USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= 0.523 K(o=0.81,f=-4!) USER MOD Set 1.2: A 72 THR OG1 : rot -58:sc= 0.282 USER MOD Set 2.1: A 65 TYR OH : rot 180:sc= 0.756 USER MOD Set 2.2: A 67 LYS NZ :NH3+ -146:sc= 0.852 (180deg=-0.00627) USER MOD Set 3.1: A 11 THR OG1 : rot -92:sc=0.000441 USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 13 GLN : amide:sc= -0.532 K(o=-0.53,f=-10!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 22 THR OG1 : rot -67:sc= 0.525 USER MOD Single : A 28 THR OG1 : rot -18:sc= 0.0562 USER MOD Single : A 33 HIS : no HD1:sc= -0.0597 K(o=-0.06,f=-0.6) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.123 F(o=-2.9!,f=-0.12) USER MOD Single : A 41 MET CE :methyl 160:sc= -0.358 (180deg=-0.921) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 0.934 (180deg=0.0573) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 83:sc= 0.414 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.469 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0592) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.157 F(o=-2.5!,f=-0.16) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 100 THR OG1 : rot -37:sc= 0.351 USER MOD Single : A 106 CYS SG : rot -160:sc= -8! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.462 -15.515 6.229 1.00 0.00 N ATOM 85 CA LEU A 6 11.130 -14.386 5.364 1.00 0.00 C ATOM 86 C LEU A 6 12.069 -14.448 4.138 1.00 0.00 C ATOM 87 O LEU A 6 13.239 -14.050 4.206 1.00 0.00 O ATOM 88 CB LEU A 6 11.263 -13.039 6.139 1.00 0.00 C ATOM 89 CG LEU A 6 10.339 -12.820 7.396 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.868 -13.165 7.097 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.866 -13.565 8.647 1.00 0.00 C ATOM 0 HA LEU A 6 10.094 -14.443 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.299 -12.940 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.070 -12.228 5.437 1.00 0.00 H new ATOM 0 HG LEU A 6 10.375 -11.756 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.267 -13.000 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.502 -12.530 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.793 -14.210 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.196 -13.384 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.910 -14.635 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.864 -13.202 8.893 1.00 0.00 H new ATOM 103 N ARG A 7 11.535 -14.994 3.037 1.00 0.00 N ATOM 104 CA ARG A 7 12.325 -15.464 1.881 1.00 0.00 C ATOM 105 C ARG A 7 12.460 -14.389 0.789 1.00 0.00 C ATOM 106 O ARG A 7 13.438 -14.386 0.033 1.00 0.00 O ATOM 107 CB ARG A 7 11.654 -16.742 1.325 1.00 0.00 C ATOM 108 CG ARG A 7 11.479 -17.851 2.386 1.00 0.00 C ATOM 109 CD ARG A 7 10.668 -19.053 1.885 1.00 0.00 C ATOM 110 NE ARG A 7 10.422 -20.031 2.973 1.00 0.00 N ATOM 111 CZ ARG A 7 9.286 -20.133 3.693 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.271 -19.295 3.502 1.00 0.00 N ATOM 113 NH2 ARG A 7 9.168 -21.078 4.617 1.00 0.00 N ATOM 0 H ARG A 7 10.530 -15.125 2.919 1.00 0.00 H new ATOM 0 HA ARG A 7 13.340 -15.684 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.677 -16.483 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.253 -17.129 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.462 -18.194 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.986 -17.430 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.716 -18.709 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.203 -19.540 1.070 1.00 0.00 H new ATOM 0 HE ARG A 7 11.176 -20.681 3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.343 -18.558 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.420 -19.389 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.937 -21.728 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.309 -21.155 5.161 1.00 0.00 H new ATOM 127 N ASP A 8 11.473 -13.493 0.720 1.00 0.00 N ATOM 128 CA ASP A 8 11.446 -12.363 -0.232 1.00 0.00 C ATOM 129 C ASP A 8 11.944 -11.098 0.479 1.00 0.00 C ATOM 130 O ASP A 8 12.164 -11.098 1.700 1.00 0.00 O ATOM 131 CB ASP A 8 10.000 -12.150 -0.763 1.00 0.00 C ATOM 132 CG ASP A 8 9.413 -13.431 -1.383 1.00 0.00 C ATOM 133 OD1 ASP A 8 9.783 -13.785 -2.511 1.00 0.00 O ATOM 134 OD2 ASP A 8 8.605 -14.113 -0.731 1.00 0.00 O ATOM 0 H ASP A 8 10.655 -13.526 1.329 1.00 0.00 H new ATOM 0 HA ASP A 8 12.096 -12.581 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.360 -11.818 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.002 -11.355 -1.509 1.00 0.00 H new ATOM 139 N ARG A 9 12.145 -10.014 -0.283 1.00 0.00 N ATOM 140 CA ARG A 9 12.595 -8.715 0.269 1.00 0.00 C ATOM 141 C ARG A 9 11.790 -7.593 -0.375 1.00 0.00 C ATOM 142 O ARG A 9 11.557 -7.611 -1.588 1.00 0.00 O ATOM 143 CB ARG A 9 14.113 -8.499 0.039 1.00 0.00 C ATOM 144 CG ARG A 9 14.984 -9.628 0.621 1.00 0.00 C ATOM 145 CD ARG A 9 16.464 -9.483 0.292 1.00 0.00 C ATOM 146 NE ARG A 9 17.232 -10.653 0.766 1.00 0.00 N ATOM 147 CZ ARG A 9 18.559 -10.786 0.707 1.00 0.00 C ATOM 148 NH1 ARG A 9 19.326 -9.816 0.226 1.00 0.00 N ATOM 149 NH2 ARG A 9 19.118 -11.902 1.144 1.00 0.00 N ATOM 0 H ARG A 9 12.003 -10.005 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 9 12.427 -8.714 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.303 -8.418 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.410 -7.552 0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.861 -9.650 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.627 -10.585 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.591 -9.373 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.855 -8.576 0.754 1.00 0.00 H new ATOM 0 HE ARG A 9 16.703 -11.425 1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.903 -8.949 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.338 -9.937 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.536 -12.650 1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.131 -12.015 1.104 1.00 0.00 H new ATOM 163 N ILE A 10 11.380 -6.616 0.443 1.00 0.00 N ATOM 164 CA ILE A 10 10.477 -5.516 0.039 1.00 0.00 C ATOM 165 C ILE A 10 10.931 -4.203 0.697 1.00 0.00 C ATOM 166 O ILE A 10 11.857 -4.204 1.504 1.00 0.00 O ATOM 167 CB ILE A 10 8.988 -5.809 0.467 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.892 -5.960 2.017 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.422 -7.056 -0.254 1.00 0.00 C ATOM 170 CD1 ILE A 10 7.488 -6.041 2.570 1.00 0.00 C ATOM 0 H ILE A 10 11.667 -6.561 1.420 1.00 0.00 H new ATOM 0 HA ILE A 10 10.520 -5.432 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 10 8.375 -4.960 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.434 -6.858 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.400 -5.114 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.394 -7.226 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.444 -6.894 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.029 -7.927 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.529 -6.145 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.943 -5.133 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.978 -6.904 2.142 1.00 0.00 H new ATOM 182 N THR A 11 10.247 -3.094 0.375 1.00 0.00 N ATOM 183 CA THR A 11 10.501 -1.782 0.986 1.00 0.00 C ATOM 184 C THR A 11 9.161 -1.068 1.240 1.00 0.00 C ATOM 185 O THR A 11 8.264 -1.105 0.382 1.00 0.00 O ATOM 186 CB THR A 11 11.424 -0.905 0.067 1.00 0.00 C ATOM 187 OG1 THR A 11 12.574 -1.673 -0.328 1.00 0.00 O ATOM 188 CG2 THR A 11 11.911 0.372 0.778 1.00 0.00 C ATOM 0 H THR A 11 9.500 -3.083 -0.319 1.00 0.00 H new ATOM 0 HA THR A 11 11.018 -1.929 1.934 1.00 0.00 H new ATOM 0 HB THR A 11 10.832 -0.609 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.303 -1.522 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.546 0.945 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.052 0.976 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.480 0.099 1.666 1.00 0.00 H new ATOM 196 N ILE A 12 9.025 -0.445 2.433 1.00 0.00 N ATOM 197 CA ILE A 12 7.837 0.343 2.802 1.00 0.00 C ATOM 198 C ILE A 12 7.841 1.666 2.033 1.00 0.00 C ATOM 199 O ILE A 12 8.833 2.397 2.061 1.00 0.00 O ATOM 200 CB ILE A 12 7.779 0.649 4.355 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.800 -0.671 5.189 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.546 1.531 4.733 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.687 -1.646 4.862 1.00 0.00 C ATOM 0 H ILE A 12 9.737 -0.477 3.163 1.00 0.00 H new ATOM 0 HA ILE A 12 6.960 -0.250 2.544 1.00 0.00 H new ATOM 0 HB ILE A 12 8.673 1.222 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.757 -1.168 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.742 -0.417 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.546 1.716 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.602 2.481 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.629 1.012 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.783 -2.532 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.723 -1.173 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.754 -1.936 3.813 1.00 0.00 H new ATOM 215 N GLN A 13 6.747 1.946 1.330 1.00 0.00 N ATOM 216 CA GLN A 13 6.501 3.249 0.727 1.00 0.00 C ATOM 217 C GLN A 13 5.594 4.049 1.652 1.00 0.00 C ATOM 218 O GLN A 13 4.454 3.658 1.932 1.00 0.00 O ATOM 219 CB GLN A 13 5.890 3.128 -0.685 1.00 0.00 C ATOM 220 CG GLN A 13 6.801 2.427 -1.710 1.00 0.00 C ATOM 221 CD GLN A 13 6.354 2.656 -3.153 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.181 2.891 -3.410 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.277 2.582 -4.097 1.00 0.00 N ATOM 0 H GLN A 13 6.002 1.269 1.163 1.00 0.00 H new ATOM 0 HA GLN A 13 7.452 3.766 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.950 2.580 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.650 4.126 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.822 2.789 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.815 1.357 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.246 2.384 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.020 2.723 -5.074 1.00 0.00 H new ATOM 232 N THR A 14 6.157 5.141 2.136 1.00 0.00 N ATOM 233 CA THR A 14 5.525 6.036 3.079 1.00 0.00 C ATOM 234 C THR A 14 4.749 7.117 2.305 1.00 0.00 C ATOM 235 O THR A 14 5.261 7.661 1.317 1.00 0.00 O ATOM 236 CB THR A 14 6.612 6.657 4.013 1.00 0.00 C ATOM 237 OG1 THR A 14 7.590 5.650 4.347 1.00 0.00 O ATOM 238 CG2 THR A 14 5.999 7.187 5.310 1.00 0.00 C ATOM 0 H THR A 14 7.097 5.436 1.873 1.00 0.00 H new ATOM 0 HA THR A 14 4.817 5.495 3.706 1.00 0.00 H new ATOM 0 HB THR A 14 7.076 7.487 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.274 6.039 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.783 7.612 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.264 7.957 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.512 6.370 5.843 1.00 0.00 H new ATOM 246 N LEU A 15 3.513 7.410 2.743 1.00 0.00 N ATOM 247 CA LEU A 15 2.594 8.313 2.027 1.00 0.00 C ATOM 248 C LEU A 15 2.762 9.734 2.578 1.00 0.00 C ATOM 249 O LEU A 15 2.259 10.051 3.662 1.00 0.00 O ATOM 250 CB LEU A 15 1.128 7.779 2.175 1.00 0.00 C ATOM 251 CG LEU A 15 -0.015 8.453 1.333 1.00 0.00 C ATOM 252 CD1 LEU A 15 -0.585 9.711 2.007 1.00 0.00 C ATOM 253 CD2 LEU A 15 0.450 8.754 -0.104 1.00 0.00 C ATOM 0 H LEU A 15 3.122 7.028 3.604 1.00 0.00 H new ATOM 0 HA LEU A 15 2.823 8.343 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.137 6.718 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.853 7.858 3.227 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.829 7.730 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.371 10.135 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.999 9.447 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.210 10.445 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.364 9.220 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.304 9.431 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.739 7.825 -0.595 1.00 0.00 H new ATOM 265 N LYS A 16 3.521 10.564 1.853 1.00 0.00 N ATOM 266 CA LYS A 16 3.739 11.966 2.203 1.00 0.00 C ATOM 267 C LYS A 16 2.604 12.834 1.632 1.00 0.00 C ATOM 268 O LYS A 16 2.510 13.023 0.413 1.00 0.00 O ATOM 269 CB LYS A 16 5.115 12.435 1.664 1.00 0.00 C ATOM 270 CG LYS A 16 5.545 13.840 2.145 1.00 0.00 C ATOM 271 CD LYS A 16 6.982 14.204 1.708 1.00 0.00 C ATOM 272 CE LYS A 16 7.521 15.472 2.393 1.00 0.00 C ATOM 273 NZ LYS A 16 8.965 15.686 2.104 1.00 0.00 N ATOM 0 H LYS A 16 4.003 10.276 1.001 1.00 0.00 H new ATOM 0 HA LYS A 16 3.738 12.071 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.874 11.713 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.085 12.431 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.851 14.583 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.478 13.884 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.645 13.368 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.001 