USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 29 TYR OH : rot 174:sc= -1.21! USER MOD Set 1.2: A 37 GLN : amide:sc= -5.27! C(o=-6.5!,f=-9.6!) USER MOD Set 2.1: A 8 ASN : amide:sc= -6.08! C(o=-14!,f=-20!) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -8.31! C(o=-20!,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -1.82! (180deg=-2.47!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= -0.297 (180deg=-1.04) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 40 TYR OH : rot 85:sc= 1.93 USER MOD Single : A 41 SER OG : rot 121:sc= -1.22 USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 1.19 (180deg=-0.355) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= -0.369 (180deg=-0.864) USER MOD Single : A 59 SER OG : rot -33:sc= -7.82! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.811 -4.803 11.151 1.00 0.00 N ATOM 63 CA ARG A 6 12.666 -3.709 12.163 1.00 0.00 C ATOM 64 C ARG A 6 12.067 -2.473 11.493 1.00 0.00 C ATOM 65 O ARG A 6 12.074 -2.343 10.285 1.00 0.00 O ATOM 66 CB ARG A 6 14.044 -3.357 12.739 1.00 0.00 C ATOM 67 CG ARG A 6 14.698 -4.611 13.385 1.00 0.00 C ATOM 68 CD ARG A 6 15.225 -4.278 14.787 1.00 0.00 C ATOM 69 NE ARG A 6 16.074 -5.401 15.276 1.00 0.00 N ATOM 70 CZ ARG A 6 16.860 -5.227 16.302 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.920 -4.063 16.890 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.590 -6.216 16.739 1.00 0.00 N ATOM 0 HA ARG A 6 12.010 -4.044 12.967 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.687 -2.970 11.949 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.943 -2.567 13.484 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.968 -5.419 13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.515 -4.967 12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.804 -3.355 14.760 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.392 -4.112 15.471 1.00 0.00 H new ATOM 0 HE ARG A 6 16.040 -6.307 14.808 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.352 -3.288 16.547 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.535 -3.928 17.692 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.546 -7.125 16.278 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.205 -6.080 17.541 1.00 0.00 H new ATOM 86 N ASP A 7 11.543 -1.566 12.271 1.00 0.00 N ATOM 87 CA ASP A 7 10.938 -0.337 11.687 1.00 0.00 C ATOM 88 C ASP A 7 12.033 0.694 11.409 1.00 0.00 C ATOM 89 O ASP A 7 13.193 0.361 11.265 1.00 0.00 O ATOM 90 CB ASP A 7 9.928 0.246 12.674 1.00 0.00 C ATOM 91 CG ASP A 7 10.653 0.691 13.942 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.628 0.053 14.301 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.217 1.663 14.533 1.00 0.00 O ATOM 0 H ASP A 7 11.508 -1.624 13.289 1.00 0.00 H new ATOM 0 HA ASP A 7 10.435 -0.588 10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.410 1.092 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.170 -0.499 12.918 1.00 0.00 H new ATOM 98 N ASN A 8 11.673 1.947 11.325 1.00 0.00 N ATOM 99 CA ASN A 8 12.689 3.006 11.046 1.00 0.00 C ATOM 100 C ASN A 8 13.315 3.495 12.356 1.00 0.00 C ATOM 101 O ASN A 8 13.895 4.561 12.410 1.00 0.00 O ATOM 102 CB ASN A 8 12.014 4.184 10.342 1.00 0.00 C ATOM 103 CG ASN A 8 11.378 3.704 9.039 1.00 0.00 C ATOM 104 OD1 ASN A 8 10.169 3.656 8.919 1.00 0.00 O ATOM 105 ND2 ASN A 8 12.145 3.344 8.050 1.00 0.00 N ATOM 0 H ASN A 8 10.717 2.284 11.438 1.00 0.00 H new ATOM 0 HA ASN A 8 13.469 2.589 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.254 4.622 10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.745 4.965 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.731 3.022 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.159 3.384 8.150 1.00 0.00 H new ATOM 112 N ARG A 9 13.206 2.727 13.414 1.00 0.00 N ATOM 113 CA ARG A 9 13.800 3.148 14.726 1.00 0.00 C ATOM 114 C ARG A 9 14.537 1.967 15.358 1.00 0.00 C ATOM 115 O ARG A 9 15.726 1.793 15.167 1.00 0.00 O ATOM 116 CB ARG A 9 12.684 3.617 15.669 1.00 0.00 C ATOM 117 CG ARG A 9 12.186 5.016 15.253 1.00 0.00 C ATOM 118 CD ARG A 9 13.065 6.105 15.883 1.00 0.00 C ATOM 119 NE ARG A 9 12.502 7.446 15.563 1.00 0.00 N ATOM 120 CZ ARG A 9 12.891 8.493 16.238 1.00 0.00 C ATOM 121 NH1 ARG A 9 13.769 8.364 17.195 1.00 0.00 N ATOM 122 NH2 ARG A 9 12.401 9.670 15.956 1.00 0.00 N ATOM 0 H ARG A 9 12.731 1.825 13.427 1.00 0.00 H new ATOM 0 HA ARG A 9 14.501 3.965 14.558 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.857 2.907 15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.052 3.644 16.694 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.204 5.108 14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.151 5.149 15.567 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.114 5.968 16.963 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.085 6.028 15.506 1.00 0.00 H new ATOM 0 HE ARG A 9 11.813 7.546 14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.152 7.445 17.416 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.073 9.183 17.722 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.714 9.771 15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.705 10.489 16.483 1.00 0.00 H new ATOM 136 N GLY A 10 13.850 1.154 16.114 1.00 0.00 N ATOM 137 CA GLY A 10 14.526 -0.007 16.756 1.00 0.00 C ATOM 138 C GLY A 10 13.487 -1.025 17.229 1.00 0.00 C ATOM 139 O GLY A 10 13.795 -1.936 17.972 1.00 0.00 O ATOM 0 H GLY A 10 12.854 1.244 16.314 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.210 -0.476 16.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.125 0.333 17.601 1.00 0.00 H new ATOM 143 N ARG A 11 12.258 -0.889 16.805 1.00 0.00 N ATOM 144 CA ARG A 11 11.214 -1.862 17.232 1.00 0.00 C ATOM 145 C ARG A 11 11.311 -3.101 16.341 1.00 0.00 C ATOM 146 O ARG A 11 12.238 -3.244 15.571 1.00 0.00 O ATOM 147 CB ARG A 11 9.820 -1.228 17.092 1.00 0.00 C ATOM 148 CG ARG A 11 9.516 -0.296 18.287 1.00 0.00 C ATOM 149 CD ARG A 11 10.050 1.112 18.006 1.00 0.00 C ATOM 150 NE ARG A 11 9.324 1.683 16.839 1.00 0.00 N ATOM 151 CZ ARG A 11 9.356 2.970 16.617 1.00 0.00 C ATOM 152 NH1 ARG A 11 10.018 3.757 17.419 1.00 0.00 N ATOM 153 NH2 ARG A 11 8.724 3.468 15.588 1.00 0.00 N ATOM 0 H ARG A 11 11.934 -0.148 16.183 1.00 0.00 H new ATOM 0 HA ARG A 11 11.368 -2.139 18.275 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.765 -0.663 16.162 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.064 -2.011 17.035 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.441 -0.257 18.464 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.974 -0.693 19.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.914 1.747 18.881 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.120 1.075 17.802 1.00 0.00 H new ATOM 0 HE ARG A 11 8.802 1.070 16.213 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.512 3.368 18.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.041 4.761 17.243 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.207 2.852 14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.747 4.472 15.412 1.00 0.00 H new ATOM 167 N ILE A 12 10.364 -4.001 16.447 1.00 0.00 N ATOM 168 CA ILE A 12 10.400 -5.249 15.614 1.00 0.00 C ATOM 169 C ILE A 12 9.051 -5.451 14.920 1.00 0.00 C ATOM 170 O ILE A 12 8.066 -5.789 15.546 1.00 0.00 O ATOM 171 CB ILE A 12 10.668 -6.463 16.515 1.00 0.00 C ATOM 172 CG1 ILE A 12 11.979 -6.267 17.312 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.747 -7.729 15.653 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.206 -6.660 16.474 1.00 0.00 C ATOM 0 H ILE A 12 9.564 -3.927 17.076 1.00 0.00 H new ATOM 0 HA ILE A 12 11.190 -5.150 14.870 1.00 0.00 H new ATOM 0 HB ILE A 12 9.851 -6.567 17.229 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.066 -5.226 17.622 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.948 -6.869 18.220 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.937 -8.592 16.291 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.804 -7.869 15.125 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.556 -7.627 14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.111 -6.511 17.062 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.129 -7.708 16.186 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.249 -6.040 15.579 1.00 0.00 H new ATOM 186 N LEU A 13 9.003 -5.268 13.627 1.00 0.00 N ATOM 187 CA LEU A 13 7.722 -5.473 12.888 1.00 0.00 C ATOM 188 C LEU A 13 7.633 -6.938 12.461 1.00 0.00 C ATOM 189 O LEU A 13 8.570 -7.492 11.923 1.00 0.00 O ATOM 190 CB LEU A 13 7.697 -4.585 11.639 1.00 0.00 C ATOM 191 CG LEU A 13 7.971 -3.128 12.025 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.085 -2.285 10.752 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.825 -2.593 12.898 1.00 0.00 C ATOM 0 H LEU A 13 9.795 -4.985 13.050 1.00 0.00 H new ATOM 0 HA LEU A 13 6.881 -5.214 13.