USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 180:sc= 0.282 USER MOD Set 1.2: A 28 THR OG1 : rot 81:sc= 0.31 USER MOD Single : A 8 MET CE :methyl 147:sc= -0.549 (180deg=-2.09!) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0989) USER MOD Single : A 18 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.25) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 91:sc= -0.179 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.3!) USER MOD Single : A 44 THR OG1 : rot -30:sc= 0.142 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.011 (180deg=-0.0819) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-1) USER MOD Single : A 63 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-3.5!) USER MOD Single : A 65 ASN : amide:sc= -0.652 X(o=-0.65,f=-1) USER MOD Single : A 69 SER OG : rot -80:sc= -3.94! USER MOD Single : A 71 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.949 K(o=-0.95,f=-3.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.263 10.670 -3.638 1.00 0.00 N ATOM 60 CA GLY A 7 4.816 10.761 -3.563 1.00 0.00 C ATOM 61 C GLY A 7 4.328 11.099 -2.168 1.00 0.00 C ATOM 62 O GLY A 7 4.969 11.864 -1.448 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.466 11.521 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.379 9.814 -3.878 1.00 0.00 H new ATOM 66 N MET A 8 3.189 10.530 -1.787 1.00 0.00 N ATOM 67 CA MET A 8 2.616 10.777 -0.469 1.00 0.00 C ATOM 68 C MET A 8 2.947 9.638 0.490 1.00 0.00 C ATOM 69 O MET A 8 3.488 8.611 0.083 1.00 0.00 O ATOM 70 CB MET A 8 1.099 10.947 -0.573 1.00 0.00 C ATOM 71 CG MET A 8 0.678 12.234 -1.263 1.00 0.00 C ATOM 72 SD MET A 8 -0.997 12.740 -0.827 1.00 0.00 S ATOM 73 CE MET A 8 -0.887 12.773 0.960 1.00 0.00 C ATOM 0 H MET A 8 2.645 9.895 -2.372 1.00 0.00 H new ATOM 0 HA MET A 8 3.052 11.696 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.683 10.099 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.669 10.924 0.429 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.374 13.029 -0.997 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.744 12.101 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.533 13.560 1.350 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.204 11.811 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.143 12.969 1.258 1.00 0.00 H new ATOM 83 N GLU A 9 2.619 9.829 1.764 1.00 0.00 N ATOM 84 CA GLU A 9 2.883 8.817 2.780 1.00 0.00 C ATOM 85 C GLU A 9 1.587 8.153 3.237 1.00 0.00 C ATOM 86 O GLU A 9 0.536 8.792 3.296 1.00 0.00 O ATOM 87 CB GLU A 9 3.599 9.441 3.979 1.00 0.00 C ATOM 88 CG GLU A 9 5.033 9.851 3.687 1.00 0.00 C ATOM 89 CD GLU A 9 5.635 10.697 4.792 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.756 10.192 5.927 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.986 11.864 4.520 1.00 0.00 O ATOM 0 H GLU A 9 2.170 10.674 2.117 1.00 0.00 H new ATOM 0 HA GLU A 9 3.525 8.055 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.040 10.316 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.595 8.729 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.641 8.957 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.064 10.408 2.750 1.00 0.00 H new ATOM 98 N LEU A 10 1.670 6.866 3.557 1.00 0.00 N ATOM 99 CA LEU A 10 0.505 6.114 4.008 1.00 0.00 C ATOM 100 C LEU A 10 0.765 5.468 5.366 1.00 0.00 C ATOM 101 O LEU A 10 1.906 5.160 5.710 1.00 0.00 O ATOM 102 CB LEU A 10 0.138 5.040 2.982 1.00 0.00 C ATOM 103 CG LEU A 10 -1.260 4.434 3.116 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.323 5.461 2.763 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.393 3.201 2.233 1.00 0.00 C ATOM 0 H LEU A 10 2.532 6.322 3.512 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.328 6.810 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.231 5.471 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.869 4.235 3.051 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.406 4.132 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.311 5.012 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.242 6.315 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.180 5.795 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.394 2.783 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.226 3.479 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.655 2.457 2.533 1.00 0.00 H new ATOM 117 N LYS A 11 -0.301 5.264 6.132 1.00 0.00 N ATOM 118 CA LYS A 11 -0.190 4.651 7.451 1.00 0.00 C ATOM 119 C LYS A 11 -0.952 3.331 7.503 1.00 0.00 C ATOM 120 O LYS A 11 -2.180 3.314 7.585 1.00 0.00 O ATOM 121 CB LYS A 11 -0.722 5.603 8.524 1.00 0.00 C ATOM 122 CG LYS A 11 0.140 6.837 8.725 1.00 0.00 C ATOM 123 CD LYS A 11 1.269 6.575 9.708 1.00 0.00 C ATOM 124 CE LYS A 11 1.913 7.871 10.175 1.00 0.00 C ATOM 125 NZ LYS A 11 3.005 7.625 11.157 1.00 0.00 N ATOM 0 H LYS A 11 -1.252 5.514 5.862 1.00 0.00 H new ATOM 0 HA LYS A 11 0.864 4.449 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.731 5.915 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.798 5.065 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.556 7.151 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.478 7.658 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.884 6.028 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.022 5.942 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.312 8.409 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.155 8.511 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.257 8.518 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.684 6.938 11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.838 7.247 10.662 1.00 0.00 H new ATOM 139 N VAL A 12 -0.215 2.225 7.458 1.00 0.00 N ATOM 140 CA VAL A 12 -0.821 0.900 7.503 1.00 0.00 C ATOM 141 C VAL A 12 -0.039 -0.031 8.422 1.00 0.00 C ATOM 142 O VAL A 12 1.189 -0.095 8.359 1.00 0.00 O ATOM 143 CB VAL A 12 -0.900 0.271 6.099 1.00 0.00 C ATOM 144 CG1 VAL A 12 0.363 0.572 5.307 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.130 -1.229 6.201 1.00 0.00 C ATOM 0 H VAL A 12 0.803 2.221 7.390 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.831 1.027 7.893 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.745 0.711 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.289 0.120 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.480 1.651 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.227 0.161 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.183 -1.658 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.306 -1.687 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.065 -1.419 6.727 1.00 0.00 H new ATOM 155 N TRP A 13 -0.758 -0.751 9.276 1.00 0.00 N ATOM 156 CA TRP A 13 -0.130 -1.680 10.209 1.00 0.00 C ATOM 157 C TRP A 13 0.125 -3.029 9.545 1.00 0.00 C ATOM 158 O TRP A 13 -0.801 -3.813 9.335 1.00 