14.346 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.951 16.338 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.374 15.394 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.291 16.550 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.512 14.872 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.103 15.786 1.078 1.00 0.00 H new ATOM 287 N GLN A 17 1.725 13.324 2.518 1.00 0.00 N ATOM 288 CA GLN A 17 0.699 14.318 2.164 1.00 0.00 C ATOM 289 C GLN A 17 1.376 15.693 2.068 1.00 0.00 C ATOM 290 O GLN A 17 1.842 16.227 3.081 1.00 0.00 O ATOM 291 CB GLN A 17 -0.428 14.342 3.234 1.00 0.00 C ATOM 292 CG GLN A 17 -1.161 13.003 3.408 1.00 0.00 C ATOM 293 CD GLN A 17 -2.241 13.044 4.489 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.971 12.786 5.662 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.465 13.360 4.098 1.00 0.00 N ATOM 0 H GLN A 17 1.704 13.044 3.499 1.00 0.00 H new ATOM 0 HA GLN A 17 0.244 14.058 1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.002 14.635 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.154 15.108 2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.616 12.719 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.436 12.229 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.649 13.567 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.224 13.396 4.778 1.00 0.00 H new ATOM 304 N THR A 18 1.478 16.231 0.845 1.00 0.00 N ATOM 305 CA THR A 18 2.116 17.526 0.569 1.00 0.00 C ATOM 306 C THR A 18 1.066 18.433 -0.075 1.00 0.00 C ATOM 307 O THR A 18 0.512 18.075 -1.098 1.00 0.00 O ATOM 308 CB THR A 18 3.344 17.340 -0.389 1.00 0.00 C ATOM 309 OG1 THR A 18 4.234 16.360 0.169 1.00 0.00 O ATOM 310 CG2 THR A 18 4.122 18.652 -0.612 1.00 0.00 C ATOM 0 H THR A 18 1.115 15.773 0.009 1.00 0.00 H new ATOM 0 HA THR A 18 2.486 17.971 1.493 1.00 0.00 H new ATOM 0 HB THR A 18 2.958 17.015 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.002 16.239 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.962 18.468 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.461 19.396 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.495 19.021 0.344 1.00 0.00 H new ATOM 318 N ARG A 19 0.770 19.590 0.529 1.00 0.00 N ATOM 319 CA ARG A 19 -0.341 20.444 0.080 1.00 0.00 C ATOM 320 C ARG A 19 0.041 21.236 -1.200 1.00 0.00 C ATOM 321 O ARG A 19 1.194 21.205 -1.645 1.00 0.00 O ATOM 322 CB ARG A 19 -0.777 21.394 1.236 1.00 0.00 C ATOM 323 CG ARG A 19 -2.253 21.853 1.184 1.00 0.00 C ATOM 324 CD ARG A 19 -2.592 22.925 2.228 1.00 0.00 C ATOM 325 NE ARG A 19 -1.913 24.205 1.940 1.00 0.00 N ATOM 326 CZ ARG A 19 -2.239 25.388 2.476 1.00 0.00 C ATOM 327 NH1 ARG A 19 -3.224 25.489 3.362 1.00 0.00 N ATOM 328 NH2 ARG A 19 -1.575 26.474 2.113 1.00 0.00 N ATOM 0 H ARG A 19 1.283 19.958 1.330 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.189 19.810 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.603 20.889 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.137 22.276 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.470 22.243 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.900 20.989 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.670 23.083 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.301 22.574 3.218 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.135 24.186 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.744 24.658 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.460 26.398 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.821 26.406 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.817 27.379 2.517 1.00 0.00 H new ATOM 342 N ASP A 20 -0.948 21.924 -1.787 1.00 0.00 N ATOM 343 CA ASP A 20 -0.747 22.801 -2.955 1.00 0.00 C ATOM 344 C ASP A 20 -0.881 24.260 -2.490 1.00 0.00 C ATOM 345 O ASP A 20 -1.456 24.529 -1.424 1.00 0.00 O ATOM 346 CB ASP A 20 -1.785 22.480 -4.064 1.00 0.00 C ATOM 347 CG ASP A 20 -1.473 23.145 -5.414 1.00 0.00 C ATOM 348 OD1 ASP A 20 -0.689 22.573 -6.207 1.00 0.00 O ATOM 349 OD2 ASP A 20 -1.987 24.253 -5.683 1.00 0.00 O ATOM 0 H ASP A 20 -1.915 21.889 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 20 0.244 22.637 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.832 21.400 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.771 22.802 -3.730 1.00 0.00 H new ATOM 354 N ILE A 21 -0.358 25.195 -3.297 1.00 0.00 N ATOM 355 CA ILE A 21 -0.437 26.648 -3.032 1.00 0.00 C ATOM 356 C ILE A 21 -1.886 27.209 -3.136 1.00 0.00 C ATOM 357 O ILE A 21 -2.130 28.371 -2.796 1.00 0.00 O ATOM 358 CB ILE A 21 0.537 27.417 -4.005 1.00 0.00 C ATOM 359 CG1 ILE A 21 0.781 28.894 -3.537 1.00 0.00 C ATOM 360 CG2 ILE A 21 0.025 27.355 -5.470 1.00 0.00 C ATOM 361 CD1 ILE A 21 1.857 29.638 -4.316 1.00 0.00 C ATOM 0 H ILE A 21 0.136 24.967 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.127 26.809 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 21 1.502 26.912 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.155 29.446 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.055 28.886 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.715 27.893 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.038 26.315 -5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.962 27.814 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.956 30.650 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.808 29.114 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.578 29.683 -5.369 1.00 0.00 H new ATOM 373 N THR A 22 -2.855 26.377 -3.569 1.00 0.00 N ATOM 374 CA THR A 22 -4.289 26.743 -3.575 1.00 0.00 C ATOM 375 C THR A 22 -4.995 25.994 -2.417 1.00 0.00 C ATOM 376 O THR A 22 -6.088 26.372 -1.984 1.00 0.00 O ATOM 377 CB THR A 22 -4.973 26.383 -4.937 1.00 0.00 C ATOM 378 OG1 THR A 22 -4.840 24.976 -5.200 1.00 0.00 O ATOM 379 CG2 THR A 22 -4.376 27.181 -6.114 1.00 0.00 C ATOM 0 H THR A 22 -2.669 25.438 -3.922 1.00 0.00 H new ATOM 0 HA THR A 22 -4.375 27.821 -3.442 1.00 0.00 H new ATOM 0 HB THR A 22 -6.026 26.649 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.897 24.760 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.881 26.899 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.513 28.248 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.312 26.961 -6.200 1.00 0.00 H new ATOM 387 N GLY A 23 -4.327 24.924 -1.937 1.00 0.00 N ATOM 388 CA GLY A 23 -4.785 24.132 -0.796 1.00 0.00 C ATOM 389 C GLY A 23 -5.449 22.827 -1.214 1.00 0.00 C ATOM 390 O GLY A 23 -6.604 22.561 -0.855 1.00 0.00 O ATOM 0 H GLY A 23 -3.451 24.590 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.937 23.912 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.490 24.722 -0.209 1.00 0.00 H new ATOM 394 N GLU A 24 -4.723 22.026 -2.012 1.00 0.00 N ATOM 395 CA GLU A 24 -5.108 20.645 -2.394 1.00 0.00 C ATOM 396 C GLU A 24 -4.112 19.675 -1.733 1.00 0.00 C ATOM 397 O GLU A 24 -2.949 20.026 -1.577 1.00 0.00 O ATOM 398 CB GLU A 24 -5.035 20.482 -3.939 1.00 0.00 C ATOM 399 CG GLU A 24 -5.753 21.563 -4.748 1.00 0.00 C ATOM 400 CD GLU A 24 -5.499 21.408 -6.255 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.211 20.608 -6.905 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.567 22.052 -6.788 1.00 0.00 O ATOM 0 H GLU A 24 -3.835 22.320 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.126 20.436 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.986 20.466 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.457 19.513 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.824 21.513 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.415 22.547 -4.421 1.00 0.00 H new ATOM 409 N ILE A 25 -4.545 18.465 -1.348 1.00 0.00 N ATOM 410 CA ILE A 25 -3.641 17.459 -0.751 1.00 0.00 C ATOM 411 C ILE A 25 -3.032 16.576 -1.867 1.00 0.00 C ATOM 412 O ILE A 25 -3.698 15.679 -2.393 1.00 0.00 O ATOM 413 CB ILE A 25 -4.385 16.576 0.321 1.00 0.00 C ATOM 414 CG1 ILE A 25 -5.064 17.477 1.406 1.00 0.00 C ATOM 415 CG2 ILE A 25 -3.426 15.545 0.980 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.119 18.368 2.194 1.00 0.00 C ATOM 0 H ILE A 25 -5.513 18.156 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.838 17.983 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.163 16.015 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.808 18.106 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.599 16.834 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.975 14.955 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.019 14.885 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.610 16.072 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.688 18.951 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.389 17.751 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.601 19.043 1.512 1.00 0.00 H new ATOM 428 N LEU A 26 -1.772 16.872 -2.236 1.00 0.00 N ATOM 429 CA LEU A 26 -1.010 16.115 -3.255 1.00 0.00 C ATOM 430 C LEU A 26 -0.244 14.996 -2.547 1.00 0.00 C ATOM 431 O LEU A 26 0.821 15.226 -1.957 1.00 0.00 O ATOM 432 CB LEU A 26 -0.016 17.037 -4.039 1.00 0.00 C ATOM 433 CG LEU A 26 -0.614 18.003 -5.115 1.00 0.00 C ATOM 434 CD1 LEU A 26 -1.728 18.898 -4.554 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.505 18.858 -5.746 1.00 0.00 C ATOM 0 H LEU A 26 -1.247 17.649 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.706 15.702 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.527 17.640 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.716 16.398 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.070 17.381 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.106 19.547 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.539 18.276 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.331 19.508 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.075 19.526 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.994 19.448 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.237 18.205 -6.221 1.00 0.00 H new ATOM 447 N GLU A 27 -0.815 13.796 -2.572 1.00 0.00 N ATOM 448 CA GLU A 27 -0.243 12.632 -1.894 1.00 0.00 C ATOM 449 C GLU A 27 0.826 11.973 -2.772 1.00 0.00 C ATOM 450 O GLU A 27 0.595 11.714 -3.956 1.00 0.00 O ATOM 451 CB GLU A 27 -1.359 11.632 -1.546 1.00 0.00 C ATOM 452 CG GLU A 27 -2.476 12.246 -0.700 1.00 0.00 C ATOM 453 CD GLU A 27 -3.539 11.225 -0.281 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.284 10.729 -1.155 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.611 10.883 0.917 1.00 0.00 O ATOM 0 H GLU A 27 -1.688 13.600 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 27 0.235 12.957 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.785 11.238 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.927 10.788 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.042 12.698 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.953 13.048 -1.264 1.00 0.00 H new ATOM 462 N THR A 28 1.983 11.696 -2.168 1.00 0.00 N ATOM 463 CA THR A 28 3.171 11.160 -2.861 1.00 0.00 C ATOM 464 C THR A 28 3.751 9.982 -2.071 1.00 0.00 C ATOM 465 O THR A 28 3.476 9.823 -0.879 1.00 0.00 O ATOM 466 CB THR A 28 4.271 12.264 -3.055 1.00 0.00 C ATOM 467 OG1 THR A 28 4.532 12.917 -1.803 1.00 0.00 O ATOM 468 CG2 THR A 28 3.856 13.309 -4.104 1.00 0.00 C ATOM 0 H THR A 28 2.130 11.838 -1.169 1.00 0.00 H new ATOM 0 HA THR A 28 2.857 10.819 -3.848 1.00 0.00 H new ATOM 0 HB THR A 28 5.174 11.770 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.793 12.743 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.645 14.054 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.694 12.817 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.935 13.798 -3.786 1.00 0.00 H new ATOM 476 N TRP A 29 4.569 9.165 -2.744 1.00 0.00 N ATOM 477 CA TRP A 29 5.162 7.953 -2.163 1.00 0.00 C ATOM 478 C TRP A 29 6.688 8.077 -2.155 1.00 0.00 C ATOM 479 O TRP A 29 7.312 8.242 -3.208 1.00 0.00 O ATOM 480 CB TRP A 29 4.711 6.705 -2.959 1.00 0.00 C ATOM 481 CG TRP A 29 3.212 6.506 -2.942 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.308 6.906 -3.892 1.00 0.00 C ATOM 483 CD2 TRP A 29 2.444 5.886 -1.901 1.00 0.00 C ATOM 484 NE1 TRP A 29 1.041 6.539 -3.519 1.00 0.00 N ATOM 485 CE2 TRP A 29 1.092 5.924 -2.296 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.769 5.302 -0.678 1.00 0.00 C ATOM 487 CZ2 TRP A 29 0.071 5.390 -1.515 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.758 4.781 0.103 1.00 0.00 C ATOM 489 CH2 TRP A 29 0.420 4.828 -0.318 1.00 0.00 C ATOM 0 H TRP A 29 4.841 9.326 -3.714 1.00 0.00 H new ATOM 0 HA TRP A 29 4.819 7.840 -1.135 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.048 6.797 -3.991 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.195 5.821 -2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.558 7.433 -4.801 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.195 6.699 -4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.796 5.258 -0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.958 5.418 -1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.000 4.330 1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.349 4.412 0.316 1.00 0.00 H new ATOM 500 N GLU A 30 7.259 8.042 -0.951 1.00 0.00 N ATOM 501 CA GLU A 30 8.711 8.029 -0.728 1.00 0.00 C ATOM 502 C GLU A 30 9.137 6.634 -0.248 1.00 0.00 C ATOM 503 O GLU A 30 8.347 5.922 0.381 1.00 0.00 O ATOM 504 CB GLU A 30 9.097 9.124 0.305 1.00 0.00 C ATOM 505 CG GLU A 30 8.372 9.012 1.666 1.00 0.00 C ATOM 506 CD GLU A 30 8.732 10.135 2.650 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.339 11.289 2.406 1.00 0.00 O ATOM 508 OE2 GLU A 30 9.416 9.877 3.665 1.00 0.00 O ATOM 0 H GLU A 30 6.719 8.021 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 30 9.233 8.249 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.172 9.079 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.883 10.102 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.295 9.021 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.615 8.051 2.120 1.00 0.00 H new ATOM 515 N ASP A 31 10.384 6.253 -0.552 1.00 0.00 N ATOM 516 CA ASP A 31 10.962 4.976 -0.099 1.00 0.00 C ATOM 517 C ASP A 31 11.355 5.100 1.383 1.00 0.00 C ATOM 518 O ASP A 31 11.943 6.108 1.794 1.00 0.00 O ATOM 519 CB ASP A 31 12.183 4.567 -0.979 1.00 0.00 C ATOM 520 CG ASP A 31 13.331 5.593 -0.978 1.00 0.00 C ATOM 521 OD1 ASP A 31 13.200 6.646 -1.648 1.00 0.00 O ATOM 522 OD2 ASP A 31 14.373 5.352 -0.325 1.00 0.00 O ATOM 0 H ASP A 31 11.020 6.816 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 31 10.218 4.187 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.566 3.609 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.844 4.418 -2.004 1.00 0.00 H new ATOM 527 N GLY A 32 11.017 4.075 2.176 1.00 0.00 N ATOM 528 CA GLY A 32 11.188 4.102 3.629 1.00 0.00 C ATOM 529 C GLY A 32 12.249 3.119 4.078 1.00 0.00 C ATOM 530 O GLY A 32 13.433 3.318 3.781 1.00 0.00 O ATOM 0 H GLY A 32 10.617 3.205 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.464 5.108 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.241 3.864 4.113 1.00 0.00 H new ATOM 534 N HIS A 33 11.835 2.038 4.762 1.00 0.00 N ATOM 535 CA HIS A 33 12.763 1.016 5.275 1.00 0.00 C ATOM 536 C HIS A 33 12.533 -0.303 4.538 1.00 0.00 C ATOM 537 O HIS A 33 11.386 -0.738 4.375 1.00 0.00 O ATOM 538 CB HIS A 33 12.570 0.813 6.797 1.00 0.00 C ATOM 539 CG HIS A 33 13.652 -0.008 7.460 1.00 0.00 C ATOM 540 ND1 HIS A 33 13.482 -1.314 7.873 1.00 0.00 N ATOM 541 CD2 HIS A 33 14.932 0.310 7.770 1.00 0.00 C ATOM 542 CE1 HIS A 33 14.609 -1.755 8.408 1.00 0.00 C ATOM 543 NE2 HIS A 33 15.500 -0.790 8.355 1.00 0.00 N ATOM 0 H HIS A 33 10.855 1.849 4.973 1.00 0.00 H new ATOM 0 HA HIS A 33 13.785 1.355 5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.526 1.790 7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.608 0.329 6.968 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.416 1.258 7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.770 -2.741 8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.460 -0.851 8.695 1.00 0.00 H new ATOM 552 N THR A 34 13.629 -0.915 4.095 1.00 0.00 N ATOM 553 CA THR A 34 13.636 -2.256 3.505 1.00 0.00 C ATOM 554 C THR A 34 13.505 -3.297 4.628 1.00 0.00 C ATOM 555 O THR A 34 14.079 -3.123 5.709 1.00 0.00 O ATOM 556 CB THR A 34 14.961 -2.483 2.695 1.00 0.00 C ATOM 557 OG1 THR A 34 15.159 -1.382 1.791 1.00 0.00 O ATOM 558 CG2 THR A 34 14.959 -3.796 1.882 1.00 0.00 C ATOM 0 H THR A 34 14.554 -0.487 4.136 1.00 0.00 H new ATOM 0 HA THR A 34 12.796 -2.360 2.818 1.00 0.00 H new ATOM 0 HB THR A 34 15.769 -2.551 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.987 -1.519 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.903 -3.893 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.837 -4.642 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.135 -3.781 1.168 1.00 0.00 H new ATOM 566 N LEU A 35 12.747 -4.371 4.370 1.00 0.00 N ATOM 567 CA LEU A 35 12.434 -5.385 5.389 1.00 0.00 C ATOM 568 C LEU A 35 12.238 -6.768 4.768 1.00 0.00 C ATOM 569 O LEU A 35 11.777 -6.900 3.623 1.00 0.00 O ATOM 570 CB LEU A 35 11.212 -4.981 6.287 1.00 0.00 C ATOM 571 CG LEU A 35 9.808 -4.811 5.602 1.00 0.00 C ATOM 572 CD1 LEU A 35 8.691 -4.633 6.653 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.794 -3.634 4.604 1.00 0.00 C ATOM 0 H LEU A 35 12.336 -4.562 3.456 1.00 0.00 H new ATOM 0 HA LEU A 35 13.301 -5.437 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.111 -5.733 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.458 -4.040 6.779 1.00 0.00 H new ATOM 0 HG LEU A 35 9.617 -5.727 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.732 -4.518 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.658 -5.509 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.894 -3.746 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.805 -3.551 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.032 -2.709 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.535 -3.809 3.824 1.00 0.00 H new ATOM 585 N TRP A 36 12.644 -7.788 5.539 1.00 0.00 N ATOM 586 CA TRP A 36 12.508 -9.196 5.159 1.00 0.00 C ATOM 587 C TRP A 36 11.016 -9.603 5.216 1.00 0.00 C ATOM 588 O TRP A 36 10.358 -9.437 6.259 1.00 0.00 O ATOM 589 CB TRP A 36 13.365 -10.104 6.091 1.00 0.00 C ATOM 590 CG TRP A 36 14.717 -9.526 6.485 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.134 -9.220 7.754 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.815 -9.164 5.622 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.393 -8.696 7.735 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.839 -8.654 6.448 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.043 -9.221 4.247 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.057 -8.199 5.943 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.254 -8.769 3.749 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.247 -8.266 4.596 1.00 0.00 C ATOM 0 H TRP A 36 13.080 -7.654 6.452 1.00 0.00 H new ATOM 0 HA TRP A 36 12.874 -9.328 4.141 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.796 -10.308 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.526 -11.060 5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.546 -9.373 8.647 1.00 0.00 H new ATOM 0 HE1 TRP A 36 16.917 -8.385 8.553 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.287 -9.611 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.822 -7.807 6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.435 -8.806 2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.181 -7.925 4.174 1.00 0.00 H new ATOM 609 N ALA A 37 10.502 -10.117 4.093 1.00 0.00 N ATOM 610 CA ALA A 37 9.093 -10.537 3.952 1.00 0.00 C ATOM 611 C ALA A 37 8.983 -11.874 3.218 1.00 0.00 C ATOM 612 O ALA A 37 9.975 -12.412 2.769 1.00 0.00 O ATOM 613 CB ALA A 37 8.306 -9.464 3.193 1.00 0.00 C ATOM 0 H ALA A 37 11.053 -10.257 3.246 1.00 0.00 H new ATOM 0 HA ALA A 37 8.675 -10.662 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.267 -9.778 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.349 -8.524 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.741 -9.325 2.203 1.00 0.00 H new ATOM 619 N SER A 38 7.772 -12.430 3.168 1.00 0.00 N ATOM 620 CA SER A 38 7.398 -13.484 2.231 1.00 0.00 C ATOM 621 C SER A 38 6.073 -13.077 1.564 1.00 0.00 C ATOM 622 O SER A 38 5.005 -13.122 2.189 1.00 0.00 O ATOM 623 CB SER A 38 7.286 -14.844 2.954 1.00 0.00 C ATOM 624 OG SER A 38 8.549 -15.259 3.449 1.00 0.00 O ATOM 0 H SER A 38 7.012 -12.154 3.790 1.00 0.00 H new ATOM 0 HA SER A 38 8.164 -13.604 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.576 -14.765 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.896 -15.595 2.267 1.00 0.00 H new ATOM 0 HG SER A 38 8.454 -16.122 3.904 1.00 0.00 H new ATOM 630 N VAL A 39 6.158 -12.655 0.295 1.00 0.00 N ATOM 631 CA VAL A 39 5.029 -12.106 -0.468 1.00 0.00 C ATOM 632 C VAL A 39 4.325 -13.248 -1.235 1.00 0.00 C ATOM 633 O VAL A 39 4.726 -13.599 -2.351 1.00 0.00 O ATOM 634 CB VAL A 39 5.560 -10.992 -1.457 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.425 -10.337 -2.282 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.370 -9.921 -0.681 1.00 0.00 C ATOM 0 H VAL A 39 7.027 -12.686 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 39 4.304 -11.649 0.205 1.00 0.00 H new ATOM 0 HB VAL A 39 6.219 -11.485 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.846 -9.580 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.921 -11.099 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.708 -9.870 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.728 -9.162 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.731 -9.454 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.221 -10.393 -0.190 1.00 0.00 H new ATOM 646 N ASN A 40 3.302 -13.862 -0.603 1.00 0.00 N ATOM 647 CA ASN A 40 2.583 -15.023 -1.169 1.00 0.00 C ATOM 648 C ASN A 40 1.127 -14.624 -1.442 1.00 0.00 C ATOM 649 O ASN A 40 0.404 -14.254 -0.513 1.00 0.00 O ATOM 650 CB ASN A 40 2.605 -16.252 -0.198 1.00 0.00 C ATOM 651 CG ASN A 40 4.003 -16.792 0.144 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.922 -15.918 0.516 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.228 -18.006 0.147 1.00 0.00 N flip ATOM 0 H ASN A 40 2.953 -13.569 0.309 1.00 0.00 H new ATOM 0 HA ASN A 40 3.085 -15.315 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.105 -15.971 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.021 -17.057 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.502 -18.660 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.140 -18.355 0.441 1.00 0.00 H new ATOM 660 N MET A 41 0.695 -14.708 -2.703 1.00 0.00 N ATOM 661 CA MET A 41 -0.691 -14.391 -3.084 1.00 0.00 C ATOM 662 C MET A 41 -1.661 -15.416 -2.466 1.00 0.00 C ATOM 663 O MET A 41 -1.277 -16.566 -2.221 1.00 0.00 O ATOM 664 CB MET A 41 -0.828 -14.370 -4.619 1.00 0.00 C ATOM 665 CG MET A 41 0.082 -13.349 -5.320 1.00 0.00 C ATOM 666 SD MET A 41 -0.169 -13.279 -7.110 1.00 0.00 S ATOM 667 CE MET A 41 -1.912 -12.868 -7.221 1.00 0.00 C ATOM 0 H MET A 41 1.286 -14.994 -3.484 1.00 0.00 H new ATOM 0 HA MET A 41 -0.945 -13.403 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.605 -15.364 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.865 -14.153 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.097 -12.361 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.123 -13.599 -5.115 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.125 -12.451 -8.205 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.508 -13.768 -7.071 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.163 -12.135 -6.454 1.00 0.00 H new ATOM 677 N VAL A 42 -2.909 -14.994 -2.230 1.00 0.00 N ATOM 678 CA VAL A 42 -3.918 -15.823 -1.553 1.00 0.00 C ATOM 679 C VAL A 42 -4.363 -16.992 -2.448 1.00 0.00 C ATOM 680 O VAL A 42 -4.342 -16.893 -3.681 1.00 0.00 O ATOM 681 CB VAL A 42 -5.176 -14.986 -1.105 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.775 -13.852 -0.125 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.982 -14.449 -2.318 1.00 0.00 C ATOM 0 H VAL A 42 -3.249 -14.071 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.443 -16.219 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.841 -15.662 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.664 -13.292 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.312 -14.284 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.068 -13.182 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.840 -13.879 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.344 -13.805 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.330 -15.286 -2.923 1.00 0.00 H new ATOM 693 N SER A 43 -4.738 -18.100 -1.811 1.00 0.00 N ATOM 694 CA SER A 43 -5.293 -19.267 -2.499 1.00 0.00 C ATOM 695 C SER A 43 -6.827 -19.100 -2.619 1.00 0.00 C ATOM 696 O SER A 43 -7.399 -18.121 -2.097 1.00 0.00 O ATOM 697 CB SER A 43 -4.904 -20.545 -1.707 1.00 0.00 C ATOM 698 OG SER A 43 -5.232 -21.726 -2.416 1.00 0.00 O ATOM 0 H SER A 43 -4.666 -18.215 -0.800 1.00 0.00 H new ATOM 0 HA SER A 43 -4.889 -19.359 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.834 -20.532 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.416 -20.545 -0.745 1.00 0.00 H new ATOM 0 HG SER A 43 -4.971 -22.508 -1.887 1.00 0.00 H new ATOM 704 N SER A 44 -7.486 -20.061 -3.294 1.00 0.00 N ATOM 705 CA SER A 44 -8.955 -20.093 -3.420 1.00 0.00 C ATOM 706 C SER A 44 -9.614 -20.119 -2.028 1.00 0.00 C ATOM 707 O SER A 44 -10.640 -19.476 -1.813 1.00 0.00 O ATOM 708 CB SER A 44 -9.392 -21.327 -4.236 1.00 0.00 C ATOM 709 OG SER A 44 -8.851 -21.303 -5.544 1.00 0.00 O ATOM 0 H SER A 44 -7.017 -20.834 -3.766 1.00 0.00 H new ATOM 0 HA SER A 44 -9.278 -19.192 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.071 -22.235 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.480 -21.361 -4.292 1.00 0.00 H new ATOM 0 HG SER A 44 -9.145 -22.099 -6.034 1.00 0.00 H new ATOM 715 N LYS A 45 -8.948 -20.831 -1.090 1.00 0.00 N ATOM 716 CA LYS A 45 -9.414 -21.038 0.298 1.00 0.00 C ATOM 717 C LYS A 45 -9.771 -19.710 0.995 1.00 0.00 C ATOM 718 O LYS A 45 -10.747 -19.647 1.735 1.00 0.00 O ATOM 719 CB LYS A 45 -8.311 -21.769 1.121 1.00 0.00 C ATOM 720 CG LYS A 45 -8.760 -22.296 2.523 1.00 0.00 C ATOM 721 CD LYS A 45 -7.743 -21.998 3.650 1.00 0.00 C ATOM 722 CE LYS A 45 -7.657 -20.497 3.984 1.00 0.00 C ATOM 723 NZ LYS A 45 -6.604 -20.198 4.980 1.00 0.00 N ATOM 0 H LYS A 45 -8.055 -21.286 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.318 -21.646 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.943 -22.612 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.472 -21.087 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.719 -21.846 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.919 -23.373 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.026 -22.551 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.758 -22.358 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.459 -19.936 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.620 -20.157 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.115 -19.319 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.036 -20.085 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.919 -20.980 5.007 1.00 0.00 H new ATOM 737 N GLU A 46 -8.963 -18.662 0.743 1.00 0.00 N ATOM 738 CA GLU A 46 -9.153 -17.339 1.372 1.00 0.00 C ATOM 739 C GLU A 46 -10.457 -16.686 0.905 1.00 0.00 C ATOM 740 O GLU A 46 -11.246 -16.222 1.728 1.00 0.00 O ATOM 741 CB GLU A 46 -7.962 -16.407 1.061 1.00 0.00 C ATOM 742 CG GLU A 46 -6.608 -16.877 1.632 1.00 0.00 C ATOM 743 CD GLU A 46 -6.550 -16.986 3.168 1.00 0.00 C ATOM 744 OE1 GLU A 46 -7.242 -16.219 3.879 1.00 0.00 O ATOM 745 OE2 GLU A 46 -5.765 -17.811 3.675 1.00 0.00 O ATOM 0 H GLU A 46 -8.168 -18.706 0.105 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.209 -17.494 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.870 -16.307 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.182 -15.415 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.369 -17.851 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.832 -16.186 1.303 1.00 0.00 H new ATOM 752 N ALA A 47 -10.656 -16.660 -0.424 1.00 0.00 N ATOM 753 CA ALA A 47 -11.851 -16.057 -1.049 1.00 0.00 C ATOM 754 C ALA A 47 -13.134 -16.785 -0.594 1.00 0.00 C ATOM 755 O ALA A 47 -14.154 -16.154 -0.302 1.00 0.00 O ATOM 756 CB ALA A 47 -11.708 -16.079 -2.581 1.00 0.00 C ATOM 0 H ALA A 47 -9.997 -17.054 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.933 -15.019 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.593 -15.633 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.825 -15.511 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.605 -17.109 -2.922 1.00 0.00 H new ATOM 762 N ILE A 48 -13.042 -18.124 -0.532 1.00 0.00 N ATOM 763 CA ILE A 48 -14.128 -19.000 -0.045 1.00 0.00 C ATOM 764 C ILE A 48 -14.435 -18.712 1.444 1.00 0.00 C ATOM 765 O ILE A 48 -15.598 -18.570 1.832 1.00 0.00 O ATOM 766 CB ILE A 48 -13.762 -20.520 -0.265 1.00 0.00 C ATOM 767 CG1 ILE A 48 -13.518 -20.813 -1.785 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.858 -21.461 0.300 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.953 -22.194 -2.095 1.00 0.00 C ATOM 0 H ILE A 48 -12.208 -18.635 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 48 -15.027 -18.785 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.841 -20.719 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.462 -20.696 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.834 -20.061 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.570 -22.498 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.971 -21.287 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.804 -21.260 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.820 -22.299 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.991 -22.314 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.644 -22.958 -1.738 1.00 0.00 H new ATOM 781 N SER A 49 -13.370 -18.563 2.247 1.00 0.00 N ATOM 782 CA SER A 49 -13.474 -18.339 3.704 1.00 0.00 C ATOM 783 C SER A 49 -13.897 -16.892 4.032 1.00 0.00 C ATOM 784 O SER A 49 -14.259 -16.594 5.173 1.00 0.00 O ATOM 785 CB SER A 49 -12.124 -18.676 4.373 1.00 0.00 C ATOM 786 OG SER A 49 -12.193 -18.583 5.784 1.00 0.00 O ATOM 0 H SER A 49 -12.409 -18.594 1.907 1.00 0.00 H new ATOM 0 HA SER A 49 -14.250 -18.996 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.821 -19.684 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.356 -17.997 4.002 1.00 0.00 H new ATOM 0 HG SER A 49 -11.320 -18.805 6.170 1.00 0.00 H new ATOM 792 N SER A 50 -13.830 -15.999 3.029 1.00 0.00 N ATOM 793 CA SER A 50 -14.235 -14.585 3.163 1.00 0.00 C ATOM 794 C SER A 50 -15.515 -14.275 2.347 1.00 0.00 C ATOM 795 O SER A 50 -16.012 -13.143 2.380 1.00 0.00 O ATOM 796 CB SER A 50 -13.071 -13.680 2.715 1.00 0.00 C ATOM 797 OG SER A 50 -11.900 -13.938 3.472 1.00 0.00 O ATOM 0 H SER A 50 -13.492 -16.237 2.097 1.00 0.00 H new ATOM 0 HA SER A 50 -14.469 -14.389 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.866 -13.843 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.356 -12.634 2.827 1.00 0.00 H new ATOM 0 HG SER A 50 -11.432 -14.713 3.097 1.00 0.00 H new ATOM 803 N GLY A 51 -16.033 -15.286 1.615 1.00 0.00 N ATOM 804 CA GLY A 51 -17.250 -15.138 0.805 1.00 0.00 C ATOM 805 C GLY A 51 -16.982 -14.389 -0.501 1.00 0.00 C ATOM 806 O GLY A 51 -16.938 -14.998 -1.571 1.00 0.00 O ATOM 0 H GLY A 51 -15.619 -16.217 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.658 -16.124 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.006 -14.604 1.381 1.00 0.00 H new ATOM 810 N ALA A 52 -16.797 -13.060 -0.402 1.00 0.00 N ATOM 811 CA ALA A 52 -16.430 -12.191 -1.542 1.00 0.00 C ATOM 812 C ALA A 52 -15.545 -11.011 -1.083 1.00 0.00 C ATOM 813 O ALA A 52 -15.208 -10.130 -1.892 1.00 0.00 O ATOM 814 CB ALA A 52 -17.704 -11.683 -2.249 1.00 0.00 C ATOM 0 H ALA A 52 -16.898 -12.552 0.477 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.847 -12.779 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.425 -11.044 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.280 -12.533 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.309 -11.113 -1.544 1.00 0.00 H new ATOM 820 N GLU A 53 -15.153 -11.004 0.215 1.00 0.00 N ATOM 821 CA GLU A 53 -14.351 -9.916 0.810 1.00 0.00 C ATOM 822 C GLU A 53 -12.911 -9.952 0.264 1.00 0.00 C ATOM 823 O GLU A 53 -12.506 -9.054 -0.484 1.00 0.00 O ATOM 824 CB GLU A 53 -14.378 -10.019 2.351 1.00 0.00 C ATOM 825 CG GLU A 53 -13.657 -8.874 3.077 1.00 0.00 C ATOM 826 CD GLU A 53 -13.742 -9.001 4.598 1.00 0.00 C ATOM 827 OE1 GLU A 53 -14.798 -8.661 5.171 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.762 -9.460 5.227 1.00 0.00 O ATOM 0 H GLU A 53 -15.384 -11.749 0.872 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.786 -8.956 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.416 -10.047 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.923 -10.964 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.610 -8.859 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.091 -7.923 2.770 1.00 0.00 H new ATOM 835 N LEU A 54 -12.150 -10.998 0.643 1.00 0.00 N ATOM 836 CA LEU A 54 -10.897 -11.351 -0.037 1.00 0.00 C ATOM 837 C LEU A 54 -11.247 -11.995 -1.385 1.00 0.00 C ATOM 838 O LEU A 54 -12.239 -12.734 -1.485 1.00 0.00 O ATOM 839 CB LEU A 54 -10.021 -12.321 0.810 1.00 0.00 C ATOM 840 CG LEU A 54 -9.507 -11.779 2.186 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.666 -12.845 2.930 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.724 -10.455 2.009 1.00 0.00 C ATOM 0 H LEU A 54 -12.387 -11.613 1.421 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.310 -10.444 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.597 -13.228 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.156 -12.609 0.212 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.377 -11.562 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.323 -12.439 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.277 -13.729 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.804 -13.119 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.380 -10.103 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.865 -10.624 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.375 -9.704 1.561 1.00 0.00 H new ATOM 854 N ALA A 55 -10.446 -11.695 -2.402 1.00 0.00 N ATOM 855 CA ALA A 55 -10.652 -12.188 -3.769 1.00 0.00 C ATOM 856 C ALA A 55 -9.414 -12.946 -4.229 1.00 0.00 C ATOM 857 O ALA A 55 -8.310 -12.684 -3.739 1.00 0.00 O ATOM 858 CB ALA A 55 -10.954 -11.011 -4.713 1.00 0.00 C ATOM 0 H ALA A 55 -9.626 -11.097 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.504 -12.867 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.105 -11.386 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.855 -10.498 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.116 -10.314 -4.706 1.00 0.00 H new ATOM 864 N ILE A 56 -9.600 -13.892 -5.152 1.00 0.00 N ATOM 865 CA ILE A 56 -8.480 -14.602 -5.775 1.00 0.00 C ATOM 866 C ILE A 56 -7.660 -13.600 -6.618 1.00 0.00 C ATOM 867 O ILE A 56 -8.162 -13.045 -7.604 1.00 0.00 O ATOM 868 CB ILE A 56 -8.977 -15.808 -6.654 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.755 -16.844 -5.777 1.00 0.00 C ATOM 870 CG2 ILE A 56 -7.803 -16.477 -7.405 1.00 0.00 C ATOM 871 CD1 ILE A 56 -10.307 -18.046 -6.535 1.00 0.00 C ATOM 0 H ILE A 56 -10.518 -14.185 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.848 -15.024 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.663 -15.418 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.091 -17.203 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.583 -16.332 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.179 -17.307 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.325 -15.746 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.076 -16.850 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.829 -18.705 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.001 -17.704 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.486 -18.589 -7.004 1.00 0.00 H new ATOM 883 N GLY A 57 -6.402 -13.376 -6.210 1.00 0.00 N ATOM 884 CA GLY A 57 -5.560 -12.315 -6.777 1.00 0.00 C ATOM 885 C GLY A 57 -5.166 -11.257 -5.745 1.00 0.00 C ATOM 886 O GLY A 57 -4.396 -10.339 -6.058 1.00 0.00 O ATOM 0 H GLY A 57 -5.943 -13.923 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.658 -12.759 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.092 -11.835 -7.598 1.00 0.00 H new ATOM 890 N THR A 58 -5.718 -11.365 -4.523 1.00 0.00 N ATOM 891 CA THR A 58 -5.271 -10.566 -3.368 1.00 0.00 C ATOM 892 C THR A 58 -3.876 -11.065 -2.942 1.00 0.00 C ATOM 893 O THR A 58 -3.707 -12.237 -2.641 1.00 0.00 O ATOM 894 CB THR A 58 -6.286 -10.675 -2.172 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.564 -10.157 -2.584 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.804 -9.944 -0.896 1.00 0.00 C ATOM 0 H THR A 58 -6.483 -12.005 -4.309 1.00 0.00 H new ATOM 0 HA THR A 58 -5.222 -9.515 -3.653 1.00 0.00 H new ATOM 0 HB THR A 58 -6.367 -11.730 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.010 -10.809 -3.164 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.549 -10.057 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.858 -10.374 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.665 -8.885 -1.114 1.00 0.00 H new ATOM 904 N VAL A 59 -2.880 -10.192 -2.987 1.00 0.00 N ATOM 905 CA VAL A 59 -1.509 -10.533 -2.609 1.00 0.00 C ATOM 906 C VAL A 59 -1.345 -10.390 -1.087 1.00 0.00 C ATOM 907 O VAL A 59 -1.521 -9.302 -0.547 1.00 0.00 O ATOM 908 CB VAL A 59 -0.482 -9.614 -3.349 1.00 0.00 C ATOM 909 CG1 VAL A 59 0.969 -10.010 -2.997 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.727 -9.639 -4.881 1.00 0.00 C ATOM 0 H VAL A 59 -2.996 -9.224 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.312 -11.565 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.631 -8.590 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.663 -9.356 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.123 -9.911 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.147 -11.043 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.002 -8.993 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.617 -10.659 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.735 -9.283 -5.094 1.00 0.00 H new ATOM 920 N ARG A 60 -1.026 -11.497 -0.395 1.00 0.00 N ATOM 921 CA ARG A 60 -0.787 -11.475 1.058 1.00 0.00 C ATOM 922 C ARG A 60 0.727 -11.429 1.317 1.00 0.00 C ATOM 923 O ARG A 60 1.511 -12.019 0.574 1.00 0.00 O ATOM 924 CB ARG A 60 -1.478 -12.680 1.740 1.00 0.00 C ATOM 925 CG ARG A 60 -1.190 -12.825 3.258 1.00 0.00 C ATOM 926 CD ARG A 60 -2.230 -13.696 3.979 1.00 0.00 C ATOM 927 NE ARG A 60 -3.509 -12.971 4.129 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.686 -13.523 4.411 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.801 -14.829 4.551 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.749 -12.750 4.576 1.00 0.00 N ATOM 0 H ARG A 60 -0.928 -12.419 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.228 -10.581 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.555 -12.592 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.163 -13.594 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.200 -13.260 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.170 -11.836 3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.392 -14.616 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.853 -13.984 4.960 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.487 -11.959 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.982 -15.428 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.709 -15.241 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.662 -11.738 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.654 -13.167 4.792 1.00 0.00 H new ATOM 944 N ILE A 61 1.135 -10.692 2.356 1.00 0.00 N ATOM 945 CA ILE A 61 2.534 -10.308 2.572 1.00 0.00 C ATOM 946 C ILE A 61 2.859 -10.450 4.066 1.00 0.00 C ATOM 947 O ILE A 61 2.339 -9.710 4.896 1.00 0.00 O ATOM 948 CB ILE A 61 2.791 -8.832 2.069 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.381 -8.693 0.559 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.270 -8.426 2.289 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.322 -7.289 0.024 1.00 0.00 C ATOM 0 H ILE A 61 0.500 -10.343 3.074 1.00 0.00 H new ATOM 0 HA ILE A 61 3.189 -10.963 1.998 1.00 0.00 H new ATOM 0 HB ILE A 61 2.172 -8.151 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.089 -9.262 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.403 -9.155 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.424 -7.406 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.508 -8.482 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.920 -9.104 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.029 -7.312 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.591 -6.714 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.303 -6.823 0.117 1.00 0.00 H new ATOM 963 N TRP A 62 3.684 -11.443 4.397 1.00 0.00 N ATOM 964 CA TRP A 62 4.079 -11.730 5.785 1.00 0.00 C ATOM 965 C TRP A 62 5.434 -11.090 6.058 1.00 0.00 C ATOM 966 O TRP A 62 6.425 -11.485 5.472 1.00 0.00 O ATOM 967 CB TRP A 62 4.133 -13.260 6.017 1.00 0.00 C ATOM 968 CG TRP A 62 2.807 -13.941 5.759 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.298 -14.322 4.546 1.00 0.00 C ATOM 970 CD2 TRP A 62 1.819 -14.302 6.736 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.073 -14.910 4.718 1.00 0.00 N ATOM 972 CE2 TRP A 62 0.758 -14.913 6.050 1.00 0.00 C ATOM 973 CE3 TRP A 62 1.744 -14.177 8.120 1.00 0.00 C ATOM 974 CZ2 TRP A 62 -0.374 -15.395 6.709 1.00 0.00 C ATOM 975 CZ3 TRP A 62 0.626 -14.650 8.777 1.00 0.00 C ATOM 976 CH2 TRP A 62 -0.423 -15.255 8.068 1.00 0.00 C ATOM 0 H TRP A 62 4.100 -12.075 3.713 1.00 0.00 H new ATOM 0 HA TRP A 62 3.344 -11.312 6.473 1.00 0.00 H new ATOM 0 HB2 TRP A 62 4.892 -13.695 5.366 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.443 -13.456 7.043 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.790 -14.180 3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.488 -15.286 3.972 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.550 -13.716 8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.182 -15.862 6.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.558 -14.553 9.850 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.286 -15.617 8.607 1.00 0.00 H new ATOM 987 N ILE A 63 5.471 -10.125 6.965 1.00 0.00 N ATOM 988 CA ILE A 63 6.679 -9.334 7.257 1.00 0.00 C ATOM 989 C ILE A 63 7.027 -9.509 8.732 1.00 0.00 C ATOM 990 O ILE A 63 6.166 -9.894 9.515 1.00 0.00 O ATOM 991 CB ILE A 63 6.455 -7.808 6.953 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.319 -7.214 7.838 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.140 -7.583 5.461 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.174 -5.713 7.748 1.00 0.00 C ATOM 0 H ILE A 63 4.663 -9.859 7.528 1.00 0.00 H new ATOM 0 HA ILE A 63 7.491 -9.687 6.621 1.00 0.00 H new ATOM 0 HB ILE A 63 7.382 -7.288 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.374 -7.675 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.505 -7.487 8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.989 -6.519 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.972 -7.941 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.235 -8.129 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.360 -5.387 8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.103 -5.238 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.954 -5.430 6.719 1.00 0.00 H new ATOM 1006 N ARG A 64 8.286 -9.248 9.107 1.00 0.00 N ATOM 1007 CA ARG A 64 8.668 -9.159 10.533 1.00 0.00 C ATOM 1008 C ARG A 64 7.803 -8.098 11.252 1.00 0.00 C ATOM 1009 O ARG A 64 7.531 -7.038 10.663 1.00 0.00 O ATOM 1010 CB ARG A 64 10.161 -8.813 10.688 1.00 0.00 C ATOM 1011 CG ARG A 64 11.129 -9.759 9.941 1.00 0.00 C ATOM 1012 CD ARG A 64 12.596 -9.484 10.299 1.00 0.00 C ATOM 1013 NE ARG A 64 12.965 -8.057 10.105 1.00 0.00 N ATOM 1014 CZ ARG A 64 13.384 -7.219 11.080 1.00 0.00 C ATOM 1015 NH1 ARG A 64 13.498 -7.634 12.333 1.00 0.00 N ATOM 1016 NH2 ARG A 64 13.660 -5.960 10.790 1.00 0.00 N ATOM 0 H ARG A 64 9.055 -9.095 8.454 1.00 0.00 H new ATOM 0 HA ARG A 64 8.494 -10.133 10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.322 -7.796 10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.413 -8.822 11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.885 -10.793 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.991 -9.643 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.773 -9.765 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.242 -10.111 9.684 1.00 0.00 H new ATOM 0 HE ARG A 64 12.897 -7.679 9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.268 -8.598 12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.816 -6.989 13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.557 -5.623 9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.976 -5.325 11.523 1.00 0.00 H new ATOM 1030 N TYR A 65 7.401 -8.403 12.509 1.00 0.00 N ATOM 1031 CA TYR A 65 6.431 -7.608 13.299 1.00 0.00 C ATOM 1032 C TYR A 65 6.791 -6.104 13.297 1.00 0.00 C ATOM 1033 O TYR A 65 7.870 -5.715 13.761 1.00 0.00 O ATOM 1034 CB TYR A 65 6.358 -8.153 14.756 1.00 0.00 C ATOM 1035 CG TYR A 65 5.259 -7.500 15.624 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.501 -6.324 16.353 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.974 -8.046 15.701 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.508 -5.718 17.095 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.982 -7.440 16.451 1.00 0.00 C ATOM 1040 CZ TYR A 65 3.257 -6.282 17.149 1.00 0.00 C ATOM 1041 OH TYR A 65 2.269 -5.669 17.883 1.00 0.00 O ATOM 0 H TYR A 65 7.747 -9.221 13.010 1.00 0.00 H new ATOM 0 HA TYR A 65 5.452 -7.708 12.831 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.186 -9.229 14.721 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.324 -8.000 15.238 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.487 -5.884 16.332 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.752 -8.957 15.165 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.714 -4.803 17.631 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.993 -7.873 16.490 1.00 0.00 H new ATOM 0 HH TYR A 65 1.442 -6.191 17.819 1.00 0.00 H new ATOM 1051 N ARG A 66 5.873 -5.280 12.763 1.00 0.00 N ATOM 1052 CA ARG A 66 6.094 -3.838 12.585 1.00 0.00 C ATOM 1053 C ARG A 66 4.781 -3.066 12.850 1.00 0.00 C ATOM 1054 O ARG A 66 3.785 -3.253 12.141 1.00 0.00 O ATOM 1055 CB ARG A 66 6.659 -3.563 11.158 1.00 0.00 C ATOM 1056 CG ARG A 66 7.005 -2.084 10.868 1.00 0.00 C ATOM 1057 CD ARG A 66 7.793 -1.881 9.555 1.00 0.00 C ATOM 1058 NE ARG A 66 9.139 -2.494 9.611 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.287 -1.833 9.895 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.289 -0.521 10.098 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.432 -2.509 9.967 1.00 0.00 N ATOM 0 H ARG A 66 4.958 -5.597 12.443 1.00 0.00 H new ATOM 0 HA ARG A 66 6.831 -3.485 13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.556 -4.165 11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.929 -3.901 10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.082 -1.506 10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.589 -1.686 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.233 -2.314 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.889 -0.814 9.352 1.00 0.00 H new ATOM 0 HE ARG A 66 9.208 -3.494 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.417 0.005 10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.162 -0.039 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.440 -3.517 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.301 -2.019 10.180 1.00 0.00 H new ATOM 1075 N LYS A 67 4.806 -2.194 13.883 1.00 0.00 N ATOM 1076 CA LYS A 67 3.649 -1.363 14.316 1.00 0.00 C ATOM 1077 C LYS A 67 3.486 -0.089 13.449 1.00 0.00 C ATOM 1078 O LYS A 67 2.597 0.729 13.701 1.00 0.00 O ATOM 1079 CB LYS A 67 3.838 -0.935 15.798 1.00 0.00 C ATOM 1080 CG LYS A 67 3.846 -2.088 16.825 1.00 0.00 C ATOM 1081 CD LYS A 67 4.119 -1.573 18.263 1.00 0.00 C ATOM 1082 CE LYS A 67 4.064 -2.671 19.342 1.00 0.00 C ATOM 1083 NZ LYS A 67 2.710 -3.269 19.491 1.00 0.00 N ATOM 0 H LYS A 67 5.640 -2.042 14.450 1.00 0.00 H new ATOM 0 HA LYS A 67 2.753 -1.972 14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.777 -0.388 15.884 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.040 -0.241 16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.887 -2.605 16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.608 -2.817 16.548 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.101 -1.101 18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.389 -0.802 18.507 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.777 -3.456 19.091 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.377 -2.250 20.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.550 -3.522 20.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.991 -2.581 19.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.641 -4.123 18.901 1.00 0.00 H new ATOM 1097 N ASP A 68 4.342 0.061 12.429 1.00 0.00 N ATOM 1098 CA ASP A 68 4.413 1.275 11.583 1.00 0.00 C ATOM 1099 C ASP A 68 3.516 1.135 10.342 1.00 0.00 C ATOM 1100 O ASP A 68 3.213 2.133 9.682 1.00 0.00 O ATOM 1101 CB ASP A 68 5.877 1.528 11.144 1.00 0.00 C ATOM 1102 CG ASP A 68 6.852 1.665 12.326 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.397 0.638 12.785 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.076 2.793 12.807 1.00 0.00 O ATOM 0 H ASP A 68 5.013 -0.659 12.160 1.00 0.00 H new ATOM 0 HA ASP A 68 4.058 2.121 12.171 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.204 0.708 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.917 2.436 10.542 1.00 0.00 H new ATOM 1109 N ILE A 69 3.123 -0.111 10.022 1.00 0.00 N ATOM 1110 CA ILE A 69 2.295 -0.414 8.841 1.00 0.00 C ATOM 1111 C ILE A 69 0.885 0.171 9.014 1.00 0.00 C ATOM 1112 O ILE A 69 0.309 0.103 10.103 1.00 0.00 O ATOM 1113 CB ILE A 69 2.187 -1.959 8.574 1.00 0.00 C ATOM 1114 CG1 ILE A 69 3.594 -2.622 8.628 1.00 0.00 C ATOM 1115 CG2 ILE A 69 1.486 -2.237 7.213 1.00 0.00 C ATOM 1116 CD1 ILE A 69 4.591 -2.069 7.630 1.00 0.00 C ATOM 0 H ILE A 69 3.369 -0.933 10.573 1.00 0.00 H new ATOM 0 HA ILE A 69 2.785 0.044 7.982 1.00 0.00 H new ATOM 0 HB ILE A 69 1.575 -2.402 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.000 -2.501 9.