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.446 -4.927 10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.728 -4.663 11.147 1.00 0.00 H new ATOM 0 HG LEU A 13 8.902 -3.071 12.589 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.280 -1.247 11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.903 -2.661 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.153 -2.346 10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.027 -1.557 13.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.889 -2.647 12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.745 -3.195 13.803 1.00 0.00 H new ATOM 205 N LYS A 14 6.517 -7.577 12.698 1.00 0.00 N ATOM 206 CA LYS A 14 6.385 -9.014 12.304 1.00 0.00 C ATOM 207 C LYS A 14 5.854 -9.093 10.865 1.00 0.00 C ATOM 208 O LYS A 14 5.480 -8.099 10.277 1.00 0.00 O ATOM 209 CB LYS A 14 5.412 -9.717 13.273 1.00 0.00 C ATOM 210 CG LYS A 14 5.774 -11.212 13.429 1.00 0.00 C ATOM 211 CD LYS A 14 6.966 -11.424 14.388 1.00 0.00 C ATOM 212 CE LYS A 14 6.657 -10.856 15.784 1.00 0.00 C ATOM 213 NZ LYS A 14 5.191 -10.930 16.045 1.00 0.00 N ATOM 0 H LYS A 14 5.695 -7.170 13.145 1.00 0.00 H new ATOM 0 HA LYS A 14 7.355 -9.509 12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.444 -9.227 14.246 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.391 -9.622 12.902 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.907 -11.757 13.803 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.017 -11.630 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.190 -12.488 14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.854 -10.940 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.200 -11.418 16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.996 -9.822 15.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.012 -10.790 17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.704 -10.189 15.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.834 -11.863 15.756 1.00 0.00 H new ATOM 227 N THR A 15 5.822 -10.267 10.296 1.00 0.00 N ATOM 228 CA THR A 15 5.322 -10.409 8.899 1.00 0.00 C ATOM 229 C THR A 15 3.998 -9.658 8.748 1.00 0.00 C ATOM 230 O THR A 15 3.298 -9.413 9.710 1.00 0.00 O ATOM 231 CB THR A 15 5.103 -11.890 8.582 1.00 0.00 C ATOM 232 OG1 THR A 15 6.327 -12.593 8.750 1.00 0.00 O ATOM 233 CG2 THR A 15 4.621 -12.041 7.138 1.00 0.00 C ATOM 0 H THR A 15 6.121 -11.136 10.739 1.00 0.00 H new ATOM 0 HA THR A 15 6.057 -9.993 8.210 1.00 0.00 H new ATOM 0 HB THR A 15 4.351 -12.299 9.257 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.189 -13.542 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.466 -13.097 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.683 -11.501 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.370 -11.633 6.460 1.00 0.00 H new ATOM 241 N GLY A 16 3.650 -9.292 7.544 1.00 0.00 N ATOM 242 CA GLY A 16 2.371 -8.559 7.330 1.00 0.00 C ATOM 243 C GLY A 16 2.541 -7.098 7.750 1.00 0.00 C ATOM 244 O GLY A 16 2.042 -6.195 7.108 1.00 0.00 O ATOM 0 H GLY A 16 4.196 -9.469 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.079 -8.615 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.573 -9.024 7.908 1.00 0.00 H new ATOM 248 N GLU A 17 3.237 -6.855 8.830 1.00 0.00 N ATOM 249 CA GLU A 17 3.435 -5.452 9.298 1.00 0.00 C ATOM 250 C GLU A 17 4.682 -4.863 8.635 1.00 0.00 C ATOM 251 O GLU A 17 5.734 -5.470 8.611 1.00 0.00 O ATOM 252 CB GLU A 17 3.622 -5.442 10.818 1.00 0.00 C ATOM 253 CG GLU A 17 2.320 -5.868 11.504 1.00 0.00 C ATOM 254 CD GLU A 17 2.145 -7.383 11.379 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.089 -8.096 11.675 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.068 -7.804 10.989 1.00 0.00 O ATOM 0 H GLU A 17 3.678 -7.570 9.409 1.00 0.00 H new ATOM 0 HA GLU A 17 2.562 -4.856 9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.430 -6.118 11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.910 -4.445 11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.340 -5.580 12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.473 -5.355 11.049 1.00 0.00 H new ATOM 263 N SER A 18 4.570 -3.677 8.100 1.00 0.00 N ATOM 264 CA SER A 18 5.742 -3.037 7.438 1.00 0.00 C ATOM 265 C SER A 18 5.542 -1.522 7.421 1.00 0.00 C ATOM 266 O SER A 18 4.812 -0.974 8.222 1.00 0.00 O ATOM 267 CB SER A 18 5.861 -3.553 6.003 1.00 0.00 C ATOM 268 OG SER A 18 4.702 -3.176 5.272 1.00 0.00 O ATOM 0 H SER A 18 3.714 -3.122 8.093 1.00 0.00 H new ATOM 0 HA SER A 18 6.652 -3.281 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.753 -3.143 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.969 -4.638 6.002 1.00 0.00 H new ATOM 0 HG SER A 18 4.775 -3.503 4.351 1.00 0.00 H new ATOM 274 N GLN A 19 6.180 -0.839 6.510 1.00 0.00 N ATOM 275 CA GLN A 19 6.020 0.643 6.439 1.00 0.00 C ATOM 276 C GLN A 19 6.283 1.112 5.008 1.00 0.00 C ATOM 277 O GLN A 19 7.088 0.546 4.297 1.00 0.00 O ATOM 278 CB GLN A 19 7.011 1.317 7.394 1.00 0.00 C ATOM 279 CG GLN A 19 8.437 0.877 7.056 1.00 0.00 C ATOM 280 CD GLN A 19 9.374 1.255 8.204 1.00 0.00 C ATOM 281 OE1 GLN A 19 10.654 1.359 7.976 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 8.937 1.456 9.319 1.00 0.00 N flip ATOM 0 H GLN A 19 6.805 -1.242 5.812 1.00 0.00 H new ATOM 0 HA GLN A 19 5.005 0.913 6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.927 2.401 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.774 1.053 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.466 -0.200 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.766 1.353 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.936 1.375 9.497 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.571 1.706 10.078 1.00 0.00 H new ATOM 291 N ARG A 20 5.601 2.137 4.576 1.00 0.00 N ATOM 292 CA ARG A 20 5.807 2.633 3.186 1.00 0.00 C ATOM 293 C ARG A 20 7.108 3.436 3.112 1.00 0.00 C ATOM 294 O ARG A 20 8.056 3.177 3.828 1.00 0.00 O ATOM 295 CB ARG A 20 4.612 3.518 2.774 1.00 0.00 C ATOM 296 CG ARG A 20 4.395 3.437 1.254 1.00 0.00 C ATOM 297 CD ARG A 20 3.548 4.623 0.785 1.00 0.00 C ATOM 298 NE ARG A 20 4.370 5.865 0.815 1.00 0.00 N ATOM 299 CZ ARG A 20 3.967 6.927 0.174 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.854 6.895 -0.505 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.679 8.020 0.210 1.00 0.00 N ATOM 0 H ARG A 20 4.912 2.651 5.124 1.00 0.00 H new ATOM 0 HA ARG A 20 5.876 1.786 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.712 3.193 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.796 4.551 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.356 3.439 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.899 2.501 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.179 4.443 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.675 4.737 1.428 1.00 0.00 H new ATOM 0 HE ARG A 20 5.247 5.885 1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.299 6.040 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.538 7.725 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.551 8.044 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.364 8.851 -0.291 1.00 0.00 H new ATOM 315 N LYS A 21 7.157 4.405 2.242 1.00 0.00 N ATOM 316 CA LYS A 21 8.387 5.236 2.090 1.00 0.00 C ATOM 317 C LYS A 21 8.260 6.508 2.934 1.00 0.00 C ATOM 318 O LYS A 21 9.242 7.076 3.368 1.00 0.00 O ATOM 319 CB LYS A 21 8.541 5.608 0.610 1.00 0.00 C ATOM 320 CG LYS A 21 8.778 4.329 -0.235 1.00 0.00 C ATOM 321 CD LYS A 21 8.081 4.449 -1.598 