USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 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= -0.472 K(o=-0.47,f=-1.3) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.00133 USER MOD Set 2.1: A 38 SER OG : rot -84:sc= 0.474 USER MOD Set 2.2: A 40 ASN :FLIP amide:sc= 0.434 F(o=0.33,f=0.91) USER MOD Set 3.1: A 18 THR OG1 : rot 114:sc= -0.767 USER MOD Set 3.2: A 28 THR OG1 : rot 23:sc= 0.23 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.267 USER MOD Set 4.2: A 34 THR OG1 : rot -85:sc= 0.276 USER MOD Single : A 13 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.7) 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 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -77:sc= 0.625 USER MOD Single : A 33 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.0059) USER MOD Single : A 41 MET CE :methyl 140:sc= 0 (180deg=-1.29) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00925) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 91:sc= 0.0539 USER MOD Single : A 58 THR OG1 : rot -140:sc= 0.333 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 88 ASN : amide:sc= -0.281 K(o=-0.28,f=-3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 100 THR OG1 : rot -34:sc= 0.383 USER MOD Single : A 106 CYS SG : rot -1:sc= -2.55! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.295 -15.095 6.294 1.00 0.00 N ATOM 85 CA LEU A 6 11.379 -13.847 5.527 1.00 0.00 C ATOM 86 C LEU A 6 12.621 -13.878 4.617 1.00 0.00 C ATOM 87 O LEU A 6 13.705 -13.427 5.006 1.00 0.00 O ATOM 88 CB LEU A 6 11.422 -12.611 6.485 1.00 0.00 C ATOM 89 CG LEU A 6 10.355 -12.511 7.625 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.943 -12.862 7.128 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.770 -13.329 8.866 1.00 0.00 C ATOM 0 HA LEU A 6 10.490 -13.755 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.407 -12.587 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.337 -11.714 5.872 1.00 0.00 H new ATOM 0 HG LEU A 6 10.314 -11.468 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.236 -12.779 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.656 -12.174 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.935 -13.882 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.004 -13.235 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.881 -14.378 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.718 -12.953 9.249 1.00 0.00 H new ATOM 103 N ARG A 7 12.457 -14.469 3.425 1.00 0.00 N ATOM 104 CA ARG A 7 13.551 -14.655 2.440 1.00 0.00 C ATOM 105 C ARG A 7 13.467 -13.654 1.279 1.00 0.00 C ATOM 106 O ARG A 7 14.376 -13.594 0.444 1.00 0.00 O ATOM 107 CB ARG A 7 13.534 -16.100 1.882 1.00 0.00 C ATOM 108 CG ARG A 7 13.667 -17.196 2.957 1.00 0.00 C ATOM 109 CD ARG A 7 13.760 -18.609 2.352 1.00 0.00 C ATOM 110 NE ARG A 7 13.917 -19.642 3.389 1.00 0.00 N ATOM 111 CZ ARG A 7 15.056 -19.923 4.043 1.00 0.00 C ATOM 112 NH1 ARG A 7 16.164 -19.238 3.810 1.00 0.00 N ATOM 113 NH2 ARG A 7 15.068 -20.882 4.951 1.00 0.00 N ATOM 0 H ARG A 7 11.560 -14.836 3.108 1.00 0.00 H new ATOM 0 HA ARG A 7 14.487 -14.474 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.604 -16.255 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.348 -16.210 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.555 -17.003 3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.810 -17.148 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.862 -18.814 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.604 -18.654 1.664 1.00 0.00 H new ATOM 0 HE ARG A 7 13.092 -20.190 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.162 -18.483 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.020 -19.465 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.215 -21.405 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.930 -21.100 5.451 1.00 0.00 H new ATOM 127 N ASP A 8 12.380 -12.884 1.217 1.00 0.00 N ATOM 128 CA ASP A 8 12.184 -11.829 0.204 1.00 0.00 C ATOM 129 C ASP A 8 12.452 -10.468 0.849 1.00 0.00 C ATOM 130 O ASP A 8 12.833 -10.383 2.025 1.00 0.00 O ATOM 131 CB ASP A 8 10.730 -11.847 -0.353 1.00 0.00 C ATOM 132 CG ASP A 8 10.309 -13.196 -0.949 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.801 -13.557 -2.035 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.484 -13.907 -0.329 1.00 0.00 O ATOM 0 H ASP A 8 11.601 -12.970 1.870 1.00 0.00 H new ATOM 0 HA ASP A 8 12.873 -12.009 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.041 -11.585 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.635 -11.077 -1.119 1.00 0.00 H new ATOM 139 N ARG A 9 12.252 -9.403 0.069 1.00 0.00 N ATOM 140 CA ARG A 9 12.232 -8.025 0.568 1.00 0.00 C ATOM 141 C ARG A 9 11.034 -7.292 -0.018 1.00 0.00 C ATOM 142 O ARG A 9 10.596 -7.580 -1.137 1.00 0.00 O ATOM 143 CB ARG A 9 13.508 -7.229 0.205 1.00 0.00 C ATOM 144 CG ARG A 9 14.824 -7.793 0.747 1.00 0.00 C ATOM 145 CD ARG A 9 16.017 -6.872 0.446 1.00 0.00 C ATOM 146 NE ARG A 9 16.130 -6.535 -0.997 1.00 0.00 N ATOM 147 CZ ARG A 9 17.223 -6.044 -1.596 1.00 0.00 C ATOM 148 NH1 ARG A 9 18.373 -5.943 -0.944 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.166 -5.685 -2.865 1.00 0.00 N ATOM 0 H ARG A 9 12.098 -9.473 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 9 12.174 -8.088 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.580 -7.171 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.394 -6.209 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.740 -7.936 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.005 -8.774 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.916 -5.953 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.937 -7.356 0.775 1.00 0.00 H new ATOM 0 HE ARG A 9 15.307 -6.690 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.435 -6.242 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.195 -5.567 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.293 -5.782 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.995 -5.310 -3.327 1.00 0.00 H new ATOM 163 N ILE A 10 10.546 -6.327 0.746 1.00 0.00 N ATOM 164 CA ILE A 10 9.506 -5.378 0.330 1.00 0.00 C ATOM 165 C ILE A 10 9.929 -3.991 0.805 1.00 0.00 C ATOM 166 O ILE A 10 10.663 -3.877 1.780 1.00 0.00 O ATOM 167 CB ILE A 10 8.097 -5.691 0.949 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.174 -5.674 2.518 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.525 -7.020 0.400 1.00 0.00 C ATOM 170 CD1 ILE A 10 6.878 -5.391 3.226 1.00 0.00 C ATOM 0 H ILE A 10 10.867 -6.172 1.702 1.00 0.00 H new ATOM 0 HA ILE A 10 9.409 -5.447 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 10 7.401 -4.908 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.550 -6.640 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.905 -4.924 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.549 -7.209 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.420 -6.951 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.202 -7.837 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.042 -5.402 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.506 -4.411 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.145 -6.154 2.963 1.00 0.00 H new ATOM 182 N THR A 11 9.409 -2.964 0.163 1.00 0.00 N ATOM 183 CA THR A 11 9.691 -1.574 0.493 1.00 0.00 C ATOM 184 C THR A 11 8.386 -0.925 0.945 1.00 0.00 C ATOM 185 O THR A 11 7.387 -0.981 0.218 1.00 0.00 O ATOM 186 CB THR A 11 10.266 -0.830 -0.748 1.00 0.00 C ATOM 187 OG1 THR A 11 11.366 -1.586 -1.280 1.00 0.00 O ATOM 188 CG2 THR A 11 10.749 0.585 -0.390 1.00 0.00 C ATOM 0 H THR A 11 8.764 -3.071 -0.620 1.00 0.00 H new ATOM 0 HA THR A 11 10.434 -1.518 1.288 1.00 0.00 H new ATOM 0 HB THR A 11 9.470 -0.736 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.732 -1.124 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.143 1.072 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.914 1.166 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.533 0.522 0.365 1.00 0.00 H new ATOM 196 N ILE A 12 8.398 -0.339 2.148 1.00 0.00 N ATOM 197 CA ILE A 12 7.242 0.381 2.689 1.00 0.00 C ATOM 198 C ILE A 12 7.096 1.696 1.925 1.00 0.00 C ATOM 199 O ILE A 12 7.771 2.678 2.224 1.00 0.00 O ATOM 200 CB ILE A 12 7.369 0.650 4.244 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.590 -0.688 5.018 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.143 1.436 4.801 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.587 -1.780 4.706 1.00 0.00 C ATOM 0 H ILE A 12 9.206 -0.351 2.770 1.00 0.00 H new ATOM 0 HA ILE A 12 6.354 -0.238 2.559 1.00 0.00 H new ATOM 0 HB ILE A 12 8.244 1.281 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.590 -1.059 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.559 -0.481 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.271 1.599 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.067 2.398 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.233 0.861 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.823 -2.669 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.584 -1.436 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.632 -2.022 3.644 1.00 0.00 H new ATOM 215 N GLN A 13 6.270 1.665 0.876 1.00 0.00 N ATOM 216 CA GLN A 13 6.004 2.827 0.046 1.00 0.00 C ATOM 217 C GLN A 13 5.142 3.806 0.861 1.00 0.00 C ATOM 218 O GLN A 13 3.938 3.617 1.047 1.00 0.00 O ATOM 219 CB GLN A 13 5.318 2.412 -1.278 1.00 0.00 C ATOM 220 CG GLN A 13 5.388 3.468 -2.398 1.00 0.00 C ATOM 221 CD GLN A 13 6.705 3.456 -3.169 1.00 0.00 C ATOM 222 OE1 GLN A 13 7.630 4.183 -2.856 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.800 2.600 -4.174 1.00 0.00 N ATOM 0 H GLN A 13 5.768 0.827 0.583 1.00 0.00 H new ATOM 0 HA GLN A 13 6.936 3.317 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.778 1.491 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.271 2.187 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.567 3.301 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.240 4.457 -1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.008 2.004 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.666 2.537 -4.710 1.00 0.00 H new ATOM 232 N THR A 14 5.837 4.796 1.387 1.00 0.00 N ATOM 233 CA THR A 14 5.323 5.746 2.357 1.00 0.00 C ATOM 234 C THR A 14 4.573 6.886 1.652 1.00 0.00 C ATOM 235 O THR A 14 5.018 7.354 0.605 1.00 0.00 O ATOM 236 CB THR A 14 6.518 6.307 3.185 1.00 0.00 C ATOM 237 OG1 THR A 14 7.359 5.221 3.607 1.00 0.00 O ATOM 238 CG2 THR A 14 6.050 7.072 4.416 1.00 0.00 C ATOM 0 H THR A 14 6.812 4.968 1.142 1.00 0.00 H new ATOM 0 HA THR A 14 4.618 5.247 3.021 1.00 0.00 H new ATOM 0 HB THR A 14 7.067 6.996 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.112 5.573 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.916 7.445 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.426 7.911 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.473 6.408 5.059 1.00 0.00 H new ATOM 246 N LEU A 15 3.443 7.338 2.232 1.00 0.00 N ATOM 247 CA LEU A 15 2.640 8.419 1.646 1.00 0.00 C ATOM 248 C LEU A 15 2.917 9.734 2.379 1.00 0.00 C ATOM 249 O LEU A 15 2.384 9.982 3.473 1.00 0.00 O ATOM 250 CB LEU A 15 1.130 8.086 1.689 1.00 0.00 C ATOM 251 CG LEU A 15 0.193 9.124 0.997 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.582 9.319 -0.482 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.285 8.715 1.148 1.00 0.00 C ATOM 0 H LEU A 15 3.069 6.968 3.106 1.00 0.00 H new ATOM 0 HA LEU A 15 2.927 8.526 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.977 7.114 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.827 7.988 2.731 1.00 0.00 H new ATOM 0 HG LEU A 15 0.320 10.085 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.087 10.047 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.609 9.680 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.499 8.368 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.919 9.454 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.441 7.740 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.542 8.662 2.206 1.00 0.00 H new ATOM 265 N LYS A 16 3.777 10.551 1.780 1.00 0.00 N ATOM 266 CA LYS A 16 4.072 11.905 2.246 1.00 0.00 C ATOM 267 C LYS A 16 3.007 12.870 1.704 1.00 0.00 C ATOM 268 O LYS A 16 2.985 13.173 0.501 1.00 0.00 O ATOM 269 CB LYS A 16 5.486 12.337 1.773 1.00 0.00 C ATOM 270 CG LYS A 16 5.881 13.789 2.146 1.00 0.00 C ATOM 271 CD LYS A 16 7.294 14.180 1.653 1.00 0.00 C ATOM 272 CE LYS A 16 7.489 13.992 0.131 1.00 0.00 C ATOM 273 NZ LYS A 16 8.840 14.409 -0.303 1.00 0.00 N ATOM 0 H LYS A 16 4.298 10.288 0.943 1.00 0.00 H new ATOM 0 HA LYS A 16 4.054 11.927 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.221 11.654 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.541 12.227 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.151 14.478 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.836 13.905 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.485 