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.483 -3.693 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.422 -3.313 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.482 -1.812 7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.062 -1.781 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.542 -2.589 7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.212 -2.215 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.737 -1.004 7.813 1.00 0.00 H new ATOM 1128 N ASN A 70 0.355 0.737 7.928 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.973 1.371 7.893 1.00 0.00 C ATOM 1130 C ASN A 70 -1.600 1.130 6.504 1.00 0.00 C ATOM 1131 O ASN A 70 -0.921 0.657 5.585 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.814 2.889 8.193 1.00 0.00 C ATOM 1133 CG ASN A 70 -2.136 3.635 8.417 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.725 4.178 7.478 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.622 3.652 9.650 1.00 0.00 N ATOM 0 H ASN A 70 0.841 0.771 7.032 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.633 0.942 8.647 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.190 3.008 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.283 3.357 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.506 4.123 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.112 3.194 10.406 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.901 1.452 6.359 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.620 1.343 5.074 1.00 0.00 C ATOM 1144 C ALA A 71 -3.042 2.291 4.006 1.00 0.00 C ATOM 1145 O ALA A 71 -3.139 2.020 2.810 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.119 1.617 5.280 1.00 0.00 C ATOM 0 H ALA A 71 -3.481 1.793 7.126 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.488 0.325 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.639 1.534 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.529 0.890 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.254 2.622 5.680 1.00 0.00 H new ATOM 1152 N THR A 72 -2.435 3.406 4.460 1.00 0.00 N ATOM 1153 CA THR A 72 -1.777 4.388 3.580 1.00 0.00 C ATOM 1154 C THR A 72 -0.257 4.142 3.532 1.00 0.00 C ATOM 1155 O THR A 72 0.561 5.051 3.697 1.00 0.00 O ATOM 1156 CB THR A 72 -2.127 5.851 4.029 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.843 6.031 5.423 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.608 6.176 3.777 1.00 0.00 C ATOM 0 H THR A 72 -2.388 3.650 5.449 1.00 0.00 H new ATOM 0 HA THR A 72 -2.155 4.262 2.565 1.00 0.00 H new ATOM 0 HB THR A 72 -1.511 6.527 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.351 5.378 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.817 7.196 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.826 6.080 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.233 5.483 4.340 1.00 0.00 H new ATOM 1166 N SER A 73 0.100 2.873 3.321 1.00 0.00 N ATOM 1167 CA SER A 73 1.467 2.440 3.002 1.00 0.00 C ATOM 1168 C SER A 73 1.377 1.502 1.782 1.00 0.00 C ATOM 1169 O SER A 73 0.305 0.951 1.513 1.00 0.00 O ATOM 1170 CB SER A 73 2.106 1.710 4.217 1.00 0.00 C ATOM 1171 OG SER A 73 2.010 2.483 5.409 1.00 0.00 O ATOM 0 H SER A 73 -0.565 2.101 3.368 1.00 0.00 H new ATOM 0 HA SER A 73 2.100 3.298 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.611 0.750 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.154 1.499 4.004 1.00 0.00 H new ATOM 0 HG SER A 73 2.420 1.992 6.151 1.00 0.00 H new ATOM 1177 N ARG A 74 2.462 1.353 1.011 1.00 0.00 N ATOM 1178 CA ARG A 74 2.529 0.332 -0.061 1.00 0.00 C ATOM 1179 C ARG A 74 3.776 -0.529 0.116 1.00 0.00 C ATOM 1180 O ARG A 74 4.737 -0.134 0.775 1.00 0.00 O ATOM 1181 CB ARG A 74 2.503 0.953 -1.487 1.00 0.00 C ATOM 1182 CG ARG A 74 1.198 1.683 -1.868 1.00 0.00 C ATOM 1183 CD ARG A 74 1.131 2.084 -3.357 1.00 0.00 C ATOM 1184 NE ARG A 74 2.303 2.864 -3.810 1.00 0.00 N ATOM 1185 CZ ARG A 74 2.401 3.517 -4.983 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.357 3.657 -5.785 1.00 0.00 N ATOM 1187 NH2 ARG A 74 3.551 4.070 -5.323 1.00 0.00 N ATOM 0 H ARG A 74 3.305 1.920 1.103 1.00 0.00 H new ATOM 0 HA ARG A 74 1.636 -0.287 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.331 1.656 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.681 0.160 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.349 1.040 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.099 2.578 -1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.047 1.183 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.227 2.669 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 74 3.104 2.911 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.453 3.266 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.456 4.156 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.355 4.000 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.635 4.567 -6.210 1.00 0.00 H new ATOM 1201 N ILE A 75 3.733 -1.715 -0.491 1.00 0.00 N ATOM 1202 CA ILE A 75 4.796 -2.715 -0.422 1.00 0.00 C ATOM 1203 C ILE A 75 5.442 -2.863 -1.808 1.00 0.00 C ATOM 1204 O ILE A 75 4.895 -3.538 -2.682 1.00 0.00 O ATOM 1205 CB ILE A 75 4.215 -4.097 0.058 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.562 -3.989 1.481 1.00 0.00 C ATOM 1207 CG2 ILE A 75 5.291 -5.206 0.006 1.00 0.00 C ATOM 1208 CD1 ILE A 75 4.505 -3.582 2.600 1.00 0.00 C ATOM 0 H ILE A 75 2.939 -2.013 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 75 5.550 -2.392 0.296 1.00 0.00 H new ATOM 0 HB ILE A 75 3.422 -4.377 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.747 -3.267 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.120 -4.953 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.859 -6.148 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.650 -5.317 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.124 -4.936 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.956 -3.537 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.308 -4.314 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.929 -2.602 2.380 1.00 0.00 H new ATOM 1220 N LYS A 76 6.587 -2.203 -2.020 1.00 0.00 N ATOM 1221 CA LYS A 76 7.337 -2.344 -3.276 1.00 0.00 C ATOM 1222 C LYS A 76 8.348 -3.492 -3.140 1.00 0.00 C ATOM 1223 O LYS A 76 9.296 -3.399 -2.356 1.00 0.00 O ATOM 1224 CB LYS A 76 8.050 -1.023 -3.645 1.00 0.00 C ATOM 1225 CG LYS A 76 8.734 -1.063 -5.028 1.00 0.00 C ATOM 1226 CD LYS A 76 9.495 0.234 -5.360 1.00 0.00 C ATOM 1227 CE LYS A 76 10.640 0.528 -4.374 1.00 0.00 C ATOM 1228 NZ LYS A 76 11.642 -0.564 -4.331 1.00 0.00 N ATOM 0 H LYS A 76 7.013 -1.570 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 76 6.640 -2.576 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.324 -0.210 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.797 -0.797 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.428 -1.903 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.981 -1.242 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.901 0.162 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.796 1.070 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.132 1.458 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.227 0.679 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.450 -0.271 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.209 -1.416 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.970 -0.772 -5.296 1.00 0.00 H new ATOM 1242 N VAL A 77 8.131 -4.568 -3.910 1.00 0.00 N ATOM 1243 CA VAL A 77 8.920 -5.807 -3.817 1.00 0.00 C ATOM 1244 C VAL A 77 10.289 -5.631 -4.500 1.00 0.00 C ATOM 1245 O VAL A 77 10.369 -5.459 -5.724 1.00 0.00 O ATOM 1246 CB VAL A 77 8.138 -7.031 -4.426 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.955 -8.344 -4.342 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.773 -7.206 -3.729 1.00 0.00 C ATOM 0 H VAL A 77 7.399 -4.604 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 77 9.090 -6.018 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 77 7.973 -6.813 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.376 -9.161 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.887 -8.228 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.177 -8.568 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.249 -8.057 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.928 -7.381 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.177 -6.304 -3.865 1.00 0.00 H new ATOM 1258 N SER A 78 11.349 -5.645 -3.677 1.00 0.00 N ATOM 1259 CA SER A 78 12.744 -5.516 -4.130 1.00 0.00 C ATOM 1260 C SER A 78 13.225 -6.806 -4.838 1.00 0.00 C ATOM 1261 O SER A 78 14.070 -6.745 -5.737 1.00 0.00 O ATOM 1262 CB SER A 78 13.653 -5.175 -2.923 1.00 0.00 C ATOM 1263 OG SER A 78 14.991 -4.924 -3.330 1.00 0.00 O ATOM 0 H SER A 78 11.261 -5.747 -2.666 1.00 0.00 H new ATOM 0 HA SER A 78 12.802 -4.706 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.259 -4.300 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.637 -6.000 -2.211 1.00 0.00 H new ATOM 0 HG SER A 78 15.537 -4.711 -2.545 1.00 0.00 H new ATOM 1269 N THR A 79 12.665 -7.958 -4.421 1.00 0.00 N ATOM 1270 CA THR A 79 12.947 -9.274 -5.019 1.00 0.00 C ATOM 1271 C THR A 79 11.885 -10.287 -4.545 1.00 0.00 C ATOM 1272 O THR A 79 11.462 -10.258 -3.374 1.00 0.00 O ATOM 1273 CB THR A 79 14.393 -9.796 -4.709 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.673 -10.982 -5.475 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.620 -10.080 -3.218 1.00 0.00 C ATOM 0 H THR A 79 11.997 -8.000 -3.651 1.00 0.00 H new ATOM 0 HA THR A 79 12.897 -9.160 -6.102 1.00 0.00 H new ATOM 0 HB THR A 79 15.078 -8.997 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.579 -11.296 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.638 -10.438 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.469 -9.165 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.914 -10.839 -2.881 1.00 0.00 H new ATOM 1283 N GLY A 80 11.439 -11.147 -5.470 1.00 0.00 N ATOM 1284 CA GLY A 80 10.371 -12.117 -5.208 1.00 0.00 C ATOM 1285 C GLY A 80 9.616 -12.476 -6.476 1.00 0.00 C ATOM 1286 O GLY A 80 10.115 -12.194 -7.568 1.00 0.00 O ATOM 0 H GLY A 80 11.809 -11.189 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.798 -13.019 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.677 -11.705 -4.475 1.00 0.00 H new ATOM 1290 N PRO A 81 8.389 -13.088 -6.383 1.00 0.00 N ATOM 1291 CA PRO A 81 7.589 -13.450 -7.579 1.00 0.00 C ATOM 1292 C PRO A 81 7.041 -12.195 -8.293 1.00 0.00 C ATOM 1293 O PRO A 81 6.796 -12.206 -9.504 1.00 0.00 O ATOM 1294 CB PRO A 81 6.451 -14.329 -6.995 1.00 0.00 C ATOM 1295 CG PRO A 81 6.292 -13.850 -5.578 1.00 0.00 C ATOM 1296 CD PRO A 81 7.688 -13.465 -5.118 1.00 0.00 C ATOM 0 HA PRO A 81 8.170 -13.969 -8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.527 -14.209 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.710 -15.387 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.613 -12.999 -5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.872 -14.632 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.662 -12.635 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.187 -14.294 -4.616 1.00 0.00 H new ATOM 1304 N LEU A 82 6.878 -11.109 -7.513 1.00 0.00 N ATOM 1305 CA LEU A 82 6.336 -9.829 -7.984 1.00 0.00 C ATOM 1306 C LEU A 82 7.429 -8.739 -7.905 1.00 0.00 C ATOM 1307 O LEU A 82 7.132 -7.568 -7.651 1.00 0.00 O ATOM 1308 CB LEU A 82 5.102 -9.455 -7.111 1.00 0.00 C ATOM 1309 CG LEU A 82 3.968 -10.529 -7.035 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.836 -10.070 -6.102 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.427 -10.889 -8.438 1.00 0.00 C ATOM 0 H LEU A 82 7.124 -11.101 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 82 6.019 -9.911 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.447 -9.247 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.674 -8.530 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 82 4.403 -11.436 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.060 -10.835 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.233 -9.910 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.411 -9.139 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.641 -11.638 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.022 -9.995 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.237 -11.288 -9.049 1.00 0.00 H new ATOM 1323 N ALA A 83 8.696 -9.147 -8.144 1.00 0.00 N ATOM 1324 CA ALA A 83 9.875 -8.255 -8.065 1.00 0.00 C ATOM 1325 C ALA A 83 9.777 -7.097 -9.084 1.00 0.00 C ATOM 1326 O ALA A 83 9.871 -7.319 -10.301 1.00 0.00 O ATOM 1327 CB ALA A 83 11.154 -9.067 -8.296 1.00 0.00 C ATOM 0 H ALA A 83 8.930 -10.107 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 83 9.904 -7.813 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.020 -8.407 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.236 -9.842 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.118 -9.531 -9.282 1.00 0.00 H new ATOM 1333 N GLY A 84 9.552 -5.872 -8.566 1.00 0.00 N ATOM 1334 CA GLY A 84 9.408 -4.663 -9.395 1.00 0.00 C ATOM 1335 C GLY A 84 8.037 -4.012 -9.241 1.00 0.00 C ATOM 1336 O GLY A 84 7.868 -2.826 -9.546 1.00 0.00 O ATOM 0 H GLY A 84 9.466 -5.696 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.181 -3.945 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.569 -4.922 -10.441 1.00 0.00 H new ATOM 1340 N ARG A 85 7.043 -4.800 -8.779 1.00 0.00 N ATOM 1341 CA ARG A 85 5.671 -4.309 -8.511 1.00 0.00 C ATOM 1342 C ARG A 85 5.592 -3.602 -7.154 1.00 0.00 C ATOM 1343 O ARG A 85 6.484 -3.741 -6.308 1.00 0.00 O ATOM 1344 CB ARG A 85 4.636 -5.467 -8.543 1.00 0.00 C ATOM 1345 CG ARG A 85 4.512 -6.170 -9.904 1.00 0.00 C ATOM 1346 CD ARG A 85 3.397 -7.226 -9.927 1.00 0.00 C ATOM 1347 NE ARG A 85 