1.00 0.00 C ATOM 322 CE LYS A 21 8.612 5.666 -2.354 1.00 0.00 C ATOM 323 NZ LYS A 21 10.095 5.731 -2.221 1.00 0.00 N ATOM 0 H LYS A 21 6.389 4.661 1.622 1.00 0.00 H new ATOM 0 HA LYS A 21 9.260 4.678 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.647 6.124 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.376 6.297 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.847 4.174 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.399 3.458 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.251 3.545 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.004 4.540 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.334 5.603 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.161 6.577 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.496 6.224 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.343 6.248 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.482 4.767 -2.173 1.00 0.00 H new ATOM 337 N ASP A 22 7.057 6.960 3.169 1.00 0.00 N ATOM 338 CA ASP A 22 6.866 8.197 3.985 1.00 0.00 C ATOM 339 C ASP A 22 6.888 7.839 5.474 1.00 0.00 C ATOM 340 O ASP A 22 6.472 8.613 6.313 1.00 0.00 O ATOM 341 CB ASP A 22 5.518 8.833 3.634 1.00 0.00 C ATOM 342 CG ASP A 22 5.616 9.523 2.272 1.00 0.00 C ATOM 343 OD1 ASP A 22 6.523 9.192 1.527 1.00 0.00 O ATOM 344 OD2 ASP A 22 4.783 10.371 1.999 1.00 0.00 O ATOM 0 H ASP A 22 6.197 6.527 2.832 1.00 0.00 H new ATOM 0 HA ASP A 22 7.670 8.901 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.739 8.071 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.235 9.555 4.400 1.00 0.00 H new ATOM 349 N GLY A 23 7.366 6.673 5.809 1.00 0.00 N ATOM 350 CA GLY A 23 7.409 6.268 7.241 1.00 0.00 C ATOM 351 C GLY A 23 6.012 5.830 7.680 1.00 0.00 C ATOM 352 O GLY A 23 5.774 5.536 8.836 1.00 0.00 O ATOM 0 H GLY A 23 7.729 5.983 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.119 5.453 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.753 7.099 7.857 1.00 0.00 H new ATOM 356 N ARG A 24 5.087 5.784 6.763 1.00 0.00 N ATOM 357 CA ARG A 24 3.702 5.368 7.116 1.00 0.00 C ATOM 358 C ARG A 24 3.684 3.888 7.477 1.00 0.00 C ATOM 359 O ARG A 24 4.098 3.052 6.702 1.00 0.00 O ATOM 360 CB ARG A 24 2.784 5.564 5.909 1.00 0.00 C ATOM 361 CG ARG A 24 2.489 7.043 5.702 1.00 0.00 C ATOM 362 CD ARG A 24 1.711 7.204 4.397 1.00 0.00 C ATOM 363 NE ARG A 24 1.149 8.577 4.309 1.00 0.00 N ATOM 364 CZ ARG A 24 0.782 9.052 3.153 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.960 8.344 2.071 1.00 0.00 N ATOM 366 NH2 ARG A 24 0.247 10.239 3.077 1.00 0.00 N ATOM 0 H ARG A 24 5.231 6.018 5.781 1.00 0.00 H new ATOM 0 HA ARG A 24 3.362 5.970 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.254 5.152 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.853 5.018 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.910 7.435 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.418 7.613 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.367 7.015 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.907 6.469 4.350 1.00 0.00 H new ATOM 0 HE ARG A 24 1.051 9.145 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.386 7.419 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.673 8.715 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.116 10.795 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.041 10.612 2.172 1.00 0.00 H new ATOM 380 N TYR A 25 3.169 3.548 8.621 1.00 0.00 N ATOM 381 CA TYR A 25 3.089 2.111 8.976 1.00 0.00 C ATOM 382 C TYR A 25 1.959 1.512 8.148 1.00 0.00 C ATOM 383 O TYR A 25 0.905 2.109 8.014 1.00 0.00 O ATOM 384 CB TYR A 25 2.778 1.954 10.467 1.00 0.00 C ATOM 385 CG TYR A 25 3.953 2.449 11.279 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.182 1.782 11.202 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.816 3.572 12.106 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.273 2.238 11.952 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.908 4.026 12.855 1.00 0.00 C ATOM 390 CZ TYR A 25 6.137 3.360 12.777 1.00 0.00 C ATOM 391 OH TYR A 25 7.213 3.810 13.516 1.00 0.00 O ATOM 0 H TYR A 25 2.804 4.196 9.319 1.00 0.00 H new ATOM 0 HA TYR A 25 4.035 1.608 8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.881 2.517 10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.576 0.909 10.700 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.288 0.917 10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.869 4.087 12.165 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.221 1.723 11.894 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.802 4.891 13.493 1.00 0.00 H new ATOM 0 HH TYR A 25 6.948 4.599 14.033 1.00 0.00 H new ATOM 401 N LEU A 26 2.158 0.353 7.569 1.00 0.00 N ATOM 402 CA LEU A 26 1.080 -0.253 6.732 1.00 0.00 C ATOM 403 C LEU A 26 1.025 -1.762 6.957 1.00 0.00 C ATOM 404 O LEU A 26 2.009 -2.397 7.280 1.00 0.00 O ATOM 405 CB LEU A 26 1.337 0.067 5.240 1.00 0.00 C ATOM 406 CG LEU A 26 2.329 -0.944 4.600 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.567 -2.146 3.984 1.00 0.00 C ATOM 408 CD2 LEU A 26 3.143 -0.240 3.501 1.00 0.00 C ATOM 0 H LEU A 26 3.015 -0.195 7.640 1.00 0.00 H new ATOM 0 HA LEU A 26 0.118 0.171 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.393 0.046 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.736 1.077 5.148 1.00 0.00 H new ATOM 0 HG LEU A 26 2.996 -1.314 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.281 -2.841 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.000 -2.655 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.884 -1.788 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.839 -0.949 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.467 0.140 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.701 0.589 3.936 1.00 0.00 H new ATOM 420 N TYR A 27 -0.135 -2.331 6.777 1.00 0.00 N ATOM 421 CA TYR A 27 -0.315 -3.798 6.961 1.00 0.00 C ATOM 422 C TYR A 27 -1.067 -4.339 5.744 1.00 0.00 C ATOM 423 O TYR A 27 -2.201 -3.977 5.487 1.00 0.00 O ATOM 424 CB TYR A 27 -1.118 -4.037 8.241 1.00 0.00 C ATOM 425 CG TYR A 27 -1.589 -5.467 8.313 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.691 -6.486 8.646 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.930 -5.771 8.061 1.00 0.00 C ATOM 428 CE1 TYR A 27 -1.135 -7.810 8.726 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.374 -7.091 8.139 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.477 -8.114 8.471 1.00 0.00 C ATOM 431 OH TYR A 27 -2.916 -9.420 8.549 1.00 0.00 O ATOM 0 H TYR A 27 -0.981 -1.831 6.505 1.00 0.00 H new ATOM 0 HA TYR A 27 0.645 -4.307 7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.503 -3.807 9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.975 -3.364 8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.345 -6.251 8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.623 -4.983 7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.442 -8.597 8.984 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.410 -7.324 7.943 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.874 -9.456 8.344 1.00 0.00 H new ATOM 441 N LYS A 28 -0.426 -5.183 4.980 1.00 0.00 N ATOM 442 CA LYS A 28 -1.070 -5.753 3.757 1.00 0.00 C ATOM 443 C LYS A 28 -1.616 -7.152 4.074 1.00 0.00 C ATOM 444 O LYS A 28 -0.999 -7.916 4.790 1.00 0.00 O ATOM 445 CB LYS A 28 -0.013 -5.837 2.634 1.00 0.00 C ATOM 446 CG LYS A 28 -0.663 -5.586 1.261 1.00 0.00 C ATOM 447 CD LYS A 28 0.245 -6.135 0.139 1.00 0.00 C ATOM 448 CE LYS A 28 0.033 -5.339 -1.156 1.00 0.00 C ATOM 449 NZ LYS A 28 0.500 -6.150 -2.316 1.00 0.00 N ATOM 0 H LYS A 28 0.526 -5.506 5.152 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.895 -5.118 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.773 -5.102 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.460 -6.819 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.640 -6.068 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.828 -4.518 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.289 -6.074 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.025 -7.188 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.021 -5.089 