0.00 O ATOM 159 CB TRP A 13 -1.011 -1.865 11.446 1.00 0.00 C ATOM 160 CG TRP A 13 -1.046 -0.659 12.335 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.834 0.447 12.185 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.259 -0.436 13.510 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.584 1.343 13.196 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.622 0.824 14.022 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.716 -1.180 14.180 1.00 0.00 C ATOM 166 CZ2 TRP A 13 -0.042 1.355 15.172 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.291 -0.652 15.320 1.00 0.00 C ATOM 168 CH2 TRP A 13 0.910 0.605 15.807 1.00 0.00 C ATOM 0 H TRP A 13 -1.775 -0.710 9.342 1.00 0.00 H new ATOM 0 HA TRP A 13 0.828 -1.259 10.513 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.026 -2.103 11.128 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.648 -2.719 12.018 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.548 0.595 11.389 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.040 2.248 13.313 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.015 -2.151 13.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.333 2.324 15.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.047 -1.218 15.844 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.377 0.990 16.702 1.00 0.00 H new ATOM 179 N VAL A 14 1.385 -3.294 9.217 1.00 0.00 N ATOM 180 CA VAL A 14 1.762 -4.549 8.578 1.00 0.00 C ATOM 181 C VAL A 14 2.419 -5.497 9.575 1.00 0.00 C ATOM 182 O VAL A 14 3.493 -5.211 10.105 1.00 0.00 O ATOM 183 CB VAL A 14 2.724 -4.313 7.400 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.106 -5.633 6.748 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.100 -3.368 6.384 1.00 0.00 C ATOM 0 H VAL A 14 2.163 -2.656 9.383 1.00 0.00 H new ATOM 0 HA VAL A 14 0.844 -5.001 8.202 1.00 0.00 H new ATOM 0 HB VAL A 14 3.633 -3.849 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.786 -5.445 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.597 -6.273 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.209 -6.129 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.794 -3.212 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.175 -3.802 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.884 -2.412 6.861 1.00 0.00 H new ATOM 195 N ASP A 15 1.768 -6.628 9.825 1.00 0.00 N ATOM 196 CA ASP A 15 2.290 -7.620 10.757 1.00 0.00 C ATOM 197 C ASP A 15 2.476 -7.017 12.146 1.00 0.00 C ATOM 198 O ASP A 15 3.436 -7.332 12.848 1.00 0.00 O ATOM 199 CB ASP A 15 3.620 -8.179 10.249 1.00 0.00 C ATOM 200 CG ASP A 15 3.433 -9.219 9.162 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.185 -10.395 9.502 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.534 -8.857 7.971 1.00 0.00 O ATOM 0 H ASP A 15 0.878 -6.880 9.395 1.00 0.00 H new ATOM 0 HA ASP A 15 1.566 -8.432 10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.231 -7.362 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.166 -8.622 11.082 1.00 0.00 H new ATOM 207 N GLY A 16 1.549 -6.147 12.537 1.00 0.00 N ATOM 208 CA GLY A 16 1.629 -5.512 13.839 1.00 0.00 C ATOM 209 C GLY A 16 2.749 -4.494 13.920 1.00 0.00 C ATOM 210 O GLY A 16 3.147 -4.083 15.010 1.00 0.00 O ATOM 0 H GLY A 16 0.744 -5.871 11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.681 -5.022 14.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.779 -6.275 14.603 1.00 0.00 H new ATOM 214 N VAL A 17 3.261 -4.086 12.763 1.00 0.00 N ATOM 215 CA VAL A 17 4.343 -3.110 12.707 1.00 0.00 C ATOM 216 C VAL A 17 4.008 -1.974 11.747 1.00 0.00 C ATOM 217 O VAL A 17 3.647 -2.209 10.594 1.00 0.00 O ATOM 218 CB VAL A 17 5.667 -3.764 12.270 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.729 -2.705 12.020 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.136 -4.765 13.315 1.00 0.00 C ATOM 0 H VAL A 17 2.944 -4.416 11.852 1.00 0.00 H new ATOM 0 HA VAL A 17 4.460 -2.709 13.714 1.00 0.00 H new ATOM 0 HB VAL A 17 5.497 -4.300 11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.657 -3.186 11.712 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.392 -2.030 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.900 -2.138 12.935 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.073 -5.218 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.290 -4.254 14.265 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.381 -5.542 13.439 1.00 0.00 H new ATOM 230 N GLN A 18 4.133 -0.742 12.230 1.00 0.00 N ATOM 231 CA GLN A 18 3.843 0.431 11.414 1.00 0.00 C ATOM 232 C GLN A 18 4.786 0.507 10.217 1.00 0.00 C ATOM 233 O GLN A 18 6.006 0.443 10.370 1.00 0.00 O ATOM 234 CB GLN A 18 3.962 1.704 12.253 1.00 0.00 C ATOM 235 CG GLN A 18 3.709 2.979 11.464 1.00 0.00 C ATOM 236 CD GLN A 18 2.233 3.267 11.277 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.646 4.061 12.013 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.624 2.621 10.290 1.00 0.00 N ATOM 0 H GLN A 18 4.433 -0.530 13.182 1.00 0.00 H new ATOM 0 HA GLN A 18 2.821 0.342 11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.254 1.652 13.080 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.959 1.749 12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.177 3.819 11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.186 2.898 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.150 1.972 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.630 2.774 10.117 1.00 0.00 H new ATOM 247 N ARG A 19 4.212 0.645 9.026 1.00 0.00 N ATOM 248 CA ARG A 19 5.001 0.728 7.803 1.00 0.00 C ATOM 249 C ARG A 19 4.480 1.838 6.895 1.00 0.00 C ATOM 250 O ARG A 19 3.319 1.824 6.485 1.00 0.00 O ATOM 251 CB ARG A 19 4.973 -0.609 7.061 1.00 0.00 C ATOM 252 CG ARG A 19 6.092 -1.555 7.466 1.00 0.00 C ATOM 253 CD ARG A 19 7.329 -1.356 6.605 1.00 0.00 C ATOM 254 NE ARG A 19 8.114 -0.201 7.033 1.00 0.00 N ATOM 255 CZ ARG A 19 9.209 0.216 6.407 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.645 -0.423 5.330 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.869 1.276 6.857 1.00 0.00 N ATOM 0 H ARG A 19 3.204 0.702 8.882 1.00 0.00 H new ATOM 0 HA ARG A 19 6.030 0.961 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.014 -1.095 7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.038 -0.421 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.346 -1.392 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.748 -2.586 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.949 -2.252 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.030 -1.226 5.565 1.00 0.00 H new ATOM 0 HE ARG A 19 7.805 0.313 7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.139 -1.237 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.486 -0.101 4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.536 1.771 