3.281 -7.887 -11.240 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.389 -8.838 -11.550 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.457 -9.207 -10.678 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.421 -9.388 -12.753 1.00 0.00 N ATOM 0 H ARG A 85 7.167 -5.793 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 85 5.430 -3.598 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.912 -6.205 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.660 -5.073 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.318 -5.426 -10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.462 -6.645 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.594 -7.976 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.447 -6.754 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 85 3.931 -7.597 -11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.414 -8.765 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.784 -9.932 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.119 -9.087 -13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.747 -10.113 -13.001 1.00 0.00 H new ATOM 1364 N VAL A 86 4.484 -2.873 -6.954 1.00 0.00 N ATOM 1365 CA VAL A 86 4.194 -2.171 -5.705 1.00 0.00 C ATOM 1366 C VAL A 86 2.723 -2.434 -5.296 1.00 0.00 C ATOM 1367 O VAL A 86 1.768 -1.884 -5.864 1.00 0.00 O ATOM 1368 CB VAL A 86 4.536 -0.640 -5.806 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.848 0.046 -7.010 1.00 0.00 C ATOM 1370 CG2 VAL A 86 4.219 0.075 -4.483 1.00 0.00 C ATOM 0 H VAL A 86 3.761 -2.756 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 86 4.837 -2.561 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 86 5.608 -0.559 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.119 1.102 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.173 -0.431 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.766 -0.049 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.463 1.133 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.159 -0.035 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.810 -0.366 -3.680 1.00 0.00 H new ATOM 1380 N LEU A 87 2.578 -3.341 -4.326 1.00 0.00 N ATOM 1381 CA LEU A 87 1.290 -3.845 -3.852 1.00 0.00 C ATOM 1382 C LEU A 87 0.642 -2.847 -2.875 1.00 0.00 C ATOM 1383 O LEU A 87 1.219 -2.500 -1.840 1.00 0.00 O ATOM 1384 CB LEU A 87 1.460 -5.250 -3.196 1.00 0.00 C ATOM 1385 CG LEU A 87 2.005 -6.402 -4.115 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.235 -6.489 -5.440 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.514 -6.289 -4.365 1.00 0.00 C ATOM 0 H LEU A 87 3.373 -3.754 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 87 0.624 -3.953 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.133 -5.148 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.492 -5.560 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 87 1.837 -7.330 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.643 -7.298 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.182 -6.684 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.332 -5.547 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.839 -7.109 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.732 -5.339 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.045 -6.339 -3.414 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.560 -2.387 -3.239 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.348 -1.424 -2.457 1.00 0.00 C ATOM 1401 C ASN A 88 -2.104 -2.193 -1.368 1.00 0.00 C ATOM 1402 O ASN A 88 -2.737 -3.213 -1.671 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.368 -0.674 -3.368 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.755 0.176 -4.494 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.663 -0.272 -5.115 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.283 1.239 -4.824 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.022 -2.678 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.680 -0.685 -2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.037 -1.409 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.980 -0.026 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.118 1.566 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.885 1.792 -5.583 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.090 -1.676 -0.132 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.638 -2.389 1.038 1.00 0.00 C ATOM 1415 C ILE A 89 -4.164 -2.178 1.077 1.00 0.00 C ATOM 1416 O ILE A 89 -4.647 -1.136 1.540 1.00 0.00 O ATOM 1417 CB ILE A 89 -1.958 -1.900 2.380 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.410 -2.114 2.308 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.564 -2.603 3.627 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.368 -1.634 3.527 1.00 0.00 C ATOM 0 H ILE A 89 -1.702 -0.759 0.088 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.421 -3.453 0.945 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.160 -0.834 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.212 -3.176 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.028 -1.598 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.069 -2.238 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.630 -2.384 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.419 -3.680 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.431 -1.827 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.209 -0.564 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.022 -2.167 4.413 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.909 -3.156 0.518 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.387 -3.107 0.410 1.00 0.00 C ATOM 1434 C ILE A 90 -7.059 -3.515 1.746 1.00 0.00 C ATOM 1435 O ILE A 90 -7.796 -4.503 1.840 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.920 -3.997 -0.792 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.377 -5.471 -0.708 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.559 -3.344 -2.150 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.115 -6.471 -1.583 1.00 0.00 C ATOM 0 H ILE A 90 -4.503 -4.006 0.127 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.661 -2.074 0.196 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.006 -4.050 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.324 -5.472 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.432 -5.805 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.931 -3.967 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.015 -2.356 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.476 -3.250 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.672 -7.459 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.165 -6.505 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.039 -6.167 -2.627 1.00 0.00 H new ATOM 1451 N GLY A 91 -6.797 -2.710 2.775 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.241 -2.978 4.136 1.00 0.00 C ATOM 1453 C GLY A 91 -6.245 -2.423 5.127 1.00 0.00 C ATOM 1454 O GLY A 91 -5.457 -1.533 4.784 1.00 0.00 O ATOM 0 H GLY A 91 -6.265 -1.845 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.220 -2.528 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.354 -4.052 4.285 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.267 -2.945 6.357 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.352 -2.520 7.437 1.00 0.00 C ATOM 1460 C GLN A 92 -4.636 -3.758 8.018 1.00 0.00 C ATOM 1461 O GLN A 92 -5.245 -4.833 8.086 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.129 -1.739 8.541 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.810 -0.453 8.026 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.514 0.365 9.108 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.993 -0.174 10.099 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -7.588 1.674 8.920 1.00 0.00 N ATOM 0 H GLN A 92 -6.919 -3.677 6.639 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.601 -1.843 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.887 -2.393 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -5.439 -1.478 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.059 0.174 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.538 -0.723 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.179 2.093 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.054 2.263 9.611 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.334 -3.622 8.447 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.483 -4.769 8.888 1.00 0.00 C ATOM 1477 C PRO A 93 -3.071 -5.548 10.098 1.00 0.00 C ATOM 1478 O PRO A 93 -3.511 -4.936 11.081 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.139 -4.079 9.266 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.513 -2.660 9.558 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.579 -2.336 8.546 1.00 0.00 C ATOM 0 HA PRO A 93 -2.393 -5.528 8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.679 -4.554 10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.419 -4.139 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.886 -2.549 10.576 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.655 -1.995 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.216 -1.516 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.152 -2.041 7.587 1.00 0.00 H new ATOM 1489 N LEU A 94 -3.055 -6.889 10.008 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.510 -7.801 11.081 1.00 0.00 C ATOM 1491 C LEU A 94 -2.261 -8.450 11.727 1.00 0.00 C ATOM 1492 O LEU A 94 -1.591 -9.258 11.077 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.478 -8.875 10.468 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.351 -9.756 11.429 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.539 -10.873 12.110 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.096 -8.881 12.455 1.00 0.00 C ATOM 0 H LEU A 94 -2.722 -7.380 9.178 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.060 -7.263 11.853 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.157 -8.356 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.876 -9.550 9.860 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.097 -10.258 10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.192 -11.451 12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.113 -11.528 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.736 -10.431 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.694 -9.516 13.109 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.373 -8.324 13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.749 -8.183 11.932 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.896 -8.078 12.994 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.742 -8.682 13.705 1.00 0.00 C ATOM 1510 C PRO A 95 -0.987 -10.159 14.066 1.00 0.00 C ATOM 1511 O PRO A 95 -2.111 -10.543 14.429 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.587 -7.800 14.970 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.961 -7.247 15.201 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.554 -7.033 13.826 1.00 0.00 C ATOM 0 HA PRO A 95 0.158 -8.700 13.090 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.244 -8.384 15.824 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.142 -7.005 14.814 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.568 -7.938 15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.918 -6.311 15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.638 -7.151 13.834 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.345 -6.031 13.451 1.00 0.00 H new ATOM 1522 N ASP A 96 0.079 -10.965 13.966 1.00 0.00 N ATOM 1523 CA ASP A 96 0.045 -12.401 14.289 1.00 0.00 C ATOM 1524 C ASP A 96 -0.207 -12.634 15.799 1.00 0.00 C ATOM 1525 O ASP A 96 0.201 -11.819 16.631 1.00 0.00 O ATOM 1526 CB ASP A 96 1.379 -13.044 13.844 1.00 0.00 C ATOM 1527 CG ASP A 96 1.613 -14.473 14.364 1.00 0.00 C ATOM 1528 OD1 ASP A 96 0.769 -15.355 14.114 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.647 -14.704 15.015 1.00 0.00 O ATOM 0 H ASP A 96 0.995 -10.639 13.657 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.782 -12.869 13.754 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.413 -13.059 12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.201 -12.411 14.180 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.851 -13.778 16.119 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.221 -14.176 17.497 1.00 0.00 C ATOM 1536 C ALA A 97 0.015 -14.459 18.379 1.00 0.00 C ATOM 1537 O ALA A 97 -0.029 -14.276 19.597 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.148 -15.408 17.452 1.00 0.00 C ATOM 0 H ALA A 97 -1.133 -14.462 15.417 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.748 -13.338 17.953 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.418 -15.698 18.468 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.051 -15.164 16.892 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.631 -16.235 16.964 1.00 0.00 H new