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.581 -4.398 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.357 -5.613 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.511 -6.367 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.042 -7.037 -2.360 1.00 0.00 H new ATOM 463 N TYR A 29 -2.753 -7.506 3.534 1.00 0.00 N ATOM 464 CA TYR A 29 -3.306 -8.867 3.798 1.00 0.00 C ATOM 465 C TYR A 29 -4.195 -9.290 2.626 1.00 0.00 C ATOM 466 O TYR A 29 -5.026 -8.538 2.155 1.00 0.00 O ATOM 467 CB TYR A 29 -4.097 -8.874 5.118 1.00 0.00 C ATOM 468 CG TYR A 29 -5.499 -8.334 4.929 1.00 0.00 C ATOM 469 CD1 TYR A 29 -6.512 -9.185 4.472 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.790 -6.996 5.225 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.815 -8.701 4.311 1.00 0.00 C ATOM 472 CE2 TYR A 29 -7.094 -6.511 5.061 1.00 0.00 C ATOM 473 CZ TYR A 29 -8.106 -7.365 4.604 1.00 0.00 C ATOM 474 OH TYR A 29 -9.392 -6.891 4.447 1.00 0.00 O ATOM 0 H TYR A 29 -3.320 -6.915 2.925 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.487 -9.580 3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.147 -9.891 5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.572 -8.274 5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.288 -10.216 4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.010 -6.339 5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.596 -9.359 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.319 -5.479 5.287 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.445 -5.972 4.783 1.00 0.00 H new ATOM 484 N ILE A 30 -4.009 -10.486 2.147 1.00 0.00 N ATOM 485 CA ILE A 30 -4.821 -10.972 0.997 1.00 0.00 C ATOM 486 C ILE A 30 -6.213 -11.378 1.487 1.00 0.00 C ATOM 487 O ILE A 30 -6.353 -12.211 2.362 1.00 0.00 O ATOM 488 CB ILE A 30 -4.114 -12.185 0.369 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.597 -11.971 0.409 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.563 -12.375 -1.082 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.225 -10.633 -0.230 1.00 0.00 C ATOM 0 H ILE A 30 -3.325 -11.153 2.504 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.925 -10.181 0.254 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.377 -13.077 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.248 -11.997 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.096 -12.783 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.053 -13.238 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.640 -12.539 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.316 -11.484 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.144 -10.500 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.556 -10.621 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.710 -9.823 0.314 1.00 0.00 H new ATOM 503 N ASP A 31 -7.246 -10.803 0.934 1.00 0.00 N ATOM 504 CA ASP A 31 -8.620 -11.170 1.379 1.00 0.00 C ATOM 505 C ASP A 31 -9.017 -12.514 0.760 1.00 0.00 C ATOM 506 O ASP A 31 -8.237 -13.149 0.076 1.00 0.00 O ATOM 507 CB ASP A 31 -9.610 -10.096 0.927 1.00 0.00 C ATOM 508 CG ASP A 31 -9.199 -8.743 1.504 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.008 -8.511 1.631 1.00 0.00 O ATOM 510 OD2 ASP A 31 -10.084 -7.963 1.814 1.00 0.00 O ATOM 0 H ASP A 31 -7.199 -10.099 0.197 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.637 -11.248 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.635 -10.046 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.616 -10.353 1.258 1.00 0.00 H new ATOM 515 N SER A 32 -10.220 -12.957 1.006 1.00 0.00 N ATOM 516 CA SER A 32 -10.674 -14.266 0.448 1.00 0.00 C ATOM 517 C SER A 32 -10.913 -14.145 -1.059 1.00 0.00 C ATOM 518 O SER A 32 -11.307 -15.090 -1.713 1.00 0.00 O ATOM 519 CB SER A 32 -11.977 -14.671 1.136 1.00 0.00 C ATOM 520 OG SER A 32 -12.788 -13.519 1.316 1.00 0.00 O ATOM 0 H SER A 32 -10.912 -12.467 1.572 1.00 0.00 H new ATOM 0 HA SER A 32 -9.905 -15.019 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.505 -15.411 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.765 -15.135 2.099 1.00 0.00 H new ATOM 0 HG SER A 32 -13.626 -13.774 1.756 1.00 0.00 H new ATOM 526 N PHE A 33 -10.687 -12.991 -1.610 1.00 0.00 N ATOM 527 CA PHE A 33 -10.907 -12.796 -3.075 1.00 0.00 C ATOM 528 C PHE A 33 -9.584 -13.010 -3.817 1.00 0.00 C ATOM 529 O PHE A 33 -9.563 -13.378 -4.975 1.00 0.00 O ATOM 530 CB PHE A 33 -11.409 -11.360 -3.314 1.00 0.00 C ATOM 531 CG PHE A 33 -12.919 -11.315 -3.210 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.706 -11.623 -4.327 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.528 -10.967 -1.999 1.00 0.00 C ATOM 534 CE1 PHE A 33 -15.102 -11.585 -4.231 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.924 -10.929 -1.903 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.712 -11.237 -3.019 1.00 0.00 C ATOM 0 H PHE A 33 -10.357 -12.165 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.645 -13.509 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.966 -10.685 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.094 -11.015 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.236 -11.890 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.921 -10.728 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.709 -11.824 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -15.394 -10.662 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.789 -11.206 -2.945 1.00 0.00 H new ATOM 546 N GLY A 34 -8.482 -12.777 -3.158 1.00 0.00 N ATOM 547 CA GLY A 34 -7.150 -12.958 -3.814 1.00 0.00 C ATOM 548 C GLY A 34 -6.610 -11.590 -4.228 1.00 0.00 C ATOM 549 O GLY A 34 -5.719 -11.488 -5.047 1.00 0.00 O ATOM 0 H GLY A 34 -8.444 -12.467 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.456 -13.445 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.244 -13.605 -4.686 1.00 0.00 H new ATOM 553 N GLU A 35 -7.154 -10.537 -3.666 1.00 0.00 N ATOM 554 CA GLU A 35 -6.695 -9.153 -4.014 1.00 0.00 C ATOM 555 C GLU A 35 -6.095 -8.479 -2.765 1.00 0.00 C ATOM 556 O GLU A 35 -6.813 -8.177 -1.832 1.00 0.00 O ATOM 557 CB GLU A 35 -7.900 -8.336 -4.484 1.00 0.00 C ATOM 558 CG GLU A 35 -8.596 -9.069 -5.633 1.00 0.00 C ATOM 559 CD GLU A 35 -7.639 -9.179 -6.821 1.00 0.00 C ATOM 560 OE1 GLU A 35 -6.779 -8.323 -6.946 1.00 0.00 O ATOM 561 OE2 GLU A 35 -7.783 -10.119 -7.586 1.00 0.00 O ATOM 0 H GLU A 35 -7.903 -10.577 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.942 -9.205 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.596 -8.187 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.578 -7.348 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.907 -10.062 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.498 -8.533 -5.927 1.00 0.00 H new ATOM 568 N PRO A 36 -4.799 -8.236 -2.727 1.00 0.00 N ATOM 569 CA PRO A 36 -4.152 -7.584 -1.550 1.00 0.00 C ATOM 570 C PRO A 36 -4.951 -6.377 -1.041 1.00 0.00 C ATOM 571 O PRO A 36 -5.577 -5.669 -1.805 1.00 0.00 O ATOM 572 CB PRO A 36 -2.782 -7.151 -2.083 1.00 0.00 C ATOM 573 CG PRO A 36 -2.463 -8.138 -3.159 1.00 0.00 C ATOM 574 CD PRO A 36 -3.806 -8.545 -3.780 1.00 0.00 C ATOM 0 HA PRO A 36 -4.088 -8.257 -0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.813 -6.134 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.028 -7.166 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.805 -7.698 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.945 -9.005 -2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.008 -7.987 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.820 -9.603 -4.043 1.00 0.00 H new ATOM 582 N GLN A 37 -4.928 -6.142 0.248 1.00 0.00 N ATOM 583 CA GLN A 37 -5.678 -4.985 0.835 1.00 0.00 C ATOM 584 C GLN A 37 -4.729 -4.186 1.735 1.00 0.00 C ATOM 585 O GLN A 37 -4.007 -4.741 2.537 1.00 0.00 O ATOM 586 CB GLN A 37 -6.858 -5.514 1.657 1.00 0.00 C ATOM 587 CG GLN A 37 -7.850 -4.374 1.908 1.00 0.00 C ATOM 588 CD GLN A 37 -9.013 -4.877 2.763 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.073 -4.608 3.946 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.950 -5.594 2.208 1.00 0.00 N ATOM 0 H GLN A 37 -4.417 -6.707 0.926 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.057 -4.340 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.350 -6.329 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.504 -5.919 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.348 -3.547 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.224 -3.990 0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.899 -5.819 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.734 -5.929 2.767 1.00 0.00 H new ATOM 599 N PHE A 38 -4.702 -2.884 1.587 1.00 0.00 N ATOM 600 CA PHE A 38 -3.772 -2.043 2.409 1.00 0.00 C ATOM 601 C PHE A 38 -4.481 -1.441 3.634 1.00 0.00 C ATOM 602 O PHE A 38 -5.655 -1.126 3.609 1.00 0.00 O ATOM 603 CB PHE A 38 -3.262 -0.875 1.539 1.00 0.00 C ATOM 604 CG PHE A 38 -2.003 -1.252 0.794 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.085 -1.995 -0.384 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.756 -0.823 1.265 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.925 -2.310 -1.092 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.408 -1.144 0.558 1.00 0.00 C ATOM 609 CZ PHE A 38 0.322 -1.886 -0.623 1.00 0.00 C ATOM 0 H PHE A 38 -5.285 -2.365 0.931 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.957 -2.681 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.035 -0.585 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.068 -0.007 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.046 -2.326 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.693 -0.244 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.990 -2.883 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.371 -0.819 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.218 -2.132 -1.173 1.00 0.00 H new ATOM 619 N VAL A 39 -3.726 -1.226 4.679 1.00 0.00 N ATOM 620 CA VAL A 39 -4.258 -0.578 5.915 1.00 0.00 C ATOM 621 C VAL A 39 -3.163 0.384 6.396 1.00 0.00 C ATOM 622 O VAL A 39 -2.165 -0.032 6.942 1.00 0.00 O ATOM 623 CB VAL A 39 -4.558 -1.638 6.982 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.071 -0.959 8.256 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.632 -2.593 6.453 1.00 0.00 C ATOM 0 H VAL A 39 -2.739 -1.479 4.729 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.190 -0.047 5.721 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.647 -2.192 7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.283 -1.716 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.313 -0.272 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.983 -0.405 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.850 -3.349 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.539 -2.032 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.272 -3.078 5.546 1.00 0.00 H new ATOM 635 N TYR A 40 -3.313 1.665 6.140 1.00 0.00 N ATOM 636 CA TYR A 40 -2.243 2.653 6.517 1.00 0.00 C ATOM 637 C TYR A 40 -2.539 3.329 7.862 1.00 0.00 C ATOM 638 O TYR A 40 -3.615 3.219 8.416 1.00 0.00 O ATOM 639 CB TYR A 40 -2.181 3.751 5.446 1.00 0.00 C ATOM 640 CG TYR A 40 -1.558 3.228 4.174 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.164 3.210 4.033 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.371 2.784 3.124 1.00 0.00 C ATOM 643 CE1 TYR A 40 0.414 2.745 2.845 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.792 2.323 1.936 1.00 0.00 C ATOM 645 CZ TYR A 40 -0.401 2.304 1.796 1.00 0.00 C ATOM 646 OH TYR A 40 0.168 1.853 0.621 1.00 0.00 O ATOM 0 H TYR A 40 -4.131 2.071 5.686 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.302 2.109 6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.186 4.120 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.602 4.596 5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.465 3.555 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.446 2.797 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.489 2.727 2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.420 1.982 1.127 1.00 0.00 H new ATOM 0 HH TYR A 40 0.405 0.907 0.714 1.00 0.00 H new ATOM 656 N SER A 41 -1.566 4.048 8.369 1.00 0.00 N ATOM 657 CA SER A 41 -1.726 4.777 9.662 1.00 0.00 C ATOM 658 C SER A 41 -0.471 5.634 9.885 1.00 0.00 C ATOM 659 O SER A 41 0.239 5.947 8.950 1.00 0.00 O ATOM 660 CB SER A 41 -1.885 3.771 10.811 1.00 0.00 C ATOM 661 OG SER A 41 -0.633 3.590 11.462 1.00 0.00 O ATOM 0 H SER A 41 -0.652 4.161 7.931 1.00 0.00 H new ATOM 0 HA SER A 41 -2.613 5.410 9.632 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.628 4.131 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.248 2.818 10.426 1.00 0.00 H new ATOM 0 HG SER A 41 -0.718 3.834 12.407 1.00 0.00 H new ATOM 667 N TRP A 42 -0.182 6.013 11.108 1.00 0.00 N ATOM 668 CA TRP A 42 1.039 6.842 11.370 1.00 0.00 C ATOM 669 C TRP A 42 1.690 6.368 12.672 1.00 0.00 C ATOM 670 O TRP A 42 2.893 6.428 12.840 1.00 0.00 O ATOM 671 CB TRP A 42 0.640 8.318 11.519 1.00 0.00 C ATOM 672 CG TRP A 42 0.423 8.941 10.175 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.759 9.427 9.726 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.391 9.169 9.110 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.576 9.938 8.453 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.731 9.801 8.029 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.764 8.891 8.977 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.410 10.147 6.861 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.450 9.237 7.801 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.774 9.864 6.745 1.00 0.00 C ATOM 0 H TRP A 42 -0.736 5.785 11.933 1.00 0.00 H new ATOM 0 HA TRP A 42 1.737 6.737 10.539 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.270 8.397 12.114 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.419 8.859 12.056 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.691 9.417 10.272 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.316 10.364 7.896 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.294 8.408 9.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.885 10.631 6.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.504 9.019 7.710 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.306 10.128 5.843 1.00 0.00 H new ATOM 691 N LYS A 43 0.896 5.919 13.604 1.00 0.00 N ATOM 692 CA LYS A 43 1.435 5.458 14.919 1.00 0.00 C ATOM 693 C LYS A 43 1.561 3.929 14.938 1.00 0.00 C ATOM 694 O LYS A 43 0.630 3.220 14.612 1.00 0.00 O ATOM 695 CB LYS A 43 0.462 5.904 16.019 1.00 0.00 C ATOM 696 CG LYS A 43 -0.051 7.314 15.700 1.00 0.00 C ATOM 697 CD LYS A 43 -0.945 7.819 16.835 1.00 0.00 C ATOM 698 CE LYS A 43 -2.098 6.839 17.088 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.226 7.564 17.739 1.00 0.00 N ATOM 0 H LYS A 43 -0.117 5.850 13.511 1.00 0.00 H new ATOM 0 HA LYS A 43 2.423 5.888 15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.373 5.207 16.086 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.962 5.897 16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.791 7.992 15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.610 7.303 14.764 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.356 7.939 17.744 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.344 8.801 16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.428 6.398 16.148 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.762 6.020 17.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.471 7.094 18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.943 8.546 17.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.052 7.559 17.108 1.00 0.00 H new ATOM 713 N LEU A 44 2.692 3.413 15.342 1.00 0.00 N ATOM 714 CA LEU A 44 2.844 1.931 15.402 1.00 0.00 C ATOM 715 C LEU A 44 1.964 1.410 16.533 1.00 0.00 C ATOM 716 O LEU A 44 1.304 0.405 16.402 1.00 0.00 O ATOM 717 CB LEU A 44 4.310 1.561 15.660 1.00 0.00 C ATOM 718 CG LEU A 44 4.477 0.033 15.711 1.00 0.00 C ATOM 719 CD1 LEU A 44 4.053 -0.599 14.372 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.948 -0.297 15.995 1.00 0.00 C ATOM 0 H LEU A 44 3.510 3.949 15.631 1.00 0.00 H new ATOM 0 HA LEU A 44 2.543 1.483 14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.940 1.976 14.873 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.643 2.001 16.600 1.00 0.00 H new ATOM 0 HG LEU A 44 3.844 -0.372 16.501 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.177 -1.681 14.425 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.008 -0.363 14.