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.710 1.595 6.376 1.00 0.00 H new ATOM 271 N ILE A 20 5.345 2.797 6.585 1.00 0.00 N ATOM 272 CA ILE A 20 4.972 3.913 5.725 1.00 0.00 C ATOM 273 C ILE A 20 5.346 3.637 4.272 1.00 0.00 C ATOM 274 O ILE A 20 6.510 3.389 3.956 1.00 0.00 O ATOM 275 CB ILE A 20 5.646 5.222 6.177 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.563 5.365 7.698 1.00 0.00 C ATOM 277 CG2 ILE A 20 4.999 6.416 5.490 1.00 0.00 C ATOM 278 CD1 ILE A 20 4.149 5.516 8.213 1.00 0.00 C ATOM 0 H ILE A 20 6.309 2.824 6.917 1.00 0.00 H new ATOM 0 HA ILE A 20 3.891 4.024 5.804 1.00 0.00 H new ATOM 0 HB ILE A 20 6.697 5.190 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.019 4.491 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.148 6.232 8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.486 7.334 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.106 6.316 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.941 6.454 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.166 5.612 9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.696 6.406 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.565 4.638 7.936 1.00 0.00 H new ATOM 290 N VAL A 21 4.351 3.683 3.392 1.00 0.00 N ATOM 291 CA VAL A 21 4.576 3.441 1.972 1.00 0.00 C ATOM 292 C VAL A 21 4.903 4.737 1.238 1.00 0.00 C ATOM 293 O VAL A 21 4.252 5.761 1.446 1.00 0.00 O ATOM 294 CB VAL A 21 3.346 2.788 1.313 1.00 0.00 C ATOM 295 CG1 VAL A 21 3.583 2.584 -0.176 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.015 1.468 1.994 1.00 0.00 C ATOM 0 H VAL A 21 3.382 3.886 3.637 1.00 0.00 H new ATOM 0 HA VAL A 21 5.424 2.761 1.897 1.00 0.00 H new ATOM 0 HB VAL A 21 2.493 3.457 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.704 2.122 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.768 3.548 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.447 1.936 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.144 1.020 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.865 0.791 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.799 1.646 3.047 1.00 0.00 H new ATOM 306 N CYS A 22 5.915 4.684 0.379 1.00 0.00 N ATOM 307 CA CYS A 22 6.330 5.855 -0.386 1.00 0.00 C ATOM 308 C CYS A 22 5.963 5.700 -1.858 1.00 0.00 C ATOM 309 O CYS A 22 5.633 4.606 -2.315 1.00 0.00 O ATOM 310 CB CYS A 22 7.837 6.075 -0.244 1.00 0.00 C ATOM 311 SG CYS A 22 8.847 4.794 -1.024 1.00 0.00 S ATOM 0 H CYS A 22 6.463 3.844 0.195 1.00 0.00 H new ATOM 0 HA CYS A 22 5.805 6.723 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.095 7.041 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.088 6.125 0.816 1.00 0.00 H new ATOM 0 HG CYS A 22 10.106 5.069 -0.852 1.00 0.00 H new ATOM 317 N GLY A 23 6.022 6.804 -2.597 1.00 0.00 N ATOM 318 CA GLY A 23 5.692 6.769 -4.010 1.00 0.00 C ATOM 319 C GLY A 23 4.228 6.463 -4.255 1.00 0.00 C ATOM 320 O GLY A 23 3.882 5.785 -5.223 1.00 0.00 O ATOM 0 H GLY A 23 6.292 7.721 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.940 7.729 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.305 6.016 -4.505 1.00 0.00 H new ATOM 324 N VAL A 24 3.364 6.961 -3.376 1.00 0.00 N ATOM 325 CA VAL A 24 1.929 6.736 -3.501 1.00 0.00 C ATOM 326 C VAL A 24 1.230 7.960 -4.082 1.00 0.00 C ATOM 327 O VAL A 24 1.230 9.034 -3.480 1.00 0.00 O ATOM 328 CB VAL A 24 1.294 6.393 -2.141 1.00 0.00 C ATOM 329 CG1 VAL A 24 -0.176 6.040 -2.312 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.050 5.255 -1.472 1.00 0.00 C ATOM 0 H VAL A 24 3.633 7.523 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 24 1.799 5.891 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 24 1.360 7.270 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.608 5.800 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.706 6.888 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.269 5.178 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.588 5.026 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.018 4.372 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.087 5.551 -1.314 1.00 0.00 H new ATOM 340 N THR A 25 0.633 7.791 -5.258 1.00 0.00 N ATOM 341 CA THR A 25 -0.070 8.882 -5.922 1.00 0.00 C ATOM 342 C THR A 25 -1.556 8.573 -6.063 1.00 0.00 C ATOM 343 O THR A 25 -1.963 7.412 -6.029 1.00 0.00 O ATOM 344 CB THR A 25 0.519 9.163 -7.317 1.00 0.00 C ATOM 345 OG1 THR A 25 0.674 7.937 -8.040 1.00 0.00 O ATOM 346 CG2 THR A 25 1.864 9.865 -7.205 1.00 0.00 C ATOM 0 H THR A 25 0.622 6.909 -5.770 1.00 0.00 H new ATOM 0 HA THR A 25 0.057 9.766 -5.297 1.00 0.00 H new ATOM 0 HB THR A 25 -0.170 9.815 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.047 8.125 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.260 10.053 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.738 10.812 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.559 9.234 -6.652 1.00 0.00 H new ATOM 354 N GLU A 26 -2.361 9.619 -6.223 1.00 0.00 N ATOM 355 CA GLU A 26 -3.803 9.457 -6.369 1.00 0.00 C ATOM 356 C GLU A 26 -4.127 8.359 -7.378 1.00 0.00 C ATOM 357 O GLU A 26 -4.917 7.457 -7.098 1.00 0.00 O ATOM 358 CB GLU A 26 -4.444 10.775 -6.809 1.00 0.00 C ATOM 359 CG GLU A 26 -3.944 11.983 -6.035 1.00 0.00 C ATOM 360 CD GLU A 26 -2.727 12.622 -6.675 1.00 0.00 C ATOM 361 OE1 GLU A 26 -2.593 12.532 -7.914 1.00 0.00 O ATOM 362 OE2 GLU A 26 -1.909 13.211 -5.939 1.00 0.00 O ATOM 0 H GLU A 26 -2.039 10.586 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.211 9.168 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.249 10.928 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.525 10.701 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.743 12.721 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.698 11.681 -5.017 1.00 0.00 H new ATOM 369 N VAL A 27 -3.512 8.443 -8.553 1.00 0.00 N ATOM 370 CA VAL A 27 -3.735 7.457 -9.605 1.00 0.00 C ATOM 371 C VAL A 27 -3.564 6.039 -9.073 1.00 0.00 C ATOM 372 O VAL A 27 -4.344 5.143 -9.399 1.00 0.00 O ATOM 373 CB VAL A 27 -2.770 7.670 -10.787 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.990 6.608 -11.853 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.941 9.065 -11.368 1.00 0.00 C ATOM 0 H VAL A 27 -2.856 9.183 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.759 7.591 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.747 7.577 -10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.300 6.774 -12.680 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.813 5.621 -11.425 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.015 6.666 -12.219 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.252 9.199 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.965 9.190 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.729 9.808 -10.599 1.00 0.00 H new ATOM 385 N THR A 28 -2.538 5.840 -8.251 1.00 