15.222 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.034 13.581 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.330 12.946 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.739 14.572 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.934 14.269 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.983 15.414 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.555 13.838 0.191 1.00 0.00 H new ATOM 287 N GLN A 17 2.103 13.308 2.589 1.00 0.00 N ATOM 288 CA GLN A 17 1.111 14.348 2.285 1.00 0.00 C ATOM 289 C GLN A 17 1.825 15.716 2.267 1.00 0.00 C ATOM 290 O GLN A 17 1.962 16.371 3.305 1.00 0.00 O ATOM 291 CB GLN A 17 -0.044 14.314 3.331 1.00 0.00 C ATOM 292 CG GLN A 17 -0.848 12.999 3.335 1.00 0.00 C ATOM 293 CD GLN A 17 -1.975 12.978 4.372 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.781 12.537 5.508 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.159 13.439 3.992 1.00 0.00 N ATOM 0 H GLN A 17 2.038 12.949 3.542 1.00 0.00 H new ATOM 0 HA GLN A 17 0.663 14.171 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.375 14.475 4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.724 15.143 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.273 12.839 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.170 12.168 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.287 13.797 3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.942 13.436 4.646 1.00 0.00 H new ATOM 304 N THR A 18 2.305 16.113 1.078 1.00 0.00 N ATOM 305 CA THR A 18 3.171 17.285 0.902 1.00 0.00 C ATOM 306 C THR A 18 2.316 18.535 0.655 1.00 0.00 C ATOM 307 O THR A 18 1.672 18.642 -0.386 1.00 0.00 O ATOM 308 CB THR A 18 4.147 17.086 -0.314 1.00 0.00 C ATOM 309 OG1 THR A 18 4.797 15.806 -0.220 1.00 0.00 O ATOM 310 CG2 THR A 18 5.210 18.201 -0.371 1.00 0.00 C ATOM 0 H THR A 18 2.100 15.625 0.206 1.00 0.00 H new ATOM 0 HA THR A 18 3.759 17.408 1.812 1.00 0.00 H new ATOM 0 HB THR A 18 3.554 17.131 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.500 15.233 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.868 18.033 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.718 19.168 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.797 18.192 0.548 1.00 0.00 H new ATOM 318 N ARG A 19 2.316 19.472 1.612 1.00 0.00 N ATOM 319 CA ARG A 19 1.559 20.715 1.483 1.00 0.00 C ATOM 320 C ARG A 19 2.229 21.648 0.460 1.00 0.00 C ATOM 321 O ARG A 19 3.439 21.570 0.230 1.00 0.00 O ATOM 322 CB ARG A 19 1.381 21.388 2.868 1.00 0.00 C ATOM 323 CG ARG A 19 0.350 22.548 2.867 1.00 0.00 C ATOM 324 CD ARG A 19 -0.146 22.947 4.261 1.00 0.00 C ATOM 325 NE ARG A 19 0.920 23.493 5.117 1.00 0.00 N ATOM 326 CZ ARG A 19 0.744 24.416 6.075 1.00 0.00 C ATOM 327 NH1 ARG A 19 -0.448 24.978 6.257 1.00 0.00 N ATOM 328 NH2 ARG A 19 1.775 24.798 6.818 1.00 0.00 N ATOM 0 H ARG A 19 2.835 19.388 2.486 1.00 0.00 H new ATOM 0 HA ARG A 19 0.561 20.489 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.067 20.635 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.345 21.770 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.800 23.419 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.506 22.258 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.939 23.688 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.585 22.076 4.748 1.00 0.00 H new ATOM 0 HE ARG A 19 1.867 23.142 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.235 24.708 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.575 25.679 6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.697 24.390 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.646 25.499 7.547 1.00 0.00 H new ATOM 342 N ASP A 20 1.420 22.514 -0.154 1.00 0.00 N ATOM 343 CA ASP A 20 1.868 23.439 -1.204 1.00 0.00 C ATOM 344 C ASP A 20 1.749 24.874 -0.679 1.00 0.00 C ATOM 345 O ASP A 20 1.071 25.122 0.329 1.00 0.00 O ATOM 346 CB ASP A 20 1.010 23.240 -2.487 1.00 0.00 C ATOM 347 CG ASP A 20 1.571 23.980 -3.715 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.496 23.456 -4.362 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.119 25.097 -4.014 1.00 0.00 O ATOM 0 H ASP A 20 0.427 22.596 0.063 1.00 0.00 H new ATOM 0 HA ASP A 20 2.908 23.240 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.945 22.175 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.005 23.587 -2.294 1.00 0.00 H new ATOM 354 N ILE A 21 2.406 25.819 -1.375 1.00 0.00 N ATOM 355 CA ILE A 21 2.351 27.262 -1.059 1.00 0.00 C ATOM 356 C ILE A 21 1.002 27.916 -1.497 1.00 0.00 C ATOM 357 O ILE A 21 0.810 29.126 -1.370 1.00 0.00 O ATOM 358 CB ILE A 21 3.595 27.990 -1.708 1.00 0.00 C ATOM 359 CG1 ILE A 21 3.802 29.430 -1.122 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.497 28.009 -3.257 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.020 30.167 -1.648 1.00 0.00 C ATOM 0 H ILE A 21 2.995 25.603 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 21 2.398 27.378 0.024 1.00 0.00 H new ATOM 0 HB ILE A 21 4.480 27.411 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.915 30.025 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.881 29.357 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.368 28.517 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.461 26.986 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.592 28.537 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.077 31.152 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.920 29.600 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.939 30.279 -2.729 1.00 0.00 H new ATOM 373 N THR A 22 0.046 27.098 -1.971 1.00 0.00 N ATOM 374 CA THR A 22 -1.351 27.526 -2.227 1.00 0.00 C ATOM 375 C THR A 22 -2.250 27.040 -1.062 1.00 0.00 C ATOM 376 O THR A 22 -3.386 27.495 -0.892 1.00 0.00 O ATOM 377 CB THR A 22 -1.869 26.920 -3.574 1.00 0.00 C ATOM 378 OG1 THR A 22 -1.743 25.486 -3.535 1.00 0.00 O ATOM 379 CG2 THR A 22 -1.094 27.460 -4.793 1.00 0.00 C ATOM 0 H THR A 22 0.216 26.116 -2.190 1.00 0.00 H new ATOM 0 HA THR A 22 -1.385 28.613 -2.297 1.00 0.00 H new ATOM 0 HB THR A 22 -2.913 27.213 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.808 25.235 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.490 27.011 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.206 28.543 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.038 27.209 -4.693 1.00 0.00 H new ATOM 387 N GLY A 23 -1.689 26.106 -0.273 1.00 0.00 N ATOM 388 CA GLY A 23 -2.360 25.504 0.876 1.00 0.00 C ATOM 389 C GLY A 23 -3.124 24.246 0.505 1.00 0.00 C ATOM 390 O GLY A 23 -4.180 23.957 1.082 1.00 0.00 O ATOM 0 H GLY A 23 -0.745 25.749 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.621 25.265 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.048 26.228 1.312 1.00 0.00 H new ATOM 394 N GLU A 24 -2.587 23.486 -0.467 1.00 0.00 N ATOM 395 CA GLU A 24 -3.158 22.195 -0.906 1.00 0.00 C ATOM 396 C GLU A 24 -2.355 21.024 -0.321 1.00 0.00 C ATOM 397 O GLU A 24 -1.261 21.222 0.199 1.00 0.00 O ATOM 398 CB GLU A 24 -3.152 22.099 -2.451 1.00 0.00 C ATOM 399 CG GLU A 24 -4.060 23.102 -3.169 1.00 0.00 C ATOM 400 CD GLU A 24 -4.006 22.936 -4.695 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.137 23.550 -5.339 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.822 22.168 -5.257 1.00 0.00 O ATOM 0 H GLU A 24 -1.742 23.749 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.185 22.140 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.130 22.240 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.452 21.091 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.086 22.972 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.761 24.116 -2.904 1.00 0.00 H new ATOM 409 N ILE A 25 -2.918 19.804 -0.414 1.00 0.00 N ATOM 410 CA ILE A 25 -2.258 18.563 0.028 1.00 0.00 C ATOM 411 C ILE A 25 -1.980 17.668 -1.203 1.00 0.00 C ATOM 412 O ILE A 25 -2.900 17.078 -1.784 1.00 0.00 O ATOM 413 CB ILE A 25 -3.130 17.798 1.095 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.396 18.688 2.359 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.474 16.452 1.496 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.156 19.110 3.133 1.00 0.00 C ATOM 0 H ILE A 25 -3.850 19.652 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.314 18.818 0.509 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.092 17.578 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.930 19.585 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.057 18.143 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.099 15.948 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.372 15.820 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.489 16.640 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.450 19.721 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.628 18.224 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.500 19.688 2.482 1.00 0.00 H new ATOM 428 N LEU A 26 -0.701 17.622 -1.602 1.00 0.00 N ATOM 429 CA LEU A 26 -0.200 16.820 -2.731 1.00 0.00 C ATOM 430 C LEU A 26 0.391 15.530 -2.159 1.00 0.00 C ATOM 431 O LEU A 26 1.542 15.504 -1.704 1.00 0.00 O ATOM 432 CB LEU A 26 0.883 17.597 -3.561 1.00 0.00 C ATOM 433 CG LEU A 26 0.405 18.852 -4.364 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.103 19.977 -3.442 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.523 19.356 -5.312 1.00 0.00 C ATOM 0 H LEU A 26 0.034 18.155 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.021 16.601 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.670 17.914 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.335 16.898 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.444 18.543 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.423 20.826 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.945 19.613 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.699 20.290 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.169 20.229 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.402 19.627 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.786 18.567 -6.017 1.00 0.00 H new ATOM 447 N GLU A 27 -0.416 14.475 -2.154 1.00 0.00 N ATOM 448 CA GLU A 27 -0.037 13.186 -1.576 1.00 0.00 C ATOM 449 C GLU A 27 0.870 12.427 -2.562 1.00 0.00 C ATOM 450 O GLU A 27 0.463 12.108 -3.682 1.00 0.00 O ATOM 451 CB GLU A 27 -1.317 12.383 -1.248 1.00 0.00 C ATOM 452 CG GLU A 27 -2.256 13.099 -0.266 1.00 0.00 C ATOM 453 CD GLU A 27 -3.552 12.323 0.018 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.499 12.412 -0.791 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.628 11.620 1.051 1.00 0.00 O ATOM 0 H GLU A 27 -1.355 14.487 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 27 0.522 13.333 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.857 12.182 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.033 11.418 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.728 13.266 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.510 14.080 -0.668 1.00 0.00 H new ATOM 462 N THR A 28 2.101 12.153 -2.112 1.00 0.00 N ATOM 463 CA THR A 28 3.190 11.586 -2.932 1.00 0.00 C ATOM 464 C THR A 28 3.764 10.332 -2.259 1.00 0.00 C ATOM 465 O THR A 28 3.807 10.249 -1.030 1.00 0.00 O ATOM 466 CB THR A 28 4.327 12.646 -3.160 1.00 0.00 C ATOM 467 OG1 THR A 28 4.674 13.278 -1.908 1.00 0.00 O ATOM 468 CG2 THR A 28 3.908 13.713 -4.189 1.00 0.00 C ATOM 0 H THR A 28 2.378 12.322 -1.145 1.00 0.00 H new ATOM 0 HA THR A 28 2.778 11.310 -3.903 1.00 0.00 H new ATOM 0 HB THR A 28 5.197 12.122 -3.556 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.419 12.693 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.719 14.429 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.689 13.233 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.019 14.233 -3.832 1.00 0.00 H new ATOM 476 N TRP A 29 4.246 9.386 -3.078 1.00 0.00 N ATOM 477 CA TRP A 29 4.723 8.071 -2.621 1.00 0.00 C ATOM 478 C TRP A 29 6.257 8.018 -2.722 1.00 0.00 C ATOM 479 O TRP A 29 6.821 8.005 -3.821 1.00 0.00 O ATOM 480 CB TRP A 29 4.067 6.937 -3.453 1.00 0.00 C ATOM 481 CG TRP A 29 2.557 6.880 -3.326 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.628 7.448 -4.159 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.808 6.233 -2.282 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.361 7.172 -3.710 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.444 6.440 -2.556 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.160 5.503 -1.142 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.569 5.940 -1.739 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.156 5.009 -0.327 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.196 5.229 -0.628 1.00 0.00 C ATOM 0 H TRP A 29 4.317 9.513 -4.088 1.00 0.00 H new ATOM 0 HA TRP A 29 4.437 7.924 -1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.329 7.071 -4.502 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.485 5.980 -3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.860 8.028 -5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.504 7.465 -4.164 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.198 5.328 -0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.610 6.107 -1.