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.674 -0.201 13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.077 -1.379 16.033 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.573 0.115 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.240 0.137 16.951 1.00 0.00 H new ATOM 732 N VAL A 45 1.921 2.119 17.633 1.00 0.00 N ATOM 733 CA VAL A 45 1.055 1.702 18.782 1.00 0.00 C ATOM 734 C VAL A 45 0.338 2.947 19.293 1.00 0.00 C ATOM 735 O VAL A 45 0.773 4.060 19.072 1.00 0.00 O ATOM 736 CB VAL A 45 1.905 1.070 19.906 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.965 0.134 19.312 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.601 2.165 20.727 1.00 0.00 C ATOM 0 H VAL A 45 2.452 2.976 17.787 1.00 0.00 H new ATOM 0 HA VAL A 45 0.334 0.951 18.458 1.00 0.00 H new ATOM 0 HB VAL A 45 1.241 0.498 20.554 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.556 -0.304 20.117 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.475 -0.660 18.749 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.619 0.700 18.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.197 1.705 21.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.251 2.750 20.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.851 2.818 21.173 1.00 0.00 H new ATOM 748 N ALA A 46 -0.765 2.779 19.952 1.00 0.00 N ATOM 749 CA ALA A 46 -1.505 3.964 20.444 1.00 0.00 C ATOM 750 C ALA A 46 -0.696 4.656 21.541 1.00 0.00 C ATOM 751 O ALA A 46 -1.084 4.700 22.691 1.00 0.00 O ATOM 752 CB ALA A 46 -2.879 3.517 20.956 1.00 0.00 C ATOM 0 H ALA A 46 -1.186 1.876 20.171 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.654 4.681 19.637 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.431 4.383 21.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.435 3.048 20.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.750 2.802 21.768 1.00 0.00 H new ATOM 758 N THR A 47 0.426 5.212 21.171 1.00 0.00 N ATOM 759 CA THR A 47 1.284 5.930 22.153 1.00 0.00 C ATOM 760 C THR A 47 2.046 7.032 21.416 1.00 0.00 C ATOM 761 O THR A 47 2.248 8.116 21.927 1.00 0.00 O ATOM 762 CB THR A 47 2.277 4.955 22.786 1.00 0.00 C ATOM 763 OG1 THR A 47 1.569 3.856 23.342 1.00 0.00 O ATOM 764 CG2 THR A 47 3.050 5.672 23.887 1.00 0.00 C ATOM 0 H THR A 47 0.788 5.198 20.217 1.00 0.00 H new ATOM 0 HA THR A 47 0.666 6.362 22.940 1.00 0.00 H new ATOM 0 HB THR A 47 2.971 4.593 22.028 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.204 3.229 23.747 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.760 4.981 24.342 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.589 6.518 23.461 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.354 6.030 24.646 1.00 0.00 H new ATOM 772 N ASP A 48 2.463 6.758 20.209 1.00 0.00 N ATOM 773 CA ASP A 48 3.204 7.776 19.414 1.00 0.00 C ATOM 774 C ASP A 48 2.249 8.932 19.067 1.00 0.00 C ATOM 775 O ASP A 48 1.232 9.112 19.708 1.00 0.00 O ATOM 776 CB ASP A 48 3.745 7.105 18.136 1.00 0.00 C ATOM 777 CG ASP A 48 5.120 6.487 18.408 1.00 0.00 C ATOM 778 OD1 ASP A 48 6.104 7.201 18.290 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.166 5.311 18.729 1.00 0.00 O ATOM 0 H ASP A 48 2.320 5.865 19.737 1.00 0.00 H new ATOM 0 HA ASP A 48 4.042 8.178 19.983 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.052 6.335 17.799 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.820 7.839 17.334 1.00 0.00 H new ATOM 784 N ARG A 49 2.567 9.721 18.067 1.00 0.00 N ATOM 785 CA ARG A 49 1.680 10.871 17.692 1.00 0.00 C ATOM 786 C ARG A 49 1.613 11.005 16.167 1.00 0.00 C ATOM 787 O ARG A 49 1.875 10.068 15.442 1.00 0.00 O ATOM 788 CB ARG A 49 2.257 12.163 18.282 1.00 0.00 C ATOM 789 CG ARG A 49 2.253 12.095 19.826 1.00 0.00 C ATOM 790 CD ARG A 49 1.940 13.476 20.402 1.00 0.00 C ATOM 791 NE ARG A 49 2.132 13.457 21.880 1.00 0.00 N ATOM 792 CZ ARG A 49 2.224 14.578 22.542 1.00 0.00 C ATOM 793 NH1 ARG A 49 2.151 15.718 21.911 1.00 0.00 N ATOM 794 NH2 ARG A 49 2.391 14.559 23.836 1.00 0.00 N ATOM 0 H ARG A 49 3.404 9.618 17.493 1.00 0.00 H new ATOM 0 HA ARG A 49 0.678 10.694 18.083 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.274 12.314 17.920 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.670 13.018 17.947 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.511 11.372 20.166 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.222 11.751 20.187 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.590 14.225 19.950 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.915 13.757 20.162 1.00 0.00 H new ATOM 0 HE ARG A 49 2.192 12.567 22.375 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.022 15.734 20.899 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.223 16.593 22.430 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.450 13.668 24.330 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.463 15.435 24.354 1.00 0.00 H new ATOM 808 N VAL A 50 1.273 12.176 15.679 1.00 0.00 N ATOM 809 CA VAL A 50 1.190 12.397 14.200 1.00 0.00 C ATOM 810 C VAL A 50 1.425 13.896 13.921 1.00 0.00 C ATOM 811 O VAL A 50 0.725 14.733 14.457 1.00 0.00 O ATOM 812 CB VAL A 50 -0.214 12.019 13.684 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.523 10.562 14.035 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.272 12.936 14.323 1.00 0.00 C ATOM 0 H VAL A 50 1.048 12.993 16.247 1.00 0.00 H new ATOM 0 HA VAL A 50 1.936 11.781 13.698 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.237 12.142 12.601 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.516 10.302 13.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.218 9.911 13.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.491 10.434 15.117 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.261 12.663 13.954 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.245 12.822 15.407 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.061 13.973 14.062 1.00 0.00 H new ATOM 824 N PRO A 51 2.391 14.256 13.100 1.00 0.00 N ATOM 825 CA PRO A 51 2.666 15.687 12.790 1.00 0.00 C ATOM 826 C PRO A 51 1.383 16.503 12.629 1.00 0.00 C ATOM 827 O PRO A 51 0.484 16.139 11.896 1.00 0.00 O ATOM 828 CB PRO A 51 3.447 15.615 11.478 1.00 0.00 C ATOM 829 CG PRO A 51 4.208 14.330 11.568 1.00 0.00 C ATOM 830 CD PRO A 51 3.327 13.365 12.378 1.00 0.00 C ATOM 0 HA PRO A 51 3.209 16.189 13.590 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.779 15.622 10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.118 16.467 11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.414 13.929 10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.171 14.481 12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.795 12.669 11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.921 12.766 13.068 1.00 0.00 H new ATOM 838 N ALA A 52 1.300 17.602 13.317 1.00 0.00 N ATOM 839 CA ALA A 52 0.089 18.457 13.228 1.00 0.00 C ATOM 840 C ALA A 52 -0.277 18.687 11.761 1.00 0.00 C ATOM 841 O ALA A 52 0.577 18.754 10.899 1.00 0.00 O ATOM 842 CB ALA A 52 0.385 19.793 13.903 1.00 0.00 C ATOM 0 H ALA A 52 2.026 17.948 13.944 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.749 17.967 13.725 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.496 20.433 13.