0.00 N ATOM 386 CA THR A 28 -2.264 4.530 -7.674 1.00 0.00 C ATOM 387 C THR A 28 -3.456 4.023 -6.871 1.00 0.00 C ATOM 388 O THR A 28 -3.885 4.658 -5.907 1.00 0.00 O ATOM 389 CB THR A 28 -1.023 4.567 -6.762 1.00 0.00 C ATOM 390 OG1 THR A 28 0.123 4.986 -7.510 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.763 3.199 -6.148 1.00 0.00 C ATOM 0 H THR A 28 -1.883 6.570 -7.970 1.00 0.00 H new ATOM 0 HA THR A 28 -2.075 3.851 -8.506 1.00 0.00 H new ATOM 0 HB THR A 28 -1.211 5.279 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.122 5.963 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.118 3.249 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.626 2.896 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.594 2.470 -6.941 1.00 0.00 H new ATOM 399 N THR A 29 -3.989 2.873 -7.273 1.00 0.00 N ATOM 400 CA THR A 29 -5.132 2.280 -6.592 1.00 0.00 C ATOM 401 C THR A 29 -4.698 1.540 -5.332 1.00 0.00 C ATOM 402 O THR A 29 -3.505 1.412 -5.056 1.00 0.00 O ATOM 403 CB THR A 29 -5.891 1.304 -7.511 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.986 0.332 -8.046 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.572 2.051 -8.648 1.00 0.00 C ATOM 0 H THR A 29 -3.646 2.334 -8.068 1.00 0.00 H new ATOM 0 HA THR A 29 -5.796 3.100 -6.319 1.00 0.00 H new ATOM 0 HB THR A 29 -6.655 0.801 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.476 -0.286 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.102 1.341 -9.284 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.281 2.770 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.822 2.577 -9.238 1.00 0.00 H new ATOM 413 N CYS A 30 -5.673 1.053 -4.572 1.00 0.00 N ATOM 414 CA CYS A 30 -5.391 0.324 -3.340 1.00 0.00 C ATOM 415 C CYS A 30 -4.712 -1.008 -3.640 1.00 0.00 C ATOM 416 O CYS A 30 -3.812 -1.433 -2.916 1.00 0.00 O ATOM 417 CB CYS A 30 -6.682 0.088 -2.556 1.00 0.00 C ATOM 418 SG CYS A 30 -7.094 1.412 -1.396 1.00 0.00 S ATOM 0 H CYS A 30 -6.665 1.150 -4.787 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.714 0.928 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.505 -0.033 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.594 -0.849 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.844 2.292 -1.991 1.00 0.00 H new ATOM 424 N GLN A 31 -5.151 -1.662 -4.711 1.00 0.00 N ATOM 425 CA GLN A 31 -4.586 -2.948 -5.104 1.00 0.00 C ATOM 426 C GLN A 31 -3.104 -2.813 -5.435 1.00 0.00 C ATOM 427 O GLN A 31 -2.326 -3.744 -5.228 1.00 0.00 O ATOM 428 CB GLN A 31 -5.341 -3.512 -6.309 1.00 0.00 C ATOM 429 CG GLN A 31 -4.722 -4.780 -6.875 1.00 0.00 C ATOM 430 CD GLN A 31 -5.036 -4.977 -8.345 1.00 0.00 C ATOM 431 OE1 GLN A 31 -4.134 -5.039 -9.181 1.00 0.00 O ATOM 432 NE2 GLN A 31 -6.320 -5.075 -8.669 1.00 0.00 N ATOM 0 H GLN A 31 -5.895 -1.323 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.690 -3.635 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.371 -3.719 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.377 -2.754 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.641 -4.744 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.085 -5.640 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.035 -5.018 -7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.591 -5.207 -9.643 1.00 0.00 H new ATOM 441 N GLU A 32 -2.720 -1.649 -5.950 1.00 0.00 N ATOM 442 CA GLU A 32 -1.331 -1.395 -6.310 1.00 0.00 C ATOM 443 C GLU A 32 -0.465 -1.239 -5.063 1.00 0.00 C ATOM 444 O GLU A 32 0.700 -1.636 -5.049 1.00 0.00 O ATOM 445 CB GLU A 32 -1.227 -0.137 -7.176 1.00 0.00 C ATOM 446 CG GLU A 32 -1.347 -0.413 -8.666 1.00 0.00 C ATOM 447 CD GLU A 32 -1.157 0.835 -9.507 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.002 1.290 -9.639 1.00 0.00 O ATOM 449 OE2 GLU A 32 -2.163 1.355 -10.033 1.00 0.00 O ATOM 0 H GLU A 32 -3.351 -0.868 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.968 -2.251 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.008 0.563 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.272 0.350 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.605 -1.158 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.327 -0.842 -8.875 1.00 0.00 H new ATOM 456 N VAL A 33 -1.043 -0.658 -4.017 1.00 0.00 N ATOM 457 CA VAL A 33 -0.326 -0.450 -2.765 1.00 0.00 C ATOM 458 C VAL A 33 -0.007 -1.778 -2.087 1.00 0.00 C ATOM 459 O VAL A 33 1.147 -2.204 -2.045 1.00 0.00 O ATOM 460 CB VAL A 33 -1.137 0.429 -1.793 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.418 0.552 -0.459 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.390 1.800 -2.401 1.00 0.00 C ATOM 0 H VAL A 33 -2.006 -0.323 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 33 0.605 0.060 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.101 -0.048 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.005 1.176 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.293 -0.438 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.561 1.006 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.964 2.408 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.437 2.287 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.950 1.689 -3.329 1.00 0.00 H new ATOM 472 N VAL A 34 -1.039 -2.428 -1.557 1.00 0.00 N ATOM 473 CA VAL A 34 -0.869 -3.709 -0.882 1.00 0.00 C ATOM 474 C VAL A 34 0.182 -4.564 -1.581 1.00 0.00 C ATOM 475 O VAL A 34 1.109 -5.068 -0.946 1.00 0.00 O ATOM 476 CB VAL A 34 -2.194 -4.491 -0.822 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.254 -3.691 -0.079 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.667 -4.846 -2.224 1.00 0.00 C ATOM 0 H VAL A 34 -2.001 -2.089 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.538 -3.490 0.133 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.024 -5.418 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.183 -4.260 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.914 -3.493 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.425 -2.746 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.605 -5.398 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.821 -3.932 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.915 -5.462 -2.717 1.00 0.00 H new ATOM 488 N ILE A 35 0.031 -4.723 -2.891 1.00 0.00 N ATOM 489 CA ILE A 35 0.969 -5.515 -3.677 1.00 0.00 C ATOM 490 C ILE A 35 2.411 -5.187 -3.307 1.00 0.00 C ATOM 491 O ILE A 35 3.219 -6.083 -3.063 1.00 0.00 O ATOM 492 CB ILE A 35 0.773 -5.285 -5.187 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.498 -5.986 -5.672 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.986 -5.781 -5.960 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.870 -5.645 -7.098 1.00 0.00 C ATOM 0 H ILE A 35 -0.732 -4.314 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 35 0.767 -6.561 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 