ATOM 1544 N ALA A 98 1.109 -14.921 17.754 1.00 0.00 N ATOM 1545 CA ALA A 98 2.403 -15.133 18.447 1.00 0.00 C ATOM 1546 C ALA A 98 3.292 -13.875 18.354 1.00 0.00 C ATOM 1547 O ALA A 98 4.346 -13.813 19.000 1.00 0.00 O ATOM 1548 CB ALA A 98 3.129 -16.354 17.854 1.00 0.00 C ATOM 0 H ALA A 98 1.129 -15.158 16.762 1.00 0.00 H new ATOM 0 HA ALA A 98 2.201 -15.323 19.501 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.078 -16.500 18.371 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.509 -17.242 17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.316 -16.187 16.793 1.00 0.00 H new ATOM 1554 N ARG A 99 2.855 -12.888 17.525 1.00 0.00 N ATOM 1555 CA ARG A 99 3.566 -11.605 17.289 1.00 0.00 C ATOM 1556 C ARG A 99 4.958 -11.826 16.647 1.00 0.00 C ATOM 1557 O ARG A 99 5.811 -10.935 16.685 1.00 0.00 O ATOM 1558 CB ARG A 99 3.684 -10.733 18.590 1.00 0.00 C ATOM 1559 CG ARG A 99 2.361 -10.141 19.152 1.00 0.00 C ATOM 1560 CD ARG A 99 1.436 -11.178 19.813 1.00 0.00 C ATOM 1561 NE ARG A 99 0.256 -10.554 20.439 1.00 0.00 N ATOM 1562 CZ ARG A 99 -0.578 -11.153 21.304 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -0.428 -12.424 21.644 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -1.579 -10.469 21.820 1.00 0.00 N ATOM 0 H ARG A 99 1.987 -12.964 16.996 1.00 0.00 H new ATOM 0 HA ARG A 99 2.953 -11.047 16.581 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.143 -11.343 19.369 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.367 -9.908 18.387 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.603 -9.369 19.882 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.821 -9.654 18.340 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.109 -11.900 19.064 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.995 -11.732 20.567 1.00 0.00 H new ATOM 0 HE ARG A 99 0.056 -9.584 20.194 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.335 -12.972 21.246 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.076 -12.855 22.304 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.716 -9.492 21.562 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.217 -10.917 22.478 1.00 0.00 H new ATOM 1578 N THR A 100 5.164 -13.002 16.019 1.00 0.00 N ATOM 1579 CA THR A 100 6.451 -13.343 15.385 1.00 0.00 C ATOM 1580 C THR A 100 6.479 -12.874 13.911 1.00 0.00 C ATOM 1581 O THR A 100 7.485 -13.056 13.214 1.00 0.00 O ATOM 1582 CB THR A 100 6.773 -14.876 15.511 1.00 0.00 C ATOM 1583 OG1 THR A 100 8.117 -15.148 15.073 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.795 -15.759 14.727 1.00 0.00 C ATOM 0 H THR A 100 4.455 -13.730 15.938 1.00 0.00 H new ATOM 0 HA THR A 100 7.237 -12.810 15.920 1.00 0.00 H new ATOM 0 HB THR A 100 6.666 -15.124 16.567 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.333 -14.578 14.305 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.069 -16.806 14.853 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.783 -15.601 15.100 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.836 -15.498 13.670 1.00 0.00 H new ATOM 1592 N ARG A 101 5.365 -12.255 13.455 1.00 0.00 N ATOM 1593 CA ARG A 101 5.284 -11.579 12.151 1.00 0.00 C ATOM 1594 C ARG A 101 4.012 -10.707 12.088 1.00 0.00 C ATOM 1595 O ARG A 101 3.279 -10.570 13.083 1.00 0.00 O ATOM 1596 CB ARG A 101 5.359 -12.573 10.932 1.00 0.00 C ATOM 1597 CG ARG A 101 4.131 -13.482 10.683 1.00 0.00 C ATOM 1598 CD ARG A 101 3.987 -14.610 11.704 1.00 0.00 C ATOM 1599 NE ARG A 101 2.845 -15.503 11.410 1.00 0.00 N ATOM 1600 CZ ARG A 101 2.731 -16.775 11.835 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.712 -17.353 12.519 1.00 0.00 N ATOM 1602 NH2 ARG A 101 1.630 -17.464 11.573 1.00 0.00 N ATOM 0 H ARG A 101 4.496 -12.214 13.988 1.00 0.00 H new ATOM 0 HA ARG A 101 6.162 -10.939 12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.534 -11.988 10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.230 -13.213 11.071 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.228 -12.871 10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.206 -13.914 9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.906 -15.196 11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.861 -14.181 12.698 1.00 0.00 H new ATOM 0 HE ARG A 101 2.086 -15.126 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.564 -16.832 12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.613 -18.318 12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.869 -17.030 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.543 -18.428 11.895 1.00 0.00 H new ATOM 1616 N LEU A 102 3.763 -10.121 10.917 1.00 0.00 N ATOM 1617 CA LEU A 102 2.636 -9.225 10.671 1.00 0.00 C ATOM 1618 C LEU A 102 2.005 -9.659 9.333 1.00 0.00 C ATOM 1619 O LEU A 102 2.716 -9.746 8.325 1.00 0.00 O ATOM 1620 CB LEU A 102 3.143 -7.733 10.610 1.00 0.00 C ATOM 1621 CG LEU A 102 2.249 -6.633 11.266 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.791 -6.699 10.780 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.341 -6.688 12.803 1.00 0.00 C ATOM 0 H LEU A 102 4.352 -10.260 10.096 1.00 0.00 H new ATOM 0 HA LEU A 102 1.896 -9.280 11.470 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.124 -7.693 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.283 -7.469 9.562 1.00 0.00 H new ATOM 0 HG LEU A 102 2.638 -5.667 10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.210 -5.914 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.761 -6.558 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.368 -7.672 11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.709 -5.911 13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.005 -7.664 13.153 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.374 -6.527 13.112 1.00 0.00 H new ATOM 1635 N GLU A 103 0.696 -9.957 9.335 1.00 0.00 N ATOM 1636 CA GLU A 103 -0.037 -10.352 8.116 1.00 0.00 C ATOM 1637 C GLU A 103 -0.592 -9.103 7.440 1.00 0.00 C ATOM 1638 O GLU A 103 -1.374 -8.364 8.041 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.169 -11.363 8.465 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.986 -11.931 7.260 1.00 0.00 C ATOM 1641 CD GLU A 103 -3.275 -11.155 6.916 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -4.203 -11.154 7.751 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -3.370 -10.555 5.814 1.00 0.00 O ATOM 0 H GLU A 103 0.117 -9.932 10.174 1.00 0.00 H new ATOM 0 HA GLU A 103 0.641 -10.851 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.725 -12.201 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.863 -10.876 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.343 -11.944 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.251 -12.966 7.477 1.00 0.00 H new ATOM 1650 N ILE A 104 -0.130 -8.842 6.214 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.586 -7.710 5.401 1.00 0.00 C ATOM 1652 C ILE A 104 -1.441 -8.246 4.242 1.00 0.00 C ATOM 1653 O ILE A 104 -1.123 -9.295 3.667 1.00 0.00 O ATOM 1654 CB ILE A 104 0.633 -6.884 4.818 1.00 0.00 C ATOM 1655 CG1 ILE A 104 1.751 -6.652 5.889 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.161 -5.536 4.227 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.300 -5.946 7.153 1.00 0.00 C ATOM 0 H ILE A 104 0.577 -9.415 5.753 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.170 -7.042 6.034 1.00 0.00 H new ATOM 0 HB ILE A 104 1.065 -7.482 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.175 -7.618 6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.552 -6.070 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.019 -4.991 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.551 -5.721 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.319 -4.945 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.147 -5.834 7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.906 -4.962 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.522 -6.534 7.640 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.526 -7.535 3.916 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.375 -7.841 2.754 1.00 0.00 C ATOM 1671 C LEU A 105 -3.209 -6.703 1.739 1.00 0.00 C ATOM 1672 O LEU A 105 -3.318 -5.516 2.082 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.877 -8.051 3.139 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.681 -6.808 3.666 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -7.186 -7.115 3.767 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -5.145 -6.303 5.021 1.00 0.00 C ATOM 0 H LEU A 105 -2.843 -6.727 4.452 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.056 -8.788 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.396 -8.438 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.921 -8.827 3.904 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.539 -6.012 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.713 -6.235 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.570 -7.383 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.343 -7.945 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.731 -5.443 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.224 -7.098 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.101 -6.011 4.913 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.922 -7.079 0.498 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.588 -6.144 -0.583 1.00 0.00 C ATOM 1690 C CYS A 106 -3.014 -6.729 -1.929 1.00 0.00 C ATOM 1691 O CYS A 106 -3.631 -7.789 -1.978 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.066 -5.848 -0.605 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.362 -5.274 0.954 1.00 0.00 S ATOM 0 H CYS A 106 -2.913 -8.056 0.205 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.123 -5.211 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.542 -6.754 -0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.871 -5.096 -1.370 1.00 0.00 H new ATOM 0 HG CYS A 106 0.768 -4.673 0.725 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.743 -5.978 -2.998 1.00 0.00 N ATOM 1700 CA ARG A 107 -2.745 -6.475 -4.385 1.00 0.00 C ATOM 1701 C ARG A 107 -2.173 -5.383 -5.298 1.00 0.00 C ATOM 1702 O ARG A 107 -1.874 -4.285 -4.833 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.165 -6.898 -4.855 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.207 -5.764 -4.827 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.599 -6.239 -5.257 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.583 -5.145 -5.248 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.996 -4.472 -6.332 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.501 -4.746 -7.537 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.910 -3.527 -6.203 1.00 0.00 N ATOM 0 H ARG A 107 -2.511 -4.987 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.124 -7.370 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.097 -7.288 -5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.516 -7.714 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.262 -5.350 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.881 -4.959 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.543 -6.667 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.933 -7.033 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.982 -4.878 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.798 -5.477 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.825 -4.225 -8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.297 -3.314 -5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.229 -3.011 -7.023 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.018 -5.702 -6.593 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.562 -4.748 -7.622 1.00 0.00 C ATOM 1725 C GLU A 108 -2.497 -3.514 -7.691 1.00 0.00 C ATOM 1726 O GLU A 108 -3.595 -3.513 -7.107 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.488 -5.441 -9.017 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.398 -6.540 -9.184 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.620 -7.836 -8.384 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -1.794 -8.241 -8.185 1.00 0.00 O ATOM 1731 OE2 GLU A 108 0.384 -8.479 -7.995 1.00 0.00 O ATOM 0 H GLU A 108 -2.206 -6.635 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.565 -4.408 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.459 -5.888 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.318 -4.673 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.327 -6.796 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.564 -6.117 -8.894 1.00 0.00 H new ATOM 1738 N GLY A 109 -2.095 -2.497 -8.474 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.851 -1.243 -8.565 1.00 0.00 C ATOM 1740 C GLY A 109 -3.959 -1.327 -9.619 1.00 0.00 C ATOM 1741 O GLY A 109 -4.156 -0.395 -10.409 1.00 0.00 O ATOM 0 H GLY A 109 -1.253 -2.522 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.289 -1.010 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.173 -0.426 -8.813 1.00 0.00 H new