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.643 19.623 14.948 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.220 20.279 13.398 1.00 0.00 H new ATOM 848 N GLY A 53 -1.547 18.807 11.469 1.00 0.00 N ATOM 849 CA GLY A 53 -1.985 19.033 10.057 1.00 0.00 C ATOM 850 C GLY A 53 -2.398 17.699 9.431 1.00 0.00 C ATOM 851 O GLY A 53 -3.123 17.659 8.456 1.00 0.00 O ATOM 0 H GLY A 53 -2.304 18.758 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.820 19.733 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.176 19.482 9.481 1.00 0.00 H new ATOM 855 N LYS A 54 -1.937 16.605 9.977 1.00 0.00 N ATOM 856 CA LYS A 54 -2.295 15.275 9.412 1.00 0.00 C ATOM 857 C LYS A 54 -3.612 14.789 10.024 1.00 0.00 C ATOM 858 O LYS A 54 -4.093 15.330 10.999 1.00 0.00 O ATOM 859 CB LYS A 54 -1.161 14.290 9.729 1.00 0.00 C ATOM 860 CG LYS A 54 0.051 14.623 8.847 1.00 0.00 C ATOM 861 CD LYS A 54 1.043 13.461 8.857 1.00 0.00 C ATOM 862 CE LYS A 54 2.299 13.846 8.054 1.00 0.00 C ATOM 863 NZ LYS A 54 1.950 14.836 6.993 1.00 0.00 N ATOM 0 H LYS A 54 -1.326 16.577 10.793 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.426 15.347 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.889 14.355 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.489 13.267 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.276 14.823 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.537 15.529 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.317 13.212 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.582 12.572 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.051 14.267 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.737 12.956 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.767 14.973 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.143 14.483 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.697 15.743 7.434 1.00 0.00 H new ATOM 877 N ARG A 55 -4.205 13.780 9.444 1.00 0.00 N ATOM 878 CA ARG A 55 -5.501 13.267 9.971 1.00 0.00 C ATOM 879 C ARG A 55 -5.242 12.390 11.198 1.00 0.00 C ATOM 880 O ARG A 55 -4.228 11.727 11.297 1.00 0.00 O ATOM 881 CB ARG A 55 -6.189 12.438 8.879 1.00 0.00 C ATOM 882 CG ARG A 55 -7.657 12.115 9.271 1.00 0.00 C ATOM 883 CD ARG A 55 -8.563 12.232 8.039 1.00 0.00 C ATOM 884 NE ARG A 55 -8.137 11.238 7.013 1.00 0.00 N ATOM 885 CZ ARG A 55 -8.926 10.950 6.013 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.087 11.537 5.909 1.00 0.00 N ATOM 887 NH2 ARG A 55 -8.553 10.078 5.117 1.00 0.00 N ATOM 0 H ARG A 55 -3.846 13.288 8.626 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.141 14.101 10.257 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.172 12.985 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.638 11.511 8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.719 11.109 9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.995 12.801 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.602 12.058 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.509 13.240 7.629 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.228 10.782 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.378 12.220 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.704 11.313 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.645 9.621 5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.170 9.853 4.336 1.00 0.00 H new ATOM 901 N ASP A 56 -6.147 12.389 12.138 1.00 0.00 N ATOM 902 CA ASP A 56 -5.953 11.563 13.365 1.00 0.00 C ATOM 903 C ASP A 56 -6.407 10.127 13.100 1.00 0.00 C ATOM 904 O ASP A 56 -7.163 9.859 12.189 1.00 0.00 O ATOM 905 CB ASP A 56 -6.776 12.153 14.512 1.00 0.00 C ATOM 906 CG ASP A 56 -6.576 13.669 14.556 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.867 14.315 13.563 1.00 0.00 O ATOM 908 OD2 ASP A 56 -6.134 14.159 15.582 1.00 0.00 O ATOM 0 H ASP A 56 -7.014 12.925 12.110 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.897 11.563 13.634 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.832 11.919 14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.471 11.708 15.459 1.00 0.00 H new ATOM 913 N ALA A 57 -5.944 9.203 13.895 1.00 0.00 N ATOM 914 CA ALA A 57 -6.337 7.781 13.703 1.00 0.00 C ATOM 915 C ALA A 57 -5.744 6.946 14.836 1.00 0.00 C ATOM 916 O ALA A 57 -4.814 7.358 15.502 1.00 0.00 O ATOM 917 CB ALA A 57 -5.789 7.274 12.362 1.00 0.00 C ATOM 0 H ALA A 57 -5.307 9.374 14.673 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.424 7.696 13.706 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.077 6.232 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.198 7.876 11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.702 7.353 12.360 1.00 0.00 H new ATOM 923 N ILE A 58 -6.249 5.765 15.045 1.00 0.00 N ATOM 924 CA ILE A 58 -5.686 4.905 16.113 1.00 0.00 C ATOM 925 C ILE A 58 -4.322 4.426 15.640 1.00 0.00 C ATOM 926 O ILE A 58 -3.775 4.944 14.686 1.00 0.00 O ATOM 927 CB ILE A 58 -6.598 3.696 16.327 1.00 0.00 C ATOM 928 CG1 ILE A 58 -6.640 2.845 15.044 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.010 4.171 16.663 1.00 0.00 C ATOM 930 CD1 ILE A 58 -7.734 1.765 15.138 1.00 0.00 C ATOM 0 H ILE A 58 -7.026 5.360 14.522 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.603 5.457 17.049 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.209 3.096 17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.829 3.486 14.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.670 2.374 14.883 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.658 3.308 16.815 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.985 4.771 17.573 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.396 4.774 15.841 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.744 1.177 14.220 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.528 1.111 15.986 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.705 2.241 15.275 1.00 0.00 H new ATOM 942 N SER A 59 -3.776 3.432 16.273 1.00 0.00 N ATOM 943 CA SER A 59 -2.455 2.911 15.832 1.00 0.00 C ATOM 944 C SER A 59 -2.686 1.720 14.908 1.00 0.00 C ATOM 945 O SER A 59 -3.572 0.917 15.126 1.00 0.00 O ATOM 946 CB SER A 59 -1.638 2.493 17.054 1.00 0.00 C ATOM 947 OG SER A 59 -0.266 2.720 16.779 1.00 0.00 O ATOM 0 H SER A 59 -4.186 2.956 17.077 1.00 0.00 H new ATOM 0 HA SER A 59 -1.902 3.682 15.295 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.948 3.063 17.930 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.809 1.441 17.282 1.00 0.00 H new ATOM 0 HG SER A 59 -0.094 2.571 15.826 1.00 0.00 H new ATOM 953 N LEU A 60 -1.907 1.606 13.872 1.00 0.00 N ATOM 954 CA LEU A 60 -2.091 0.474 12.925 1.00 0.00 C ATOM 955 C LEU A 60 -2.248 -0.829 13.713 1.00 0.00 C ATOM 956 O LEU A 60 -2.795 -1.800 13.230 1.00 0.00 O ATOM 957 CB LEU A 60 -0.865 0.381 12.013 1.00 0.00 C ATOM 958 CG LEU A 60 -0.962 -0.853 11.108 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.298 -0.848 10.343 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.207 -0.829 10.117 1.00 0.00 C ATOM 0 H LEU A 60 -1.150 2.248 13.639 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.984 0.638 12.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.789 1.281 11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.041 0.327 12.616 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.916 -1.757 11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.355 -1.729 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.124 -0.861 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.362 0.050 9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.151 -1.702 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.154 0.077 9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.149 -0.845 10.665 1.00 0.00 H new ATOM 972 N ARG A 61 -1.776 -0.853 14.927 1.00 0.00 N ATOM 973 CA ARG A 61 -1.903 -2.089 15.745 1.00 0.00 C ATOM 974 C ARG A 61 -3.364 -2.258 16.164 1.00 0.00 C ATOM 975 O ARG A 61 -3.859 -3.359 16.293 1.00 0.00 O ATOM 976 CB ARG A 61 -1.017 -1.971 16.989 1.00 0.00 C ATOM 977 CG ARG A 61 0.463 -2.161 16.608 1.00 0.00 C ATOM 978 CD ARG A 61 0.835 -3.654 16.597 1.00 0.00 C ATOM 979 NE ARG A 61 2.041 -3.885 15.725 1.00 0.00 N ATOM 980 CZ ARG A 61 2.057 -3.555 14.460 1.00 0.00 C ATOM 981 NH1 ARG A 61 0.969 -3.150 13.866 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.160 -3.677 13.772 1.00 0.00 N ATOM 0 H ARG A 61 -1.309 -0.072 15.387 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.586 -2.955 15.163 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.158 -0.995 17.454 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.310 -2.720 17.725 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.649 -1.728 15.625 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.097 -1.628 17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.042 -3.992 17.612 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.006 -4.243 16.230 1.00 0.00 H new ATOM 0 HE ARG A 61 2.872 -4.312 16.134 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.095 -3.088 14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.992 -2.895 12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.005 -4.029 14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.176 -3.421 12.785 1.00 0.00 H new ATOM 996 N GLU A 62 -4.065 -1.172 16.364 1.00 0.00 N ATOM 997 CA GLU A 62 -5.496 -1.280 16.756 1.00 0.00 C ATOM 998 C GLU A 62 -6.314 -1.661 15.521 1.00 0.00 C ATOM 999 O GLU A 62 -7.223 -2.462 15.591 1.00 0.00 O ATOM 1000 CB GLU A 62 -5.980 0.057 17.321 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.232 0.361 18.620 1.00 0.00 C ATOM 1002 CD GLU A 62 -5.931 1.504 19.360 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.028 1.858 18.963 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -5.356 2.004 20.313 1.00 0.00 O ATOM 0 H GLU A 62 -3.708 -0.221 16.273 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.617 -2.044 17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.811 0.853 16.