35 0.665 -4.215 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.363 -7.064 -5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.325 -5.717 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.832 -5.612 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.873 -5.240 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.122 -6.847 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.780 -6.177 -7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.038 -4.571 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.061 -5.940 -7.766 1.00 0.00 H new ATOM 507 N ALA A 36 2.727 -3.897 -3.266 1.00 0.00 N ATOM 508 CA ALA A 36 4.071 -3.450 -2.922 1.00 0.00 C ATOM 509 C ALA A 36 4.559 -4.116 -1.640 1.00 0.00 C ATOM 510 O ALA A 36 5.540 -4.861 -1.650 1.00 0.00 O ATOM 511 CB ALA A 36 4.102 -1.936 -2.777 1.00 0.00 C ATOM 0 H ALA A 36 2.070 -3.143 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 36 4.742 -3.741 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.112 -1.616 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.803 -1.474 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.413 -1.632 -1.989 1.00 0.00 H new ATOM 517 N LEU A 37 3.871 -3.844 -0.537 1.00 0.00 N ATOM 518 CA LEU A 37 4.235 -4.416 0.754 1.00 0.00 C ATOM 519 C LEU A 37 4.372 -5.933 0.658 1.00 0.00 C ATOM 520 O LEU A 37 5.359 -6.507 1.117 1.00 0.00 O ATOM 521 CB LEU A 37 3.188 -4.053 1.809 1.00 0.00 C ATOM 522 CG LEU A 37 3.063 -2.567 2.146 1.00 0.00 C ATOM 523 CD1 LEU A 37 1.812 -2.311 2.972 1.00 0.00 C ATOM 524 CD2 LEU A 37 4.301 -2.081 2.885 1.00 0.00 C ATOM 0 H LEU A 37 3.057 -3.230 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 37 5.198 -4.000 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.217 -4.410 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.422 -4.595 2.726 1.00 0.00 H new ATOM 0 HG LEU A 37 2.979 -2.009 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.739 -1.248 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.933 -2.621 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.866 -2.881 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.194 -1.021 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.417 -2.645 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.180 -2.228 2.258 1.00 0.00 H new ATOM 536 N ALA A 38 3.376 -6.575 0.056 1.00 0.00 N ATOM 537 CA ALA A 38 3.388 -8.023 -0.104 1.00 0.00 C ATOM 538 C ALA A 38 4.680 -8.492 -0.764 1.00 0.00 C ATOM 539 O ALA A 38 5.266 -9.495 -0.356 1.00 0.00 O ATOM 540 CB ALA A 38 2.184 -8.474 -0.919 1.00 0.00 C ATOM 0 H ALA A 38 2.551 -6.115 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 38 3.332 -8.473 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.206 -9.558 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.268 -8.180 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.215 -8.007 -1.903 1.00 0.00 H new ATOM 546 N GLN A 39 5.117 -7.762 -1.784 1.00 0.00 N ATOM 547 CA GLN A 39 6.340 -8.105 -2.500 1.00 0.00 C ATOM 548 C GLN A 39 7.554 -8.012 -1.581 1.00 0.00 C ATOM 549 O GLN A 39 8.467 -8.833 -1.658 1.00 0.00 O ATOM 550 CB GLN A 39 6.527 -7.182 -3.706 1.00 0.00 C ATOM 551 CG GLN A 39 5.840 -7.683 -4.967 1.00 0.00 C ATOM 552 CD GLN A 39 6.578 -8.839 -5.613 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.770 -9.038 -5.379 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.871 -9.608 -6.432 1.00 0.00 N ATOM 0 H GLN A 39 4.643 -6.929 -2.134 1.00 0.00 H new ATOM 0 HA GLN A 39 6.249 -9.134 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.140 -6.193 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.593 -7.067 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.825 -7.996 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.758 -6.864 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.885 -9.406 -6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.314 -10.401 -6.896 1.00 0.00 H new ATOM 563 N ALA A 40 7.556 -7.005 -0.713 1.00 0.00 N ATOM 564 CA ALA A 40 8.657 -6.806 0.222 1.00 0.00 C ATOM 565 C ALA A 40 8.787 -7.988 1.176 1.00 0.00 C ATOM 566 O ALA A 40 9.876 -8.533 1.359 1.00 0.00 O ATOM 567 CB ALA A 40 8.459 -5.514 1.002 1.00 0.00 C ATOM 0 H ALA A 40 6.808 -6.315 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 40 9.581 -6.733 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.288 -5.378 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.423 -4.673 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.524 -5.565 1.559 1.00 0.00 H new ATOM 573 N ILE A 41 7.672 -8.378 1.784 1.00 0.00 N ATOM 574 CA ILE A 41 7.662 -9.495 2.719 1.00 0.00 C ATOM 575 C ILE A 41 7.849 -10.823 1.992 1.00 0.00 C ATOM 576 O ILE A 41 8.345 -11.792 2.565 1.00 0.00 O ATOM 577 CB ILE A 41 6.351 -9.545 3.525 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.152 -9.672 2.582 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.217 -8.304 4.395 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.822 -9.733 3.300 1.00 0.00 C ATOM 0 H ILE A 41 6.763 -7.936 1.645 1.00 0.00 H new ATOM 0 HA ILE A 41 8.494 -9.338 3.405 1.00 0.00 H new ATOM 0 HB ILE A 41 6.374 -10.420 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.147 -8.824 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.270 -10.570 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.285 -8.354 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.058 -8.252 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.212 -7.416 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.018 -9.823 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.807 -10.597 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.682 -8.823 3.884 1.00 0.00 H new ATOM 592 N GLY A 42 7.450 -10.858 0.724 1.00 0.00 N ATOM 593 CA GLY A 42 7.584 -12.071 -0.062 1.00 0.00 C ATOM 594 C GLY A 42 6.269 -12.515 -0.670 1.00 0.00 C ATOM 595 O GLY A 42 6.081 -12.436 -1.885 1.00 0.00 O ATOM 0 H GLY A 42 7.037 -10.069 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.311 -11.907 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.976 -12.868 0.569 1.00 0.00 H new ATOM 599 N ARG A 43 5.356 -12.984 0.174 1.00 0.00 N ATOM 600 CA ARG A 43 4.053 -13.446 -0.289 1.00 0.00 C ATOM 601 C ARG A 43 3.493 -12.511 -1.357 1.00 0.00 C ATOM 602 O ARG A 43 3.687 -11.296 -1.299 1.00 0.00 O ATOM 603 CB ARG A 43 3.076 -13.540 0.885 1.00 0.00 C ATOM 604 CG ARG A 43 3.372 -14.689 1.834 1.00 0.00 C ATOM 605 CD ARG A 43 2.143 -15.076 2.641 1.00 0.00 C ATOM 606 NE ARG A 43 2.442 -16.106 3.633 1.00 0.00 N ATOM 607 CZ ARG A 43 2.672 -17.378 3.325 1.00 0.00 C ATOM 608 NH1 ARG A 43 2.639 -17.773 2.059 1.00 0.00 N ATOM 609 NH2 ARG A 43 2.937 -18.256 4.283 1.00 0.00 N ATOM 0 H ARG A 43 5.495 -13.054 1.182 1.00 0.00 H new ATOM 0 HA ARG A 43 4.180 -14.436 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.101 -12.604 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.064 -13.653 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.722 -15.551 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.178 -14.405 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.746 -14.194 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.366 -15.436 1.967 1.00 0.00 H new ATOM 0 HE ARG A 43 2.476 -15.834 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.437 -17.100 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.816 -18.750 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.964 -17.955 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.113 -19.232 4.046 1.00 0.00 H new ATOM 623 N THR A 44 2.798 -13.086 -2.334 1.00 0.00 N ATOM 624 CA THR A 44 2.212 -12.306 -3.416 1.00 0.00 C ATOM 625 C THR A 44 0.691 -12.286 -3.319 1.00 0.00 C ATOM 626 O THR A 44 0.026 -11.499 -3.991 1.00 0.00 O ATOM 627 CB THR A 44 2.620 -12.861 -4.794 1.00 0.00 C ATOM 628 OG1 THR A 44 2.212 -11.956 -5.827 1.00 0.00 O ATOM 629 CG2 THR A 44 1.995 -14.227 -5.033 1.00 0.00 C ATOM 0 H THR A 44 2.628 -14.090 -2.397 1.00 0.00 H new ATOM 0 HA THR A 44 2.593 -11.290 -3.314 1.00 0.00 H new ATOM 0 HB THR A 44 3.705 -12.967 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.401 -11.484 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.297 -14.599 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.330 -14.921 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.909 -14.142 -4.997 1.00 0.00 H new ATOM 637 N GLY A 45 0.145 -13.159 -2.477 1.00 0.00 N ATOM 638 CA GLY A 45 -1.295 -13.225 -2.307 1.00 0.00 C ATOM 639 C GLY A 45 -1.904 -11.873 -1.993 1.00 0.00 C ATOM 640 O GLY A 45 -1.700 -11.329 -0.907 1.00 0.00 O ATOM 0 H GLY A 45 0.674 -13.821 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.747 -13.622 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.531 -13.922 -1.503 1.00 0.00 H new ATOM 644 N ARG A 46 -2.653 -11.328 -2.946 1.00 0.00 N ATOM 645 CA ARG A 46 -3.292 -10.029 -2.766 1.00 0.00 C ATOM 646 C ARG A 46 -3.826 -9.878 -1.345 1.00 0.00 C ATOM 647 O ARG A 46 -4.459 -10.787 -0.808 1.00 0.00 O ATOM 648 CB ARG A 46 -4.431 -9.854 -3.772 1.00 0.00 C ATOM 649 CG ARG A 46 -3.980 -9.300 -5.113 1.00 0.00 C ATOM 650 CD ARG A 46 -5.124 -9.266 -6.115 1.00 0.00 C ATOM 651 NE ARG A 46 -5.710 -10.588 -6.321 1.00 0.00 N ATOM 652 CZ ARG A 46 -6.658 -11.100 -5.544 1.00 0.00 C ATOM 653 NH1 ARG A 46 -7.125 -10.405 -4.517 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.142 -12.310 -5.796 1.00 0.00 N ATOM 0 H ARG A 46 -2.832 -11.765 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.543 -9.256 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.915 -10.818 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.181 -9.187 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.584 -8.294 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.168 -9.912 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.894 -8.579 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.761 -8.878 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.373 -11.148 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.757 -9.474 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.853 -10.801 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.786 -12.847 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.870 -12.703 -5.199 1.00 0.00 H new ATOM 668 N TYR A 47 -3.565 -8.724 -0.741 1.00 0.00 N ATOM 669 CA TYR A 47 -4.016 -8.454 0.619 1.00 0.00 C ATOM 670 C TYR A 47 -5.169 -7.454 0.623 1.00 0.00 C ATOM 671 O TYR A 47 -5.470 -6.832 -0.396 1.00 0.00 O ATOM 672 CB TYR A 47 -2.860 -7.919 1.466 1.00 0.00 C ATOM 673 CG TYR A 47 -1.869 -8.984 1.880 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.038 -9.589 0.945 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.764 -9.385 3.206 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.132 -10.562 1.319 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.860 -10.357 3.589 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.047 -10.943 2.642 1.00 0.00 C ATOM 679 OH TYR A 47 0.855 -11.911 3.019 1.00 0.00 O ATOM 0 H TYR A 47 -3.043 -7.961 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.370 -9.391 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.336 -7.146 0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.265 -7.444 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.102 -9.293 -0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.400 -8.929 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.507 -11.022 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.791 -10.656 4.624 1.00 0.00 H new ATOM 0 HH TYR A 47 0.789 -12.062 3.985 1.00 0.00 H new ATOM 689 N THR A 48 -5.810 -7.305 1.777 1.00 0.00 N ATOM 690 CA THR A 48 -6.930 -6.382 1.916 1.00 0.00 C ATOM 691 C THR A 48 -6.572 -5.216 2.830 1.00 0.00 C ATOM 692 O THR A 48 -5.773 -5.362 3.756 1.00 0.00 O ATOM 693 CB THR A 48 -8.178 -7.092 2.474 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.751 -7.936 1.469 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.211 -6.080 2.944 1.00 0.00 C ATOM 0 H THR A 48 -5.573 -7.812 2.630 1.00 0.00 H new ATOM 0 HA THR A 48 -7.152 -6.003 0.918 1.00 0.00 H new ATOM 0 HB THR A 48 -7.874 -7.699 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.543 -8.385 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.083 -6.605 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.780 -5.459 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.511 -5.450 2.106 1.00 0.00 H new ATOM 703 N LEU A 49 -7.166 -4.058 2.564 1.00 0.00 N ATOM 704 CA LEU A 49 -6.910 -2.865 3.364 1.00 0.00 C ATOM 705 C LEU A 49 -8.118 -2.521 4.231 1.00 0.00 C ATOM 706 O LEU A 49 -9.225 -2.337 3.724 1.00 0.00 O ATOM 707 CB LEU A 49 -6.566 -1.683 2.457 1.00 0.00 C ATOM 708 CG LEU A 49 -5.237 -1.778 1.706 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.305 -0.999 0.401 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.096 -1.268 2.575 1.00 0.00 C ATOM 0 H LEU A 49 -7.828 -3.920 1.801 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.063 -3.071 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.366 -1.567 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.554 -0.777 3.063 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.048 -2.825 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.351 -1.078 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.096 -1.409 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.517 0.049 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.158 -1.343 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.279 -0.227 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.033 -1.869 3.482 1.00 0.00 H new ATOM 722 N ILE A 50 -7.896 -2.434 5.538 1.00 0.00 N ATOM 723 