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.418 4.445 0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.957 4.831 0.027 1.00 0.00 H new ATOM 500 N GLU A 30 6.904 8.021 -1.554 1.00 0.00 N ATOM 501 CA GLU A 30 8.363 7.886 -1.419 1.00 0.00 C ATOM 502 C GLU A 30 8.677 6.479 -0.889 1.00 0.00 C ATOM 503 O GLU A 30 7.955 5.966 -0.028 1.00 0.00 O ATOM 504 CB GLU A 30 8.936 8.983 -0.478 1.00 0.00 C ATOM 505 CG GLU A 30 8.394 8.982 0.963 1.00 0.00 C ATOM 506 CD GLU A 30 9.114 10.004 1.858 1.00 0.00 C ATOM 507 OE1 GLU A 30 10.183 9.682 2.413 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.634 11.143 1.990 1.00 0.00 O ATOM 0 H GLU A 30 6.424 8.119 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 30 8.837 8.020 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.019 8.871 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.733 9.958 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.327 9.204 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.506 7.986 1.390 1.00 0.00 H new ATOM 515 N ASP A 31 9.742 5.854 -1.419 1.00 0.00 N ATOM 516 CA ASP A 31 10.158 4.502 -0.995 1.00 0.00 C ATOM 517 C ASP A 31 10.760 4.580 0.424 1.00 0.00 C ATOM 518 O ASP A 31 11.635 5.414 0.696 1.00 0.00 O ATOM 519 CB ASP A 31 11.145 3.859 -2.020 1.00 0.00 C ATOM 520 CG ASP A 31 12.412 4.688 -2.301 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.355 5.602 -3.147 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.475 4.413 -1.698 1.00 0.00 O ATOM 0 H ASP A 31 10.333 6.263 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 31 9.286 3.849 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.444 2.878 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.617 3.698 -2.960 1.00 0.00 H new ATOM 527 N GLY A 32 10.265 3.715 1.327 1.00 0.00 N ATOM 528 CA GLY A 32 10.572 3.810 2.767 1.00 0.00 C ATOM 529 C GLY A 32 11.540 2.746 3.259 1.00 0.00 C ATOM 530 O GLY A 32 12.674 2.675 2.788 1.00 0.00 O ATOM 0 H GLY A 32 9.648 2.939 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.992 4.794 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.644 3.733 3.333 1.00 0.00 H new ATOM 534 N HIS A 33 11.092 1.917 4.215 1.00 0.00 N ATOM 535 CA HIS A 33 11.930 0.886 4.855 1.00 0.00 C ATOM 536 C HIS A 33 11.812 -0.427 4.070 1.00 0.00 C ATOM 537 O HIS A 33 10.717 -0.993 3.979 1.00 0.00 O ATOM 538 CB HIS A 33 11.491 0.671 6.335 1.00 0.00 C ATOM 539 CG HIS A 33 11.730 1.852 7.249 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.341 1.741 8.480 1.00 0.00 N ATOM 541 CD2 HIS A 33 11.407 3.165 7.120 1.00 0.00 C ATOM 542 CE1 HIS A 33 12.386 2.924 9.057 1.00 0.00 C ATOM 543 NE2 HIS A 33 11.827 3.808 8.258 1.00 0.00 N ATOM 0 H HIS A 33 10.135 1.942 4.568 1.00 0.00 H new ATOM 0 HA HIS A 33 12.969 1.216 4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.429 0.427 6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.023 -0.192 6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.910 3.620 6.276 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.812 3.134 10.027 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.723 4.804 8.452 1.00 0.00 H new ATOM 552 N THR A 34 12.922 -0.909 3.480 1.00 0.00 N ATOM 553 CA THR A 34 12.930 -2.185 2.760 1.00 0.00 C ATOM 554 C THR A 34 13.291 -3.324 3.729 1.00 0.00 C ATOM 555 O THR A 34 14.469 -3.586 3.983 1.00 0.00 O ATOM 556 CB THR A 34 13.914 -2.142 1.545 1.00 0.00 C ATOM 557 OG1 THR A 34 13.613 -0.988 0.752 1.00 0.00 O ATOM 558 CG2 THR A 34 13.807 -3.392 0.653 1.00 0.00 C ATOM 0 H THR A 34 13.822 -0.430 3.491 1.00 0.00 H new ATOM 0 HA THR A 34 11.933 -2.369 2.360 1.00 0.00 H new ATOM 0 HB THR A 34 14.928 -2.104 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.889 -1.200 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.512 -3.310 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.040 -4.280 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.794 -3.473 0.260 1.00 0.00 H new ATOM 566 N LEU A 35 12.260 -3.981 4.290 1.00 0.00 N ATOM 567 CA LEU A 35 12.441 -5.036 5.310 1.00 0.00 C ATOM 568 C LEU A 35 12.234 -6.435 4.718 1.00 0.00 C ATOM 569 O LEU A 35 11.669 -6.594 3.626 1.00 0.00 O ATOM 570 CB LEU A 35 11.515 -4.846 6.562 1.00 0.00 C ATOM 571 CG LEU A 35 9.966 -5.015 6.396 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.270 -5.103 7.775 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.350 -3.883 5.564 1.00 0.00 C ATOM 0 H LEU A 35 11.285 -3.800 4.053 1.00 0.00 H new ATOM 0 HA LEU A 35 13.473 -4.941 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.843 -5.553 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.696 -3.846 6.956 1.00 0.00 H new ATOM 0 HG LEU A 35 9.804 -5.949 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.196 -5.220 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.659 -5.960 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.464 -4.191 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.275 -4.041 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.537 -2.928 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.799 -3.875 4.571 1.00 0.00 H new ATOM 585 N TRP A 36 12.727 -7.432 5.469 1.00 0.00 N ATOM 586 CA TRP A 36 12.562 -8.858 5.158 1.00 0.00 C ATOM 587 C TRP A 36 11.068 -9.259 5.195 1.00 0.00 C ATOM 588 O TRP A 36 10.372 -9.022 6.195 1.00 0.00 O ATOM 589 CB TRP A 36 13.375 -9.721 6.159 1.00 0.00 C ATOM 590 CG TRP A 36 14.823 -9.307 6.319 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.430 -8.880 7.467 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.836 -9.272 5.301 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.746 -8.588 7.226 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.018 -8.806 5.906 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.857 -9.570 3.937 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.209 -8.651 5.204 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.036 -9.412 3.240 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.198 -8.953 3.873 1.00 0.00 C ATOM 0 H TRP A 36 13.260 -7.266 6.323 1.00 0.00 H new ATOM 0 HA TRP A 36 12.939 -9.036 4.151 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.889 -9.678 7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.342 -10.760 5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.942 -8.786 8.426 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.416 -8.260 7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.965 -9.918 3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.108 -8.305 5.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.064 -9.647 2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.104 -8.836 3.296 1.00 0.00 H new ATOM 609 N ALA A 37 10.609 -9.866 4.091 1.00 0.00 N ATOM 610 CA ALA A 37 9.218 -10.320 3.908 1.00 0.00 C ATOM 611 C ALA A 37 9.156 -11.730 3.319 1.00 0.00 C ATOM 612 O ALA A 37 10.152 -12.264 2.856 1.00 0.00 O ATOM 613 CB ALA A 37 8.479 -9.346 2.993 1.00 0.00 C ATOM 0 H ALA A 37 11.203 -10.060 3.285 1.00 0.00 H new ATOM 0 HA ALA A 37 8.741 -10.347 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.451 -9.682 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.480 -8.353 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.978 -9.307 2.025 1.00 0.00 H new ATOM 619 N SER A 38 7.975 -12.345 3.392 1.00 0.00 N ATOM 620 CA SER A 38 7.629 -13.556 2.674 1.00 0.00 C ATOM 621 C SER A 38 6.403 -13.224 1.813 1.00 0.00 C ATOM 622 O SER A 38 5.277 -13.137 2.326 1.00 0.00 O ATOM 623 CB SER A 38 7.320 -14.691 3.684 1.00 0.00 C ATOM 624 OG SER A 38 7.057 -15.918 3.028 1.00 0.00 O ATOM 0 H SER A 38 7.213 -11.996 3.974 1.00 0.00 H new ATOM 0 HA SER A 38 8.448 -13.901 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.164 -14.815 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.460 -14.412 4.293 1.00 0.00 H new ATOM 0 HG SER A 38 6.116 -15.948 2.755 1.00 0.00 H new ATOM 630 N VAL A 39 6.631 -12.945 0.526 1.00 0.00 N ATOM 631 CA VAL A 39 5.577 -12.504 -0.405 1.00 0.00 C ATOM 632 C VAL A 39 4.861 -13.728 -1.015 1.00 0.00 C ATOM 633 O VAL A 39 5.297 -14.293 -2.027 1.00 0.00 O ATOM 634 CB VAL A 39 6.194 -11.595 -1.534 1.00 0.00 C ATOM 635 CG1 VAL A 39 5.117 -11.041 -2.495 1.00 0.00 C ATOM 636 CG2 VAL A 39 7.055 -10.455 -0.927 1.00 0.00 C ATOM 0 H VAL A 39 7.553 -13.017 0.095 1.00 0.00 H new ATOM 0 HA VAL A 39 4.842 -11.915 0.144 1.00 0.00 H new ATOM 0 HB VAL A 39 6.850 -12.229 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.592 -10.421 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.597 -11.870 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.401 -10.441 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.468 -9.844 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.434 -9.834 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.869 -10.885 -0.343 1.00 0.00 H new ATOM 646 N ASN A 40 3.778 -14.158 -0.362 1.00 0.00 N ATOM 647 CA ASN A 40 2.996 -15.332 -0.775 1.00 0.00 C ATOM 648 C ASN A 40 1.798 -14.900 -1.637 1.00 0.00 C ATOM 649 O ASN A 40 0.831 -14.319 -1.136 1.00 0.00 O ATOM 650 CB ASN A 40 2.521 -16.111 0.478 1.00 0.00 C ATOM 651 CG ASN A 40 3.675 -16.640 1.334 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.155 -15.826 2.269 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.133 -17.771 1.157 1.00 0.00 N flip ATOM 0 H ASN A 40 3.415 -13.700 0.474 1.00 0.00 H new ATOM 0 HA ASN A 40 3.625 -15.988 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.895 -15.459 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.898 -16.948 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.742 -18.372 0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.902 -18.106 1.737 1.00 0.00 H new ATOM 660 N MET A 41 1.880 -15.176 -2.945 1.00 0.00 N ATOM 661 CA MET A 41 0.808 -14.845 -3.905 1.00 0.00 C ATOM 662 C MET A 41 -0.376 -15.806 -3.664 1.00 0.00 C ATOM 663 O MET A 41 -0.170 -17.028 -3.584 1.00 0.00 O ATOM 664 CB MET A 41 1.346 -14.954 -5.366 1.00 0.00 C ATOM 665 CG MET A 41 0.681 -14.008 -6.374 1.00 0.00 C ATOM 666 SD MET A 41 -1.108 -14.209 -6.486 1.00 0.00 S ATOM 667 CE MET A 41 -1.507 -12.952 -7.694 1.00 0.00 C ATOM 0 H MET A 41 2.686 -15.633 -3.371 1.00 0.00 H new ATOM 0 HA MET A 41 0.468 -13.820 -3.760 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.418 -14.757 -5.358 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.213 -15.980 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.905 -12.978 -6.095 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.119 -14.174 -7.358 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.270 -13.331 -8.375 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.883 -12.065 -7.185 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.612 -12.694 -8.260 1.00 0.00 H new ATOM 677 N VAL A 42 -1.606 -15.257 -3.546 1.00 0.00 N ATOM 678 CA VAL A 42 -2.775 -16.033 -3.064 1.00 0.00 C ATOM 679 C VAL A 42 -3.244 -17.093 -4.084 1.00 0.00 C ATOM 680 O VAL A 42 -3.094 -16.924 -5.294 1.00 0.00 O ATOM 681 CB VAL A 42 -3.998 -15.126 -2.646 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.578 -14.043 -1.619 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.730 -14.541 -3.881 1.00 0.00 C ATOM 0 H VAL A 42 -1.816 -14.286 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.415 -16.543 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.725 -15.762 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.445 -13.437 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.184 -14.524 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.810 -13.405 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.565 -13.923 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.036 -13.933 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.105 -15.355 -4.501 1.00 0.00 H new ATOM 693 N SER A 43 -3.827 -18.172 -3.553 1.00 0.00 N ATOM 694 CA SER A 43 -4.398 -19.271 -4.344 1.00 0.00 C ATOM 695 C SER A 43 -5.918 -19.043 -4.531 1.00 0.00 C ATOM 696 O SER A 43 -6.464 -18.016 -4.090 1.00 0.00 O ATOM 697 CB SER A 43 -4.089 -20.611 -3.619 1.00 0.00 C ATOM 698 OG SER A 43 -4.447 -21.736 -4.404 1.00 0.00 O ATOM 0 H SER A 43 -3.918 -18.310 -2.547 1.00 0.00 H new ATOM 0 HA SER A 43 -3.954 -19.308 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.026 -20.658 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.628 -20.643 -2.672 1.00 0.00 H new ATOM 0 HG SER A 43 -4.235 -22.558 -3.914 1.00 0.00 H new ATOM 704 N SER A 44 -6.588 -20.011 -5.196 1.00 0.00 N ATOM 705 CA SER A 44 -8.049 -19.992 -5.416 1.00 0.00 C ATOM 706 C SER A 44 -8.806 -20.010 -4.070 1.00 0.00 C ATOM 707 O SER A 44 -9.771 -19.265 -3.894 1.00 0.00 O ATOM 708 CB SER A 44 -8.461 -21.205 -6.282 1.00 0.00 C ATOM 709 OG SER A 44 -7.742 -21.233 -7.507 1.00 0.00 O ATOM 0 H