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.053 0.018 17.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.201 -0.528 19.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.199 0.633 18.402 1.00 0.00 H new ATOM 1011 N LYS A 63 -5.979 -1.113 14.379 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.725 -1.475 13.141 1.00 0.00 C ATOM 1013 C LYS A 63 -6.492 -2.955 12.865 1.00 0.00 C ATOM 1014 O LYS A 63 -7.404 -3.696 12.557 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.210 -0.650 11.956 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.620 0.814 12.129 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.449 1.564 10.801 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.441 3.077 11.055 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.870 3.790 9.818 1.00 0.00 N ATOM 0 H LYS A 63 -5.227 -0.436 14.254 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.787 -1.271 13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.125 -0.728 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.615 -1.043 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.657 0.874 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.011 1.282 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.519 1.262 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.259 1.305 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.111 3.322 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.443 3.402 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.865 4.816 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.214 3.565 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.830 3.487 9.558 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.270 -3.393 12.990 1.00 0.00 N ATOM 1034 CA ILE A 64 -4.966 -4.827 12.753 1.00 0.00 C ATOM 1035 C ILE A 64 -5.821 -5.669 13.709 1.00 0.00 C ATOM 1036 O ILE A 64 -6.378 -6.683 13.338 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.466 -5.075 13.012 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.661 -4.578 11.801 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.193 -6.573 13.231 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.163 -4.658 12.100 1.00 0.00 C ATOM 0 H ILE A 64 -4.469 -2.816 13.247 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.194 -5.104 11.724 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.167 -4.535 13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.898 -5.181 10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.939 -3.551 11.566 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.129 -6.726 13.412 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.762 -6.924 14.092 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.494 -7.131 12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.600 -4.304 11.236 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.931 -4.036 12.964 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.889 -5.691 12.313 1.00 0.00 H new ATOM 1052 N ALA A 65 -5.917 -5.248 14.941 1.00 0.00 N ATOM 1053 CA ALA A 65 -6.723 -6.009 15.940 1.00 0.00 C ATOM 1054 C ALA A 65 -8.156 -6.190 15.437 1.00 0.00 C ATOM 1055 O ALA A 65 -8.815 -7.159 15.758 1.00 0.00 O ATOM 1056 CB ALA A 65 -6.748 -5.239 17.262 1.00 0.00 C ATOM 0 H ALA A 65 -5.469 -4.405 15.301 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.270 -6.990 16.087 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.336 -5.792 17.994 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.730 -5.117 17.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.196 -4.258 17.103 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.650 -5.268 14.656 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.045 -5.403 14.147 1.00 0.00 C ATOM 1064 C GLU A 66 -10.087 -6.515 13.102 1.00 0.00 C ATOM 1065 O GLU A 66 -11.054 -7.241 12.986 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.488 -4.086 13.506 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.568 -2.998 14.578 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.071 -1.698 13.949 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -11.978 -1.768 13.135 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -10.542 -0.654 14.291 1.00 0.00 O ATOM 0 H GLU A 66 -8.152 -4.432 14.350 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.715 -5.644 14.972 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.784 -3.793 12.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.459 -4.211 13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.238 -3.310 15.379 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.587 -2.842 15.026 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.038 -6.652 12.345 1.00 0.00 N ATOM 1078 CA LEU A 67 -8.997 -7.716 11.307 1.00 0.00 C ATOM 1079 C LEU A 67 -8.941 -9.080 11.993 1.00 0.00 C ATOM 1080 O LEU A 67 -9.514 -10.046 11.531 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.755 -7.521 10.431 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.581 -6.032 10.111 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.380 -5.847 9.185 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -8.844 -5.508 9.420 1.00 0.00 C ATOM 0 H LEU A 67 -8.202 -6.070 12.401 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.888 -7.662 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.871 -7.898 10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.855 -8.093 9.508 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.416 -5.478 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.256 -4.788 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.481 -6.220 9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.545 -6.400 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.721 -4.449 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.009 -6.061 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.701 -5.640 10.080 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.255 -9.163 13.102 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.161 -10.458 13.832 1.00 0.00 C ATOM 1098 C GLN A 68 -9.414 -10.645 14.692 1.00 0.00 C ATOM 1099 O GLN A 68 -9.815 -11.751 14.991 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.919 -10.445 14.730 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.666 -10.649 13.877 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.429 -10.661 14.778 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.460 -10.026 15.918 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -3.422 -11.253 14.441 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.755 -8.386 13.534 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.084 -11.278 13.118 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.856 -9.498 15.266 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.992 -11.232 15.480 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.737 -11.587 13.327 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.583 -9.852 13.138 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.396 -11.750 13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.603 -11.253 15.049 1.00 0.00 H new