CA ILE A 50 -8.965 -2.108 6.474 1.00 0.00 C ATOM 724 C ILE A 50 -8.646 -0.836 7.252 1.00 0.00 C ATOM 725 O ILE A 50 -7.536 -0.668 7.756 1.00 0.00 O ATOM 726 CB ILE A 50 -9.211 -3.257 7.469 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.372 -4.583 6.722 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.440 -2.969 8.318 1.00 0.00 C ATOM 729 CD1 ILE A 50 -8.059 -5.267 6.413 1.00 0.00 C ATOM 0 H ILE A 50 -6.986 -2.585 5.973 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.867 -1.952 5.882 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.348 -3.336 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.990 -5.254 7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.906 -4.402 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.601 -3.790 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.289 -2.044 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.312 -2.866 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.251 -6.200 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.447 -4.615 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.532 -5.480 7.343 1.00 0.00 H new ATOM 741 N GLU A 51 -9.627 0.055 7.346 1.00 0.00 N ATOM 742 CA GLU A 51 -9.451 1.312 8.064 1.00 0.00 C ATOM 743 C GLU A 51 -10.157 1.270 9.416 1.00 0.00 C ATOM 744 O GLU A 51 -11.386 1.254 9.488 1.00 0.00 O ATOM 745 CB GLU A 51 -9.986 2.480 7.233 1.00 0.00 C ATOM 746 CG GLU A 51 -9.007 2.981 6.185 1.00 0.00 C ATOM 747 CD GLU A 51 -9.503 4.221 5.468 1.00 0.00 C ATOM 748 OE1 GLU A 51 -10.726 4.474 5.500 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.670 4.939 4.877 1.00 0.00 O ATOM 0 H GLU A 51 -10.552 -0.070 6.934 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.384 1.456 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.907 2.171 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.243 3.302 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.051 3.199 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.827 2.192 5.455 1.00 0.00 H new ATOM 756 N LYS A 52 -9.370 1.251 10.487 1.00 0.00 N ATOM 757 CA LYS A 52 -9.917 1.211 11.838 1.00 0.00 C ATOM 758 C LYS A 52 -10.113 2.620 12.388 1.00 0.00 C ATOM 759 O LYS A 52 -9.187 3.431 12.385 1.00 0.00 O ATOM 760 CB LYS A 52 -8.992 0.416 12.762 1.00 0.00 C ATOM 761 CG LYS A 52 -9.705 -0.201 13.953 1.00 0.00 C ATOM 762 CD LYS A 52 -8.770 -0.364 15.140 1.00 0.00 C ATOM 763 CE LYS A 52 -8.791 0.862 16.039 1.00 0.00 C ATOM 764 NZ LYS A 52 -10.010 0.902 16.894 1.00 0.00 N ATOM 0 H LYS A 52 -8.351 1.263 10.445 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.888 0.718 11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.511 -0.376 12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.201 1.073 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.550 0.426 14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.110 -1.173 13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.061 -1.243 15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.755 -0.538 14.783 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.903 0.864 16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.747 1.762 15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.832 1.503 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.804 1.292 16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.246 -0.061 17.208 1.00 0.00 H new ATOM 778 N TRP A 53 -11.322 2.903 12.859 1.00 0.00 N ATOM 779 CA TRP A 53 -11.638 4.215 13.414 1.00 0.00 C ATOM 780 C TRP A 53 -12.800 4.125 14.396 1.00 0.00 C ATOM 781 O TRP A 53 -13.706 3.309 14.227 1.00 0.00 O ATOM 782 CB TRP A 53 -11.976 5.198 12.292 1.00 0.00 C ATOM 783 CG TRP A 53 -12.119 6.613 12.764 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.122 7.430 13.217 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.328 7.376 12.832 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.640 8.655 13.562 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.990 8.648 13.335 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.663 7.110 12.515 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.940 9.648 13.528 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.604 8.103 12.708 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.239 9.360 13.210 1.00 0.00 C ATOM 0 H TRP A 53 -12.099 2.243 12.868 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.761 4.576 13.951 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.196 5.153 11.532 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.905 4.887 11.814 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.081 7.154 13.293 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.105 9.442 13.928 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.954 6.145 12.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.661 10.617 13.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.639 7.907 12.468 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.998 10.116 13.348 1.00 0.00 H new ATOM 802 N ARG A 54 -12.769 4.970 15.422 1.00 0.00 N ATOM 803 CA ARG A 54 -13.821 4.984 16.432 1.00 0.00 C ATOM 804 C ARG A 54 -14.271 3.565 16.768 1.00 0.00 C ATOM 805 O ARG A 54 -15.467 3.290 16.867 1.00 0.00 O ATOM 806 CB ARG A 54 -15.014 5.807 15.944 1.00 0.00 C ATOM 807 CG ARG A 54 -14.842 7.305 16.137 1.00 0.00 C ATOM 808 CD ARG A 54 -14.832 7.679 17.611 1.00 0.00 C ATOM 809 NE ARG A 54 -13.485 7.653 18.174 1.00 0.00 N ATOM 810 CZ ARG A 54 -12.627 8.662 18.074 1.00 0.00 C ATOM 811 NH1 ARG A 54 -12.975 9.771 17.437 1.00 0.00 N ATOM 812 NH2 ARG A 54 -11.419 8.563 18.613 1.00 0.00 N ATOM 0 H ARG A 54 -12.027 5.653 15.576 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.417 5.442 17.335 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.177 5.602 14.886 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.910 5.482 16.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.911 7.628 15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.651 7.833 15.632 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.257 8.675 17.735 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.469 6.989 18.164 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.187 6.814 18.671 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.903 9.851 17.022 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.314 10.544 17.362 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.148 7.711 19.