SER A 44 -6.128 -20.829 -5.596 1.00 0.00 H new ATOM 0 HA SER A 44 -8.313 -19.073 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.279 -22.127 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.531 -21.162 -6.487 1.00 0.00 H new ATOM 0 HG SER A 44 -8.022 -22.011 -8.033 1.00 0.00 H new ATOM 715 N LYS A 45 -8.303 -20.833 -3.118 1.00 0.00 N ATOM 716 CA LYS A 45 -8.910 -21.028 -1.777 1.00 0.00 C ATOM 717 C LYS A 45 -9.050 -19.706 -1.001 1.00 0.00 C ATOM 718 O LYS A 45 -10.015 -19.520 -0.272 1.00 0.00 O ATOM 719 CB LYS A 45 -8.084 -22.057 -0.940 1.00 0.00 C ATOM 720 CG LYS A 45 -8.610 -22.308 0.496 1.00 0.00 C ATOM 721 CD LYS A 45 -10.072 -22.823 0.525 1.00 0.00 C ATOM 722 CE LYS A 45 -10.623 -22.955 1.954 1.00 0.00 C ATOM 723 NZ LYS A 45 -9.875 -23.959 2.754 1.00 0.00 N ATOM 0 H LYS A 45 -7.457 -21.385 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.914 -21.421 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.066 -23.006 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.054 -21.707 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.965 -23.034 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.546 -21.382 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.705 -22.141 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.122 -23.792 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.573 -21.986 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.675 -23.238 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.313 -24.051 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.900 -24.878 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.887 -23.651 2.861 1.00 0.00 H new ATOM 737 N GLU A 46 -8.092 -18.796 -1.193 1.00 0.00 N ATOM 738 CA GLU A 46 -8.075 -17.480 -0.516 1.00 0.00 C ATOM 739 C GLU A 46 -9.306 -16.638 -0.905 1.00 0.00 C ATOM 740 O GLU A 46 -9.906 -15.968 -0.059 1.00 0.00 O ATOM 741 CB GLU A 46 -6.767 -16.760 -0.893 1.00 0.00 C ATOM 742 CG GLU A 46 -5.478 -17.515 -0.458 1.00 0.00 C ATOM 743 CD GLU A 46 -5.030 -17.199 0.975 1.00 0.00 C ATOM 744 OE1 GLU A 46 -5.514 -17.847 1.928 1.00 0.00 O ATOM 745 OE2 GLU A 46 -4.190 -16.283 1.160 1.00 0.00 O ATOM 0 H GLU A 46 -7.302 -18.943 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.119 -17.621 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.743 -16.615 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.766 -15.769 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.649 -18.588 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.671 -17.262 -1.145 1.00 0.00 H new ATOM 752 N ALA A 47 -9.681 -16.715 -2.192 1.00 0.00 N ATOM 753 CA ALA A 47 -10.901 -16.080 -2.713 1.00 0.00 C ATOM 754 C ALA A 47 -12.156 -16.797 -2.174 1.00 0.00 C ATOM 755 O ALA A 47 -13.108 -16.154 -1.723 1.00 0.00 O ATOM 756 CB ALA A 47 -10.874 -16.105 -4.250 1.00 0.00 C ATOM 0 H ALA A 47 -9.147 -17.219 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.939 -15.044 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.778 -15.635 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.000 -15.561 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.825 -17.137 -4.596 1.00 0.00 H new ATOM 762 N ILE A 48 -12.122 -18.142 -2.230 1.00 0.00 N ATOM 763 CA ILE A 48 -13.247 -19.021 -1.822 1.00 0.00 C ATOM 764 C ILE A 48 -13.566 -18.890 -0.308 1.00 0.00 C ATOM 765 O ILE A 48 -14.731 -18.955 0.096 1.00 0.00 O ATOM 766 CB ILE A 48 -12.937 -20.533 -2.186 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.646 -20.676 -3.717 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.083 -21.489 -1.744 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.155 -22.052 -4.141 1.00 0.00 C ATOM 0 H ILE A 48 -11.308 -18.659 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.127 -18.695 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.047 -20.829 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.556 -20.443 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.900 -19.934 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.827 -22.513 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.218 -21.421 -0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.009 -21.203 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.979 -22.060 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.226 -22.284 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.908 -22.800 -3.891 1.00 0.00 H new ATOM 781 N SER A 49 -12.525 -18.656 0.507 1.00 0.00 N ATOM 782 CA SER A 49 -12.630 -18.641 1.981 1.00 0.00 C ATOM 783 C SER A 49 -13.015 -17.241 2.484 1.00 0.00 C ATOM 784 O SER A 49 -13.943 -17.103 3.278 1.00 0.00 O ATOM 785 CB SER A 49 -11.293 -19.103 2.620 1.00 0.00 C ATOM 786 OG SER A 49 -11.402 -19.247 4.027 1.00 0.00 O ATOM 0 H SER A 49 -11.582 -18.471 0.164 1.00 0.00 H new ATOM 0 HA SER A 49 -13.415 -19.336 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.989 -20.053 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.511 -18.380 2.388 1.00 0.00 H new ATOM 0 HG SER A 49 -10.542 -19.541 4.393 1.00 0.00 H new ATOM 792 N SER A 50 -12.306 -16.213 1.988 1.00 0.00 N ATOM 793 CA SER A 50 -12.468 -14.817 2.465 1.00 0.00 C ATOM 794 C SER A 50 -13.631 -14.089 1.761 1.00 0.00 C ATOM 795 O SER A 50 -14.161 -13.091 2.278 1.00 0.00 O ATOM 796 CB SER A 50 -11.145 -14.063 2.244 1.00 0.00 C ATOM 797 OG SER A 50 -10.050 -14.770 2.800 1.00 0.00 O ATOM 0 H SER A 50 -11.609 -16.318 1.251 1.00 0.00 H new ATOM 0 HA SER A 50 -12.715 -14.842 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.982 -13.916 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.208 -13.073 2.696 1.00 0.00 H new ATOM 0 HG SER A 50 -9.669 -15.368 2.123 1.00 0.00 H new ATOM 803 N GLY A 51 -13.994 -14.585 0.564 1.00 0.00 N ATOM 804 CA GLY A 51 -15.113 -14.048 -0.213 1.00 0.00 C ATOM 805 C GLY A 51 -14.821 -12.682 -0.823 1.00 0.00 C ATOM 806 O GLY A 51 -14.114 -12.589 -1.821 1.00 0.00 O ATOM 0 H GLY A 51 -13.518 -15.367 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.363 -14.749 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.990 -13.971 0.430 1.00 0.00 H new ATOM 810 N ALA A 52 -15.359 -11.617 -0.200 1.00 0.00 N ATOM 811 CA ALA A 52 -15.229 -10.232 -0.697 1.00 0.00 C ATOM 812 C ALA A 52 -13.969 -9.541 -0.143 1.00 0.00 C ATOM 813 O ALA A 52 -13.664 -8.409 -0.534 1.00 0.00 O ATOM 814 CB ALA A 52 -16.499 -9.434 -0.346 1.00 0.00 C ATOM 0 H ALA A 52 -15.897 -11.691 0.663 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.118 -10.266 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.400 -8.413 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.365 -9.905 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.632 -9.419 0.736 1.00 0.00 H new ATOM 820 N GLU A 53 -13.241 -10.217 0.764 1.00 0.00 N ATOM 821 CA GLU A 53 -12.010 -9.671 1.361 1.00 0.00 C ATOM 822 C GLU A 53 -10.803 -9.909 0.424 1.00 0.00 C ATOM 823 O GLU A 53 -10.179 -8.956 -0.056 1.00 0.00 O ATOM 824 CB GLU A 53 -11.763 -10.303 2.747 1.00 0.00 C ATOM 825 CG GLU A 53 -10.505 -9.783 3.474 1.00 0.00 C ATOM 826 CD GLU A 53 -10.271 -10.485 4.815 1.00 0.00 C ATOM 827 OE1 GLU A 53 -11.000 -10.180 5.781 1.00 0.00 O ATOM 828 OE2 GLU A 53 -9.389 -11.370 4.906 1.00 0.00 O ATOM 0 H GLU A 53 -13.487 -11.148 1.101 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.131 -8.596 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.633 -10.118 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.678 -11.383 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.634 -9.928 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.603 -8.710 3.641 1.00 0.00 H new ATOM 835 N LEU A 54 -10.486 -11.197 0.176 1.00 0.00 N ATOM 836 CA LEU A 54 -9.372 -11.608 -0.705 1.00 0.00 C ATOM 837 C LEU A 54 -9.944 -12.229 -1.987 1.00 0.00 C ATOM 838 O LEU A 54 -11.014 -12.850 -1.966 1.00 0.00 O ATOM 839 CB LEU A 54 -8.415 -12.616 0.010 1.00 0.00 C ATOM 840 CG LEU A 54 -7.832 -12.174 1.400 1.00 0.00 C ATOM 841 CD1 LEU A 54 -6.819 -13.209 1.935 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.213 -10.761 1.349 1.00 0.00 C ATOM 0 H LEU A 54 -10.996 -11.982 0.581 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.784 -10.725 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.952 -13.554 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.579 -12.824 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.669 -12.130 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.433 -12.876 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.313 -14.173 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.995 -13.310 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.823 -10.499 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.402 -10.745 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.976 -10.040 1.057 1.00 0.00 H new ATOM 854 N ALA A 55 -9.221 -12.045 -3.095 1.00 0.00 N ATOM 855 CA ALA A 55 -9.600 -12.541 -4.431 1.00 0.00 C ATOM 856 C ALA A 55 -8.371 -13.093 -5.160 1.00 0.00 C ATOM 857 O ALA A 55 -7.249 -12.903 -4.708 1.00 0.00 O ATOM 858 CB ALA A 55 -10.260 -11.409 -5.237 1.00 0.00 C ATOM 0 H ALA A 55 -8.336 -11.537 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.319 -13.353 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.539 -11.779 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.152 -11.062 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.558 -10.582 -5.345 1.00 0.00 H new ATOM 864 N ILE A 56 -8.591 -13.782 -6.283 1.00 0.00 N ATOM 865 CA ILE A 56 -7.497 -14.281 -7.138 1.00 0.00 C ATOM 866 C ILE A 56 -6.844 -13.074 -7.852 1.00 0.00 C ATOM 867 O ILE A 56 -7.498 -12.386 -8.636 1.00 0.00 O ATOM 868 CB ILE A 56 -8.043 -15.344 -8.169 1.00 0.00 C ATOM 869 CG1 ILE A 56 -8.759 -16.512 -7.405 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.918 -15.881 -9.093 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.508 -17.512 -8.280 1.00 0.00 C ATOM 0 H ILE A 56 -9.523 -14.011 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.744 -14.785 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.770 -14.850 -8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.012 -17.053 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.463 -16.079 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.335 -16.610 -9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.482 -15.054 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.146 -16.357 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.965 -18.276 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.284 -16.993 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.811 -17.982 -8.973 1.00 0.00 H new ATOM 883 N GLY A 57 -5.561 -12.822 -7.550 1.00 0.00 N ATOM 884 CA GLY A 57 -4.874 -11.570 -7.930 1.00 0.00 C ATOM 885 C GLY A 57 -4.406 -10.768 -6.713 1.00 0.00 C ATOM 886 O GLY A 57 -3.657 -9.787 -6.845 1.00 0.00 O ATOM 0 H GLY A 57 -4.969 -13.476 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.015 -11.806 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.547 -10.957 -8.529 1.00 0.00 H new ATOM 890 N THR A 58 -4.856 -11.198 -5.525 1.00 0.00 N ATOM 891 CA THR A 58 -4.405 -10.667 -4.222 1.00 0.00 C ATOM 892 C THR A 58 -3.048 -11.322 -3.843 1.00 0.00 C ATOM 893 O THR A 58 -2.647 -12.330 -4.434 1.00 0.00 O ATOM 894 CB THR A 58 -5.520 -10.943 -3.143 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.736 -10.304 -3.567 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.177 -10.471 -1.718 1.00 0.00 C ATOM 0 H THR A 58 -5.555 -11.936 -5.437 1.00 0.00 H new ATOM 0 HA THR A 58 -4.248 -9.590 -4.275 1.00 0.00 H new ATOM 0 HB THR A 58 -5.619 -12.027 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.182 -9.903 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.005 -10.705 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.276 -10.979 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.007 -9.394 -1.722 1.00 0.00 H new ATOM 904 N VAL A 59 -2.313 -10.707 -2.902 1.00 0.00 N ATOM 905 CA VAL A 59 -1.036 -11.224 -2.383 1.00 0.00 C ATOM 906 C VAL A 59 -0.988 -11.011 -0.855 1.00 0.00 C ATOM 907 O VAL A 59 -1.201 -9.893 -0.372 1.00 0.00 O ATOM 908 CB VAL A 59 0.203 -10.514 -3.049 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.533 -11.146 -2.557 1.00 0.00 C ATOM 910 CG2 VAL A 59 0.106 -10.556 -4.596 1.00 0.00 C ATOM 0 H VAL A 59 -2.593 -9.824 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.980 -12.285 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 59 0.194 -9.468 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.374 -10.639 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.608 -11.040 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.552 -12.204 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.974 -10.059 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.077 -11.593 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.802 -10.046 -4.918 1.00 0.00 H new ATOM 920 N ARG A 60 -0.728 -12.096 -0.110 1.00 0.00 N ATOM 921 CA ARG A 60 -0.523 -12.056 1.348 1.00 0.00 C ATOM 922 C ARG A 60 0.997 -11.980 1.621 1.00 0.00 C ATOM 923 O ARG A 60 1.769 -12.737 1.038 1.00 0.00 O ATOM 924 CB ARG A 60 -1.147 -13.315 2.005 1.00 0.00 C ATOM 925 CG ARG A 60 -1.175 -13.292 3.553 1.00 0.00 C ATOM 926 CD ARG A 60 -1.704 -14.606 4.173 1.00 0.00 C ATOM 927 NE ARG A 60 -3.040 -14.984 3.664 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.157 -15.102 4.392 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.175 -14.802 5.666 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.268 -15.511 3.821 1.00 0.00 N ATOM 0 H ARG A 60 -0.653 -13.034 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.012 -11.182 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.167 -13.431 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.589 -14.193 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.168 -13.102 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.800 -12.463 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.999 -15.411 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.751 -14.498 5.257 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.118 -15.172 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.326 -14.470 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.038 -14.900 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.277 -15.737 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.121 -15.602 4.372 1.00 0.00 H new ATOM 944 N ILE A 61 1.419 -11.091 2.530 1.00 0.00 N ATOM 945 CA ILE A 61 2.843 -10.719 2.703 1.00 0.00 C ATOM 946 C ILE A 61 3.174 -10.673 4.204 1.00 0.00 C ATOM 947 O ILE A 61 2.706 -9.799 4.915 1.00 0.00 O ATOM 948 CB ILE A 61 3.167 -9.331 2.007 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.874 -9.412 0.471 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.628 -8.890 2.276 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.950 -8.103 -0.290 1.00 0.00 C ATOM 0 H ILE A 61 0.789 -10.606 3.169 1.00 0.00 H new ATOM 0 HA ILE A 61 3.466 -11.471 2.219 1.00 0.00 H new ATOM 0 HB ILE A 61 2.516 -8.573 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.580 -10.111 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.878 -9.832 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.816 -7.935 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.784 -8.783 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.313 -9.641 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.729 -8.281 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.224 -7.401 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.952 -7.685 -0.195 1.00 0.00 H new ATOM 963 N TRP A 62 3.963 -11.643 4.669 1.00 0.00 N ATOM 964 CA TRP A 62 4.327 -11.788 6.096 1.00 0.00 C ATOM 965 C TRP A 62 5.656 -11.083 6.334 1.00 0.00 C ATOM 966 O TRP A 62 6.606 -11.347 5.625 1.00 0.00 O ATOM 967 CB TRP A 62 4.436 -13.284 6.472 1.00 0.00 C ATOM 968 CG TRP A 62 3.149 -14.053 6.227 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.657 -14.464 5.020 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.206 -14.490 7.211 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.464 -15.112 5.199 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.173 -15.152 6.535 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.143 -14.388 8.604 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.083 -15.710 7.204 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.065 -14.939 9.270 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.047 -15.594 8.567 1.00 0.00 C ATOM 0 H TRP A 62 4.374 -12.359 4.070 1.00 0.00 H new ATOM 0 HA TRP A 62 3.556 -11.338 6.721 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.241 -13.740 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.709 -13.370 7.524 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.138 -14.302 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.885 -15.502 4.455 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.926 -13.885 9.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.705 -16.216 6.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.007 -14.863 10.346 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.784 -16.017 9.112 1.00 0.00 H new ATOM 987 N ILE A 63 5.717 -10.186 7.315 1.00 0.00 N ATOM 988 CA ILE A 63 6.912 -9.342 7.553 1.00 0.00 C ATOM 989 C ILE A 63 7.283 -9.342 9.022 1.00 0.00 C ATOM 990 O ILE A 63 6.522 -9.819 9.850 1.00 0.00 O ATOM 991 CB ILE A 63 6.680 -7.855 7.094 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.509 -7.178 7.881 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.426 -7.792 5.585 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.349 -5.685 7.623 1.00 0.00 C ATOM 0 H ILE A 63 4.953 -10.015 7.969 1.00 0.00 H new ATOM 0 HA ILE A 63 7.721 -9.771 6.962 1.00 0.00 H new ATOM 0 HB ILE A 63 7.588 -7.297 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.577 -7.680 7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.668 -7.334 8.948 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.268 -6.756 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.288 -8.196 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.541 -8.380 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.514 -5.302 8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.263 -5.166 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.155 -5.518 6.564 1.00 0.00 H new ATOM 1006 N ARG A 64 8.480 -8.824 9.332 1.00 0.00 N ATOM 1007 CA ARG A 64 8.850 -8.433 10.704 1.00 0.00 C ATOM 1008 C ARG A 64 7.735 -7.553 11.328 1.00 0.00 C ATOM 1009 O ARG A 64 7.267 -6.609 10.676 1.00 0.00 O ATOM 1010 CB ARG A 64 10.201 -7.675 10.691 1.00 0.00 C ATOM 1011 CG ARG A 64 11.387 -8.507 10.145 1.00 0.00 C ATOM 1012 CD ARG A 64 11.734 -9.716 11.040 1.00 0.00 C ATOM 1013 NE ARG A 64 12.027 -9.302 12.430 1.00 0.00 N ATOM 1014 CZ ARG A 64 12.023 -10.107 13.500 1.00 0.00 C ATOM 1015 NH1 ARG A 64 11.815 -11.413 13.376 1.00 0.00 N ATOM 1016 NH2 ARG A 64 12.199 -9.596 14.704 1.00 0.00 N ATOM 0 H ARG A 64 9.217 -8.664 8.645 1.00 0.00 H new ATOM 0 HA ARG A 64 8.961 -9.330 11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.094 -6.774 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.434 -7.352 11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.145 -8.861 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.263 -7.865 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.903 -10.421 11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.596 -10.239 10.627 1.00 0.00 H new ATOM 0 HE ARG A 64 12.251 -8.319 12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.655 -11.819 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.816 -12.010 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.337 -8.592 14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.197 -10.205 15.522 1.00 0.00 H new ATOM 1030 N TYR A 65 7.335 -7.905 12.571 1.00 0.00 N ATOM 1031 CA TYR A 65 6.166 -7.343 13.292 1.00 0.00 C ATOM 1032 C TYR A 65 6.194 -5.796 13.309 1.00 0.00 C ATOM 1033 O TYR A 65 6.810 -5.177 14.178 1.00 0.00 O ATOM 1034 CB TYR A 65 6.128 -7.947 14.725 1.00 0.00 C ATOM 1035 CG TYR A 65 4.873 -7.594 15.555 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.669 -8.262 15.346 1.00 0.00 C ATOM 1037 CD2 TYR A 65 4.896 -6.599 16.540 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.542 -7.962 16.091 1.00 0.00 C ATOM 1039 CE2 TYR A 65 3.776 -6.302 17.285 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.602 -6.975 17.054 1.00 0.00 C ATOM 1041 OH TYR A 65 1.490 -6.674 17.808 1.00 0.00 O ATOM 0 H TYR A 65 7.830 -8.609 13.118 1.00 0.00 H new ATOM 0 HA TYR A 65 5.250 -7.616 12.769 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.199 -9.032 14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.010 -7.608 15.268 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.614 -9.029 14.588 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.811 -6.053 16.719 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.620 -8.498 15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.821 -5.541 18.050 1.00 0.00 H new ATOM 0 HH TYR A 65 1.707 -5.956 18.439 1.00 0.00 H new ATOM 1051 N ARG A 66 5.548 -5.188 12.300 1.00 0.00 N ATOM 1052 CA ARG A 66 5.594 -3.745 12.061 1.00 0.00 C ATOM 1053 C ARG A 66 4.223 -3.126 12.392 1.00 0.00 C ATOM 1054 O ARG A 66 3.261 -3.281 11.630 1.00 0.00 O ATOM 1055 CB ARG A 66 6.003 -3.467 10.576 1.00 0.00 C ATOM 1056 CG ARG A 66 6.526 -2.032 10.286 1.00 0.00 C ATOM 1057 CD ARG A 66 8.046 -1.859 10.547 1.00 0.00 C ATOM 1058 NE ARG A 66 8.449 -2.296 11.901 1.00 0.00 N ATOM 1059 CZ ARG A 66 8.994 -1.522 12.850 1.00 0.00 C ATOM 1060 NH1 ARG A 66 9.332 -0.265 12.601 1.00 0.00 N ATOM 1061 NH2 ARG A 66 9.213 -2.026 14.053 1.00 0.00 N ATOM 0 H ARG A 66 4.975 -5.693 11.624 1.00 0.00 H new ATOM 0 HA ARG A 66 6.342 -3.285 12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.775 -4.181 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.140 -3.657 9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.314 -1.780 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.977 -1.322 10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.605 -2.430 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.316 -0.811 10.413 1.00 0.00 H new ATOM 0 HE ARG A 66 8.298 -3.277 12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.179 0.130 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.745 0.307 13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.968 -2.996 14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.627 -1.445 14.782 1.00 0.00 H new ATOM 1075 N LYS A 67 4.143 -2.443 13.543 1.00 0.00 N ATOM 1076 CA LYS A 67 2.916 -1.755 14.018 1.00 0.00 C ATOM 1077 C LYS A 67 2.732 -0.374 13.337 1.00 0.00 C ATOM 1078 O LYS A 67 1.849 0.400 13.718 1.00 0.00 O ATOM 1079 CB LYS A 67 3.006 -1.577 15.556 1.00 0.00 C ATOM 1080 CG LYS A 67 3.157 -2.895 16.345 1.00 0.00 C ATOM 1081 CD LYS A 67 3.444 -2.655 17.847 1.00 0.00 C ATOM 1082 CE LYS A 67 4.799 -1.961 18.076 1.00 0.00 C ATOM 1083 NZ LYS A 67 5.048 -1.651 19.504 1.00 0.00 N ATOM 0 H LYS A 67 4.932 -2.347 14.183 1.00 0.00 H new ATOM 0 HA LYS A 67 2.052 -2.366 13.756 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.854 -0.932 15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.110 -1.061 15.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.245 -3.483 16.242 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.967 -3.483 15.913 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.648 -2.045 18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.432 -3.609 18.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.598 -2.601 17.703 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.833 -1.038 17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.973 -1.185 19.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.302 -1.018 19.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.044 -2.532 20.056 1.00 0.00 H new ATOM 1097 N ASP A 68 3.578 -0.082 12.338 1.00 0.00 N ATOM 1098 CA ASP A 68 3.569 1.192 11.587 1.00 0.00 C ATOM 1099 C ASP A 68 2.722 1.077 10.312 1.00 0.00 C ATOM 1100 O ASP A 68 2.326 2.094 9.731 1.00 0.00 O ATOM 1101 CB ASP A 68 5.017 1.583 11.215 1.00 0.00 C ATOM 1102 CG ASP A 68 5.916 1.780 12.442 1.00 0.00 C ATOM 1103 OD1 ASP A 68 5.936 2.892 13.010 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.604 0.822 12.848 1.00 0.00 O ATOM 0 H ASP A 68 4.299 -0.730 12.021 1.00 0.00 H new ATOM 0 HA ASP A 68 3.129 1.961 12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.445 0.809 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.001 2.503 10.631 1.00 0.00 H new ATOM 1109 N ILE A 69 2.472 -0.169 9.871 1.00 0.00 N ATOM 1110 CA ILE A 69 1.728 -0.443 8.634 1.00 0.00 C ATOM 1111 C ILE A 69 0.258 -0.041 8.809 1.00 0.00 C ATOM 1112 O ILE A 69 -0.373 -0.405 9.806 1.00 0.00 O ATOM 1113 CB ILE A 69 1.822 -1.956 8.207 1.00 0.00 C ATOM 1114 CG1 ILE A 69 3.307 -2.425 8.169 1.00 0.00 C ATOM 1115 CG2 ILE A 69 1.128 -2.189 6.838 1.00 0.00 C ATOM 1116 CD1 ILE A 69 4.199 -1.638 7.229 1.00 0.00 C ATOM 0 H ILE A 69 2.779 -1.009 10.361 1.00 0.00 H new ATOM 0 HA ILE A 69 2.182 0.150 7.841 1.00 0.00 H new ATOM 0 HB ILE A 69 1.298 -2.554 8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.719 -2.362 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.334 -3.475 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.206 -3.241 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.077 -1.910 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.613 -1.579 6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.213 -2.037 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.818 -1.721 6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.209 -0.590 7.529 1.00 0.00 H new ATOM 1128 N ASN A 70 -0.249 0.733 7.845 1.00 0.00 N ATOM 1129 CA ASN A 70 -1.643 1.214 7.818 1.00 0.00 C ATOM 1130 C ASN A 70 -2.140 1.200 6.357 1.00 0.00 C ATOM 1131 O ASN A 70 -1.350 0.976 5.434 1.00 0.00 O ATOM 1132 CB ASN A 70 -1.717 2.646 8.431 1.00 0.00 C ATOM 1133 CG ASN A 70 -3.140 3.112 8.773 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.812 3.735 7.952 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -3.617 2.795 9.975 1.00 0.00 N ATOM 0 H ASN A 70 0.302 1.051 7.047 1.00 0.00 H new ATOM 0 HA ASN A 70 -2.284 0.565 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.110 2.673 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.274 3.353 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.564 3.069 10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.036 2.278 10.634 1.00 0.00 H new ATOM 1142 N ALA A 71 -3.443 1.465 6.165 1.00 0.00 N ATOM 1143 CA ALA A 71 -4.105 1.449 4.845 1.00 0.00 C ATOM 1144 C ALA A 71 -3.462 2.430 3.834 1.00 0.00 C ATOM 1145 O ALA A 71 -3.450 2.168 2.626 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.596 1.766 5.023 1.00 0.00 C ATOM 0 H ALA A 71 -4.076 1.699 6.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.978 0.451 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.089 1.755 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.053 1.017 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.707 2.752 5.475 1.00 0.00 H new ATOM 1152 N THR A 72 -2.899 3.537 4.353 1.00 0.00 N ATOM 1153 CA THR A 72 -2.299 4.610 3.532 1.00 0.00 C ATOM 1154 C THR A 72 -0.793 4.376 3.269 1.00 0.00 C ATOM 1155 O THR A 72 -0.048 5.315 2.981 1.00 0.00 O ATOM 1156 CB THR A 72 -2.560 6.006 4.196 1.00 0.00 C ATOM 1157 OG1 THR A 72 -2.138 5.982 5.573 1.00 0.00 O ATOM 1158 CG2 THR A 72 -4.046 6.399 4.128 1.00 0.00 C ATOM 0 H THR A 72 -2.846 3.715 5.356 1.00 0.00 H new ATOM 0 HA THR A 72 -2.783 4.594 2.556 1.00 0.00 H new ATOM 0 HB THR A 72 -1.984 6.747 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.302 6.858 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.187 7.372 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.361 6.451 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.644 5.653 4.652 1.00 0.00 H new ATOM 1166 N SER A 73 -0.363 3.113 3.359 1.00 0.00 N ATOM 1167 CA SER A 73 0.942 2.664 2.860 1.00 0.00 C ATOM 1168 C SER A 73 0.716 1.717 1.670 1.00 0.00 C ATOM 1169 O SER A 73 -0.398 1.219 1.451 1.00 0.00 O ATOM 1170 CB SER A 73 1.737 1.953 3.984 1.00 0.00 C ATOM 1171 OG SER A 73 1.931 2.811 5.090 1.00 0.00 O ATOM 0 H SER A 73 -0.915 2.368 3.783 1.00 0.00 H new ATOM 0 HA SER A 73 1.527 3.524 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.201 1.059 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.703 1.626 3.600 1.00 0.00 H new ATOM 0 HG SER A 73 2.433 2.339 5.786 1.00 0.00 H new ATOM 1177 N ARG A 74 1.773 1.515 0.885 1.00 0.00 N ATOM 1178 CA ARG A 74 1.831 0.469 -0.145 1.00 0.00 C ATOM 1179 C ARG A 74 3.038 -0.428 0.141 1.00 0.00 C ATOM 1180 O ARG A 74 3.972 -0.036 0.845 1.00 0.00 O ATOM 1181 CB ARG A 74 1.938 1.069 -1.568 1.00 0.00 C ATOM 1182 CG ARG A 74 0.710 1.862 -2.050 1.00 0.00 C ATOM 1183 CD ARG A 74 0.934 2.514 -3.430 1.00 0.00 C ATOM 1184 NE ARG A 74 -0.248 3.272 -3.882 1.00 0.00 N ATOM 1185 CZ ARG A 74 -0.352 3.948 -5.033 1.00 0.00 C ATOM 1186 NH1 ARG A 74 0.662 4.021 -5.885 1.00 0.00 N ATOM 1187 NH2 ARG A 74 -1.489 4.561 -5.314 1.00 0.00 N ATOM 0 H ARG A 74 2.623 2.076 0.943 1.00 0.00 H new ATOM 0 HA ARG A 74 0.908 -0.110 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.808 1.725 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.123 0.258 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.151 1.196 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.472 2.636 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.795 3.181 -3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.171 1.742 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.058 3.282 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.544 3.556 -5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.560 4.542 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.269 4.514 -4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.586 5.081 -6.186 1.00 0.00 H new ATOM 1201 N ILE A 75 2.999 -1.639 -0.412 1.00 0.00 N ATOM 1202 CA ILE A 75 4.045 -2.648 -0.244 1.00 0.00 C ATOM 1203 C ILE A 75 4.667 -2.967 -1.622 1.00 0.00 C ATOM 1204 O ILE A 75 4.141 -3.790 -2.366 1.00 0.00 O ATOM 1205 CB ILE A 75 3.437 -3.946 0.418 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.737 -3.627 1.783 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.506 -5.038 0.581 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.641 -3.066 2.868 1.00 0.00 C ATOM 0 H ILE A 75 2.227 -1.953 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 75 4.827 -2.268 0.414 1.00 0.00 H new ATOM 0 HB ILE A 75 2.670 -4.327 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.933 -2.914 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.275 -4.541 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.058 -5.920 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.908 -5.302 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.311 -4.668 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.056 -2.881 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.432 -3.783 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.084 -2.131 2.525 1.00 0.00 H new ATOM 1220 N LYS A 76 5.762 -2.277 -1.979 1.00 0.00 N ATOM 1221 CA LYS A 76 6.451 -2.510 -3.264 1.00 0.00 C ATOM 1222 C LYS A 76 7.525 -3.585 -3.085 1.00 0.00 C ATOM 1223 O LYS A 76 8.542 -3.336 -2.445 1.00 0.00 O ATOM 1224 CB LYS A 76 7.089 -1.209 -3.822 1.00 0.00 C ATOM 1225 CG LYS A 76 7.798 -1.416 -5.188 1.00 0.00 C ATOM 1226 CD LYS A 76 8.479 -0.146 -5.733 1.00 0.00 C ATOM 1227 CE LYS A 76 9.602 0.392 -4.818 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.329 1.519 -5.442 1.00 0.00 N ATOM 0 H LYS A 76 6.190 -1.555 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 76 5.708 -2.847 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.315 -0.450 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.810 -0.826 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.546 -2.202 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.067 -1.767 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.895 -0.360 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.727 0.631 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.173 0.717 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.303 -0.412 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.074 1.851 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.760 1.203 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.665 2.296 -5.634 1.00 0.00 H new ATOM 1242 N VAL A 77 7.305 -4.766 -3.671 1.00 0.00 N ATOM 1243 CA VAL A 77 8.219 -5.914 -3.528 1.00 0.00 C ATOM 1244 C VAL A 77 9.563 -5.624 -4.223 1.00 0.00 C ATOM 1245 O VAL A 77 9.600 -5.310 -5.418 1.00 0.00 O ATOM 1246 CB VAL A 77 7.572 -7.229 -4.091 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.556 -8.426 -4.072 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.287 -7.570 -3.308 1.00 0.00 C ATOM 0 H VAL A 77 6.492 -4.957 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 77 8.406 -6.066 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 77 7.317 -7.044 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.060 -9.311 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.427 -8.191 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.874 -8.619 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.849 -8.484 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.530 -7.715 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.573 -6.752 -3.406 1.00 0.00 H new ATOM 1258 N SER A 78 10.646 -5.695 -3.437 1.00 0.00 N ATOM 1259 CA SER A 78 12.013 -5.456 -3.905 1.00 0.00 C ATOM 1260 C SER A 78 12.571 -6.727 -4.563 1.00 0.00 C ATOM 1261 O SER A 78 13.230 -6.659 -5.607 1.00 0.00 O ATOM 1262 CB SER A 78 12.897 -5.012 -2.710 1.00 0.00 C ATOM 1263 OG SER A 78 14.251 -4.798 -3.084 1.00 0.00 O ATOM 0 H SER A 78 10.593 -5.924 -2.444 1.00 0.00 H new ATOM 0 HA SER A 78 12.013 -4.661 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.492 -4.094 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.855 -5.771 -1.929 1.00 0.00 H new ATOM 0 HG SER A 78 14.767 -4.519 -2.299 1.00 0.00 H new ATOM 1269 N THR A 79 12.259 -7.890 -3.963 1.00 0.00 N ATOM 1270 CA THR A 79 12.791 -9.198 -4.386 1.00 0.00 C ATOM 1271 C THR A 79 11.716 -10.278 -4.216 1.00 0.00 C ATOM 1272 O THR A 79 11.001 -10.298 -3.208 1.00 0.00 O ATOM 1273 CB THR A 79 14.075 -9.601 -3.585 1.00 0.00 C ATOM 1274 OG1 THR A 79 13.859 -9.444 -2.180 1.00 0.00 O ATOM 1275 CG2 THR A 79 15.300 -8.781 -4.005 1.00 0.00 C ATOM 0 H THR A 79 11.626 -7.949 -3.165 1.00 0.00 H new ATOM 0 HA THR A 79 13.071 -9.112 -5.436 1.00 0.00 H new ATOM 0 HB THR A 79 14.274 -10.648 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.670 -9.701 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 79 16.166 -9.096 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.498 -8.940 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 79 15.108 -7.723 -3.827 1.00 0.00 H new ATOM 1283 N GLY A 80 11.614 -11.156 -5.225 1.00 0.00 N ATOM 1284 CA GLY A 80 10.642 -12.249 -5.248 1.00 0.00 C ATOM 1285 C GLY A 80 9.983 -12.380 -6.613 1.00 0.00 C ATOM 1286 O GLY A 80 10.505 -11.850 -7.597 1.00 0.00 O ATOM 0 H GLY A 80 12.210 -11.124 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.139 -13.185 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.879 -12.075 -4.489 1.00 0.00 H new ATOM 1290 N PRO A 81 8.807 -13.073 -6.708 1.00 0.00 N ATOM 1291 CA PRO A 81 8.072 -13.257 -7.987 1.00 0.00 C ATOM 1292 C PRO A 81 7.458 -11.939 -8.512 1.00 0.00 C ATOM 1293 O PRO A 81 7.099 -11.830 -9.686 1.00 0.00 O ATOM 1294 CB PRO A 81 6.971 -14.283 -7.610 1.00 0.00 C ATOM 1295 CG PRO A 81 6.742 -14.057 -6.146 1.00 0.00 C ATOM 1296 CD PRO A 81 8.105 -13.734 -5.577 1.00 0.00 C ATOM 0 HA PRO A 81 8.721 -13.591 -8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.060 -14.119 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.294 -15.305 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.041 -13.239 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.317 -14.942 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.032 -13.076 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.627 -14.634 -5.252 1.00 0.00 H new ATOM 1304 N LEU A 82 7.339 -10.950 -7.609 1.00 0.00 N ATOM 1305 CA LEU A 82 6.731 -9.641 -7.901 1.00 0.00 C ATOM 1306 C LEU A 82 7.779 -8.522 -7.752 1.00 0.00 C ATOM 1307 O LEU A 82 7.424 -7.380 -7.458 1.00 0.00 O ATOM 1308 CB LEU A 82 5.539 -9.410 -6.930 1.00 0.00 C ATOM 1309 CG LEU A 82 4.436 -10.513 -6.917 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.387 -10.213 -5.838 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.785 -10.690 -8.312 1.00 0.00 C ATOM 0 H LEU A 82 7.666 -11.038 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 82 6.366 -9.625 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.935 -9.310 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.070 -8.460 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 82 4.913 -11.461 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.626 -10.993 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.869 -10.183 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.921 -9.249 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.022 -11.467 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.327 -9.751 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.548 -10.977 -9.036 1.00 0.00 H new ATOM 1323 N ALA A 83 9.068 -8.868 -7.967 1.00 0.00 N ATOM 1324 CA ALA A 83 10.209 -7.938 -7.790 1.00 0.00 C ATOM 1325 C ALA A 83 10.129 -6.749 -8.769 1.00 0.00 C ATOM 1326 O ALA A 83 10.513 -6.865 -9.939 1.00 0.00 O ATOM 1327 CB ALA A 83 11.536 -8.694 -7.955 1.00 0.00 C ATOM 0 H ALA A 83 9.348 -9.801 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 83 10.159 -7.530 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.368 -8.002 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.600 -9.485 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.583 -9.133 -8.952 1.00 0.00 H new ATOM 1333 N GLY A 84 9.555 -5.639 -8.285 1.00 0.00 N ATOM 1334 CA GLY A 84 9.402 -4.408 -9.064 1.00 0.00 C ATOM 1335 C GLY A 84 7.976 -3.864 -9.049 1.00 0.00 C ATOM 1336 O GLY A 84 7.761 -2.692 -9.367 1.00 0.00 O ATOM 0 H GLY A 84 9.183 -5.572 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.078 -3.649 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.701 -4.598 -10.095 1.00 0.00 H new ATOM 1340 N ARG A 85 6.998 -4.719 -8.686 1.00 0.00 N ATOM 1341 CA ARG A 85 5.562 -4.357 -8.647 1.00 0.00 C ATOM 1342 C ARG A 85 5.209 -3.737 -7.290 1.00 0.00 C ATOM 1343 O ARG A 85 5.737 -4.165 -6.254 1.00 0.00 O ATOM 1344 CB ARG A 85 4.683 -5.610 -8.887 1.00 0.00 C ATOM 1345 CG ARG A 85 4.987 -6.364 -10.200 1.00 0.00 C ATOM 1346 CD ARG A 85 4.111 -7.614 -10.367 1.00 0.00 C ATOM 1347 NE ARG A 85 4.465 -8.406 -11.561 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.722 -9.385 -12.098 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.552 -9.719 -11.577 1.00 0.00 N ATOM 1350 NH2 ARG A 85 4.153 -10.011 -13.182 1.00 0.00 N ATOM 0 H ARG A 85 7.180 -5.684 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 85 5.370 -3.630 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.814 -6.296 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.636 -5.308 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.828 -5.695 -11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.038 -6.654 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.207 -8.240 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.065 -7.313 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 85 5.351 -8.190 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.202 -9.229 -10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.001 -10.466 -11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.044 -9.748 -13.603 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.594 -10.757 -13.597 1.00 0.00 H new ATOM 1364 N VAL A 86 4.305 -2.739 -7.296 1.00 0.00 N ATOM 1365 CA VAL A 86 3.798 -2.120 -6.064 1.00 0.00 C ATOM 1366 C VAL A 86 2.407 -2.694 -5.741 1.00 0.00 C ATOM 1367 O VAL A 86 1.480 -2.624 -6.545 1.00 0.00 O ATOM 1368 CB VAL A 86 3.773 -0.536 -6.134 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.816 0.016 -7.231 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.468 0.072 -4.737 1.00 0.00 C ATOM 0 H VAL A 86 3.910 -2.344 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 86 4.487 -2.366 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 86 4.772 -0.218 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.846 1.106 -7.225 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.132 -0.351 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.799 -0.320 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.456 1.160 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.496 -0.280 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.238 -0.236 -4.030 1.00 0.00 H new ATOM 1380 N LEU A 87 2.320 -3.355 -4.594 1.00 0.00 N ATOM 1381 CA LEU A 87 1.071 -3.883 -4.040 1.00 0.00 C ATOM 1382 C LEU A 87 0.409 -2.775 -3.194 1.00 0.00 C ATOM 1383 O LEU A 87 1.096 -1.987 -2.554 1.00 0.00 O ATOM 1384 CB LEU A 87 1.355 -5.160 -3.177 1.00 0.00 C ATOM 1385 CG LEU A 87 1.928 -6.442 -3.896 1.00 0.00 C ATOM 1386 CD1 LEU A 87 0.958 -7.003 -4.934 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.315 -6.213 -4.519 1.00 0.00 C ATOM 0 H LEU A 87 3.132 -3.545 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 87 0.396 -4.177 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.056 -4.880 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.423 -5.443 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 87 2.048 -7.186 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.396 -7.884 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.023 -7.278 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.762 -6.247 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.655 -7.131 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.253 -5.417 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.021 -5.928 -3.739 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.921 -2.695 -3.234 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.716 -1.718 -2.449 1.00 0.00 C ATOM 1401 C ASN A 88 -2.439 -2.455 -1.320 1.00 0.00 C ATOM 1402 O ASN A 88 -2.983 -3.531 -1.547 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.740 -0.992 -3.376 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.144 0.200 -4.134 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -2.306 1.349 -3.725 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.410 -0.063 -5.204 1.00 0.00 N ATOM 0 H ASN A 88 -1.494 -3.308 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.055 -0.966 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.137 -1.708 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.580 -0.646 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.960 0.698 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.294 -1.026 -5.519 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.491 -1.849 -0.122 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.049 -2.501 1.075 1.00 0.00 C ATOM 1415 C ILE A 89 -4.578 -2.385 1.043 1.00 0.00 C ATOM 1416 O ILE A 89 -5.143 -1.317 1.332 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.465 -1.885 2.403 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.906 -2.021 2.411 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.101 -2.519 3.678 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.217 -1.364 3.594 1.00 0.00 C ATOM 0 H ILE A 89 -2.151 -0.902 0.044 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.763 -3.553 1.065 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.726 -0.827 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.647 -3.080 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.512 -1.587 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.666 -2.062 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.177 -2.348 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.904 -3.591 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.860 -1.510 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.440 -0.297 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.577 -1.813 4.520 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.219 -3.476 0.604 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.679 -3.591 0.562 1.00 0.00 C ATOM 1434 C ILE A 90 -7.235 -3.793 1.995 1.00 0.00 C ATOM 1435 O ILE A 90 -7.255 -4.902 2.532 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.155 -4.737 -0.433 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.431 -6.104 -0.155 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.954 -4.283 -1.902 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.991 -7.300 -0.913 1.00 0.00 C ATOM 0 H ILE A 90 -4.734 -4.308 0.266 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.087 -2.660 0.167 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.217 -4.908 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.376 -5.996 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.484 -6.314 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.283 -5.074 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.539 -3.382 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.899 -4.073 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.424 -8.194 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.038 -7.443 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.913 -7.120 -1.985 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.626 -2.674 2.627 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.133 -2.670 3.999 1.00 0.00 C ATOM 1453 C GLY A 91 -7.046 -2.287 4.998 1.00 0.00 C ATOM 1454 O GLY A 91 -6.277 -1.361 4.745 1.00 0.00 O ATOM 0 H GLY A 91 -7.597 -1.750 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.964 -1.969 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.524 -3.657 4.246 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.974 -3.015 6.121 1.00 0.00 N ATOM 1459 CA GLN A 92 -6.041 -2.739 7.233 1.00 0.00 C ATOM 1460 C GLN A 92 -5.265 -4.032 7.583 1.00 0.00 C ATOM 1461 O GLN A 92 -5.852 -5.114 7.536 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.849 -2.214 8.461 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.939 -3.187 8.967 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.794 -2.636 10.113 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.334 -1.829 10.924 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -10.039 -3.088 10.200 1.00 0.00 N ATOM 0 H GLN A 92 -7.570 -3.826 6.289 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.319 -1.975 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.156 -2.008 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.319 -1.267 8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.593 -3.447 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.461 -4.109 9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.388 -3.755 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.646 -2.768 10.954 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.937 -3.946 7.949 1.00 0.00 N ATOM 1476 CA PRO A 93 -3.087 -5.144 8.214 1.00 0.00 C ATOM 1477 C PRO A 93 -3.525 -5.915 9.481 1.00 0.00 C ATOM 1478 O PRO A 93 -4.134 -5.341 10.391 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.668 -4.543 8.381 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.922 -3.156 8.884 1.00 0.00 C ATOM 1481 CD PRO A 93 -3.170 -2.686 8.163 1.00 0.00 C ATOM 0 HA PRO A 93 -3.154 -5.882 7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.070 -5.120 9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.125 -4.532 7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.067 -3.151 9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.077 -2.501 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.733 -1.969 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.929 -2.196 7.219 1.00 0.00 H new ATOM 1489 N LEU A 94 -3.194 -7.211 9.523 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.596 -8.119 10.612 1.00 0.00 C ATOM 1491 C LEU A 94 -2.323 -8.627 11.336 1.00 0.00 C ATOM 1492 O LEU A 94 -1.585 -9.430 10.767 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.463 -9.297 10.024 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.376 -10.106 11.018 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.582 -11.086 11.903 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.238 -9.151 11.873 1.00 0.00 C ATOM 0 H LEU A 94 -2.636 -7.665 8.800 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.213 -7.598 11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.102 -8.885 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.786 -10.002 9.542 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.039 -10.718 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.267 -11.614 12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.061 -11.806 11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.855 -10.532 12.498 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.861 -9.733 12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.588 -8.493 12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.874 -8.552 11.221 1.00 0.00 H new ATOM 1508 N PRO A 95 -2.027 -8.155 12.593 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.887 -8.675 13.400 1.00 0.00 C ATOM 1510 C PRO A 95 -1.047 -10.166 13.742 1.00 0.00 C ATOM 1511 O PRO A 95 -2.159 -10.615 14.032 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.915 -7.804 14.690 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.726 -6.592 14.312 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.758 -7.086 13.325 1.00 0.00 C ATOM 0 HA PRO A 95 0.056 -8.610 12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.370 -8.342 15.522 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.091 -7.526 15.003 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.201 -6.150 15.188 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.096 -5.822 13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.645 -7.473 13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.091 -6.292 12.656 1.00 0.00 H new ATOM 1522 N ASP A 96 0.063 -10.923 13.706 1.00 0.00 N ATOM 1523 CA ASP A 96 0.074 -12.340 14.109 1.00 0.00 C ATOM 1524 C ASP A 96 -0.141 -12.447 15.639 1.00 0.00 C ATOM 1525 O ASP A 96 0.315 -11.587 16.404 1.00 0.00 O ATOM 1526 CB ASP A 96 1.401 -13.009 13.627 1.00 0.00 C ATOM 1527 CG ASP A 96 1.912 -14.165 14.502 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.251 -15.214 14.568 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.985 -14.028 15.121 1.00 0.00 O ATOM 0 H ASP A 96 0.971 -10.574 13.399 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.745 -12.881 13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.253 -13.381 12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.176 -12.244 13.576 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.843 -13.516 16.048 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.248 -13.768 17.443 1.00 0.00 C ATOM 1536 C ALA A 97 -0.043 -14.053 18.361 1.00 0.00 C ATOM 1537 O ALA A 97 -0.107 -13.802 19.567 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.241 -14.941 17.471 1.00 0.00 C ATOM 0 H ALA A 97 -1.152 -14.245 15.406 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.724 -12.867 17.829 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.546 -15.135 18.499 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.117 -14.690 16.873 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.764 -15.831 17.060 1.00 0.00 H new ATOM 1544 N ALA A 98 1.039 -14.596 17.786 1.00 0.00 N ATOM 1545 CA ALA A 98 2.289 -14.868 18.529 1.00 0.00 C ATOM 1546 C ALA A 98 3.203 -13.621 18.581 1.00 0.00 C ATOM 1547 O ALA A 98 4.191 -13.619 19.329 1.00 0.00 O ATOM 1548 CB ALA A 98 3.033 -16.062 17.907 1.00 0.00 C ATOM 0 H ALA A 98 1.079 -14.859 16.801 1.00 0.00 H new ATOM 0 HA ALA A 98 2.019 -15.119 19.555 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.951 -16.250 18.465 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.398 -16.947 17.946 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.279 -15.837 16.869 1.00 0.00 H new ATOM 1554 N ARG A 99 2.873 -12.577 17.766 1.00 0.00 N ATOM 1555 CA ARG A 99 3.646 -11.308 17.667 1.00 0.00 C ATOM 1556 C ARG A 99 5.064 -11.517 17.080 1.00 0.00 C ATOM 1557 O ARG A 99 5.901 -10.607 17.137 1.00 0.00 O ATOM 1558 CB ARG A 99 3.702 -10.540 19.034 1.00 0.00 C ATOM 1559 CG ARG A 99 2.434 -9.722 19.388 1.00 0.00 C ATOM 1560 CD ARG A 99 1.163 -10.562 19.575 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.048 -9.727 19.631 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.270 -10.165 19.952 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.466 -11.420 20.318 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -2.294 -9.330 19.908 1.00 0.00 N ATOM 0 H ARG A 99 2.056 -12.596 17.156 1.00 0.00 H new ATOM 0 HA ARG A 99 3.101 -10.680 16.962 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.882 -11.262 19.830 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.557 -9.864 19.017 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.622 -9.163 20.305 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.258 -8.991 18.599 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.075 -11.273 18.754 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.245 -11.144 20.493 1.00 0.00 H new ATOM 0 HE ARG A 99 0.053 -8.737 19.407 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.680 -12.068 20.358 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.404 -11.740 20.560 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.149 -8.359 19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.229 -9.657 20.151 1.00 0.00 H new ATOM 1578 N THR A 100 5.305 -12.694 16.474 1.00 0.00 N ATOM 1579 CA THR A 100 6.605 -13.040 15.878 1.00 0.00 C ATOM 1580 C THR A 100 6.665 -12.604 14.396 1.00 0.00 C ATOM 1581 O THR A 100 7.710 -12.743 13.762 1.00 0.00 O ATOM 1582 CB THR A 100 6.924 -14.572 16.041 1.00 0.00 C ATOM 1583 OG1 THR A 100 8.255 -14.873 15.591 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.941 -15.470 15.290 1.00 0.00 C ATOM 0 H THR A 100 4.604 -13.430 16.385 1.00 0.00 H new ATOM 0 HA THR A 100 7.376 -12.491 16.419 1.00 0.00 H new ATOM 0 HB THR A 100 6.830 -14.780 17.107 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.482 -14.296 14.832 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.214 -16.514 15.441 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.932 -15.300 15.667 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.975 -15.237 14.226 1.00 0.00 H new ATOM 1592 N ARG A 101 5.541 -12.048 13.870 1.00 0.00 N ATOM 1593 CA ARG A 101 5.489 -11.409 12.531 1.00 0.00 C ATOM 1594 C ARG A 101 4.165 -10.629 12.342 1.00 0.00 C ATOM 1595 O ARG A 101 3.312 -10.605 13.234 1.00 0.00 O ATOM 1596 CB ARG A 101 5.740 -12.406 11.339 1.00 0.00 C ATOM 1597 CG ARG A 101 4.645 -13.456 11.018 1.00 0.00 C ATOM 1598 CD ARG A 101 4.533 -14.580 12.059 1.00 0.00 C ATOM 1599 NE ARG A 101 3.884 -15.795 11.513 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.465 -16.856 12.231 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.427 -16.824 13.563 1.00 0.00 N ATOM 1602 NH2 ARG A 101 3.055 -17.944 11.590 1.00 0.00 N ATOM 0 H ARG A 101 4.648 -12.031 14.363 1.00 0.00 H new ATOM 0 HA ARG A 101 6.320 -10.704 12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.907 -11.814 10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.666 -12.943 11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.683 -12.950 10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.854 -13.897 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.529 -14.835 12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.963 -14.222 12.916 1.00 0.00 H new ATOM 0 HE ARG A 101 3.742 -15.832 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.719 -15.983 14.061 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.106 -17.640 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.060 -17.968 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.735 -18.756 12.117 1.00 0.00 H new ATOM 1616 N LEU A 102 4.011 -9.970 11.185 1.00 0.00 N ATOM 1617 CA LEU A 102 2.831 -9.156 10.852 1.00 0.00 C ATOM 1618 C LEU A 102 2.302 -9.667 9.504 1.00 0.00 C ATOM 1619 O LEU A 102 3.039 -9.681 8.514 1.00 0.00 O ATOM 1620 CB LEU A 102 3.226 -7.632 10.765 1.00 0.00 C ATOM 1621 CG LEU A 102 2.162 -6.548 11.179 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.786 -6.772 10.535 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.058 -6.424 12.711 1.00 0.00 C ATOM 0 H LEU A 102 4.711 -9.987 10.444 1.00 0.00 H new ATOM 0 HA LEU A 102 2.062 -9.244 11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.108 -7.484 11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.524 -7.426 9.737 1.00 0.00 H new ATOM 0 HG LEU A 102 2.524 -5.598 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.100 -5.991 10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.883 -6.740 9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.398 -7.745 10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.315 -5.668 12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.759 -7.383 13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.026 -6.133 13.119 1.00 0.00 H new ATOM 1635 N GLU A 103 1.041 -10.108 9.484 1.00 0.00 N ATOM 1636 CA GLU A 103 0.371 -10.533 8.253 1.00 0.00 C ATOM 1637 C GLU A 103 -0.192 -9.300 7.543 1.00 0.00 C ATOM 1638 O GLU A 103 -1.100 -8.640 8.055 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.771 -11.527 8.557 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.598 -11.956 7.325 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.850 -12.751 7.709 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -2.723 -13.951 8.006 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -3.962 -12.178 7.740 1.00 0.00 O ATOM 0 H GLU A 103 0.458 -10.180 10.318 1.00 0.00 H new ATOM 0 HA GLU A 103 1.096 -11.037 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.346 -12.417 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.441 -11.076 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.892 -11.070 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.975 -12.561 6.666 1.00 0.00 H new ATOM 1650 N ILE A 104 0.373 -8.972 6.387 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.128 -7.884 5.530 1.00 0.00 C ATOM 1652 C ILE A 104 -1.000 -8.507 4.431 1.00 0.00 C ATOM 1653 O ILE A 104 -0.702 -9.601 3.941 1.00 0.00 O ATOM 1654 CB ILE A 104 1.048 -7.047 4.871 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.148 -6.681 5.921 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.514 -5.766 4.171 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.650 -5.886 7.101 1.00 0.00 C ATOM 0 H ILE A 104 1.192 -9.448 6.010 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.703 -7.192 6.146 1.00 0.00 H new ATOM 0 HB ILE A 104 1.504 -7.681 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.604 -7.601 6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.933 -6.113 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.347 -5.218 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.190 -6.046 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.010 -5.135 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.480 -5.678 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.222 -4.946 6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.887 -6.458 7.629 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.088 -7.826 4.074 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.911 -8.192 2.920 1.00 0.00 C ATOM 1671 C LEU A 105 -2.861 -7.028 1.937 1.00 0.00 C ATOM 1672 O LEU A 105 -2.991 -5.852 2.315 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.374 -8.577 3.299 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.309 -7.456 3.879 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.777 -7.933 3.947 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.828 -6.957 5.255 1.00 0.00 C ATOM 0 H LEU A 105 -2.425 -7.005 4.576 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.507 -9.096 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.853 -8.982 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.327 -9.383 4.031 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.257 -6.611 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.400 -7.136 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.123 -8.190 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.845 -8.810 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.504 -6.183 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.817 -7.788 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.823 -6.546 5.162 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.648 -7.380 0.689 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.384 -6.440 -0.388 1.00 0.00 C ATOM 1690 C CYS A 106 -2.909 -7.029 -1.683 1.00 0.00 C ATOM 1691 O CYS A 106 -3.148 -8.216 -1.766 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.872 -6.139 -0.499 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.172 -5.314 0.939 1.00 0.00 S ATOM 0 H CYS A 106 -2.653 -8.353 0.382 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.890 -5.497 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.338 -7.075 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.701 -5.518 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 106 -1.107 -5.107 1.818 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.096 -6.192 -2.679 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.514 -6.616 -4.018 1.00 0.00 C ATOM 1701 C ARG A 107 -2.823 -5.701 -5.017 1.00 0.00 C ATOM 1702 O ARG A 107 -2.711 -4.500 -4.753 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.058 -6.562 -4.136 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.645 -7.172 -5.424 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.184 -7.233 -5.388 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.795 -5.899 -5.228 1.00 0.00 N ATOM 1707 CZ ARG A 107 -9.062 -5.665 -4.874 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.890 -6.652 -4.581 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -9.472 -4.425 -4.790 1.00 0.00 N ATOM 0 H ARG A 107 -2.963 -5.184 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.228 -7.648 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.489 -7.080 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.374 -5.521 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.326 -6.581 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.246 -8.177 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.549 -7.689 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.501 -7.876 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.201 -5.088 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.566 -7.618 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.853 -6.448 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.828 -3.660 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.435 -4.223 -4.522 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.354 -6.283 -6.137 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.461 -5.622 -7.103 1.00 0.00 C ATOM 1725 C GLU A 108 -1.940 -4.229 -7.519 1.00 0.00 C ATOM 1726 O GLU A 108 -3.149 -3.997 -7.677 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.251 -6.533 -8.329 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.142 -6.064 -9.288 1.00 0.00 C ATOM 1729 CD GLU A 108 0.214 -7.130 -10.326 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.878 -8.116 -9.948 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.183 -7.008 -11.501 1.00 0.00 O ATOM 0 H GLU A 108 -2.589 -7.240 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.506 -5.464 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.013 -7.539 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.188 -6.599 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.465 -5.156 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.748 -5.807 -8.714 1.00 0.00 H new ATOM 1738 N GLY A 109 -0.971 -3.317 -7.710 1.00 0.00 N ATOM 1739 CA GLY A 109 -1.242 -1.910 -7.965 1.00 0.00 C ATOM 1740 C GLY A 109 -1.443 -1.636 -9.436 1.00 0.00 C ATOM 1741 O GLY A 109 -0.742 -0.814 -10.038 1.00 0.00 O ATOM 0 H GLY A 109 0.023 -3.546 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.131 -1.605 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.414 -1.307 -7.593 1.00 0.00 H new