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.761 9.338 18.536 1.00 0.00 H new ATOM 826 N ASP A 55 -13.306 2.670 16.942 1.00 0.00 N ATOM 827 CA ASP A 55 -13.602 1.280 17.268 1.00 0.00 C ATOM 828 C ASP A 55 -14.486 0.647 16.197 1.00 0.00 C ATOM 829 O ASP A 55 -15.447 -0.059 16.507 1.00 0.00 O ATOM 830 CB ASP A 55 -14.288 1.188 18.632 1.00 0.00 C ATOM 831 CG ASP A 55 -13.614 2.055 19.678 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.640 1.584 20.301 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.062 3.205 19.873 1.00 0.00 O ATOM 0 H ASP A 55 -12.311 2.882 16.863 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.660 0.733 17.306 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.331 1.489 18.532 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.286 0.151 18.967 1.00 0.00 H new ATOM 838 N THR A 56 -14.156 0.905 14.936 1.00 0.00 N ATOM 839 CA THR A 56 -14.920 0.364 13.819 1.00 0.00 C ATOM 840 C THR A 56 -14.001 -0.254 12.772 1.00 0.00 C ATOM 841 O THR A 56 -12.831 0.112 12.667 1.00 0.00 O ATOM 842 CB THR A 56 -15.784 1.450 13.151 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.893 0.846 12.475 1.00 0.00 O ATOM 844 CG2 THR A 56 -14.962 2.262 12.161 1.00 0.00 C ATOM 0 H THR A 56 -13.364 1.486 14.662 1.00 0.00 H new ATOM 0 HA THR A 56 -15.572 -0.408 14.227 1.00 0.00 H new ATOM 0 HB THR A 56 -16.153 2.119 13.928 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.439 1.543 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.593 3.023 11.702 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.135 2.743 12.683 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.568 1.602 11.388 1.00 0.00 H new ATOM 852 N GLU A 57 -14.538 -1.193 11.999 1.00 0.00 N ATOM 853 CA GLU A 57 -13.764 -1.861 10.960 1.00 0.00 C ATOM 854 C GLU A 57 -14.538 -1.899 9.645 1.00 0.00 C ATOM 855 O GLU A 57 -15.731 -2.203 9.622 1.00 0.00 O ATOM 856 CB GLU A 57 -13.406 -3.284 11.394 1.00 0.00 C ATOM 857 CG GLU A 57 -12.157 -3.361 12.255 1.00 0.00 C ATOM 858 CD GLU A 57 -10.893 -3.538 11.436 1.00 0.00 C ATOM 859 OE1 GLU A 57 -10.787 -4.557 10.721 1.00 0.00 O ATOM 860 OE2 GLU A 57 -10.011 -2.657 11.509 1.00 0.00 O ATOM 0 H GLU A 57 -15.505 -1.508 12.073 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.846 -1.294 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.245 -3.708 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.264 -3.901 10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.075 -2.452 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.252 -4.193 12.953 1.00 0.00 H new ATOM 867 N ARG A 58 -13.850 -1.587 8.551 1.00 0.00 N ATOM 868 CA ARG A 58 -14.472 -1.584 7.232 1.00 0.00 C ATOM 869 C ARG A 58 -13.461 -1.960 6.153 1.00 0.00 C ATOM 870 O ARG A 58 -12.364 -1.402 6.093 1.00 0.00 O ATOM 871 CB ARG A 58 -15.068 -0.208 6.930 1.00 0.00 C ATOM 872 CG ARG A 58 -16.088 -0.220 5.803 1.00 0.00 C ATOM 873 CD ARG A 58 -15.422 -0.052 4.447 1.00 0.00 C ATOM 874 NE ARG A 58 -16.310 0.583 3.476 1.00 0.00 N ATOM 875 CZ ARG A 58 -17.204 -0.082 2.753 1.00 0.00 C ATOM 876 NH1 ARG A 58 -17.329 -1.394 2.891 1.00 0.00 N ATOM 877 NH2 ARG A 58 -17.976 0.567 1.890 1.00 0.00 N ATOM 0 H ARG A 58 -12.862 -1.333 8.552 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.270 -2.327 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.541 0.180 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.262 0.479 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.643 -1.158 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.811 0.581 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.519 0.548 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.113 -1.027 4.072 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.240 1.592 3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.738 -1.896 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.016 -1.902 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.883 1.577 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.662 0.056 1.335 1.00 0.00 H new ATOM 891 N HIS A 59 -13.836 -2.911 5.303 1.00 0.00 N ATOM 892 CA HIS A 59 -12.962 -3.362 4.226 1.00 0.00 C ATOM 893 C HIS A 59 -13.069 -2.438 3.017 1.00 0.00 C ATOM 894 O HIS A 59 -14.161 -2.203 2.497 1.00 0.00 O ATOM 895 CB HIS A 59 -13.314 -4.794 3.822 1.00 0.00 C ATOM 896 CG HIS A 59 -12.717 -5.834 4.719 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.422 -7.113 4.297 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.356 -5.777 6.023 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.909 -7.799 5.302 1.00 0.00 C ATOM 900 NE2 HIS A 59 -11.857 -7.011 6.361 1.00 0.00 N ATOM 0 H HIS A 59 -14.739 -3.384 5.339 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.935 -3.337 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.398 -4.906 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.974 -4.968 2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.444 -4.921 6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.587 -8.829 5.265 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.504 -7.276 7.280 1.00 0.00 H new ATOM 909 N LEU A 60 -11.931 -1.917 2.574 1.00 0.00 N ATOM 910 CA LEU A 60 -11.896 -1.018 1.425 1.00 0.00 C ATOM 911 C LEU A 60 -11.955 -1.802 0.118 1.00 0.00 C ATOM 912 O LEU A 60 -11.545 -2.961 0.059 1.00 0.00 O ATOM 913 CB LEU A 60 -10.630 -0.160 1.462 1.00 0.00 C ATOM 914 CG LEU A 60 -10.680 1.072 2.366 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.280 1.462 2.815 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.355 2.232 1.649 1.00 0.00 C ATOM 0 H LEU A 60 -11.019 -2.101 2.993 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.769 -0.368 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.799 -0.788 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.408 0.168 0.447 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.267 0.826 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.336 2.341 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.832 0.636 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.668 1.689 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.382 3.100 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.795 2.478 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.373 1.950 1.379 1.00 0.00 H new ATOM 928 N ALA A 61 -12.466 -1.161 -0.927 1.00 0.00 N ATOM 929 CA ALA A 61 -12.575 -1.797 -2.235 1.00 0.00 C ATOM 930 C ALA A 61 -11.227 -1.821 -2.947 1.00 0.00 C ATOM 931 O ALA A 61 -10.410 -0.910 -2.813 1.00 0.00 O ATOM 932 CB ALA A 61 -13.611 -1.078 -3.087 1.00 0.00 C ATOM 0 H ALA A 61 -12.811 -0.202 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.896 -2.828 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.682 -1.563 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.581 -1.117 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.314 -0.038 -3.221 1.00 0.00 H new ATOM 938 N PRO A 62 -10.986 -2.889 -3.722 1.00 0.00 N ATOM 939 CA PRO A 62 -9.737 -3.057 -4.471 1.00 0.00 C ATOM 940 C PRO A 62 -9.614 -2.069 -5.625 1.00 0.00 C ATOM 941 O PRO A 62 -8.589 -2.017 -6.306 1.00 0.00 O ATOM 942 CB PRO A 62 -9.832 -4.490 -5.002 1.00 0.00 C ATOM 943 CG PRO A 62 -11.293 -4.773 -5.068 1.00 0.00 C ATOM 944 CD PRO A 62 -11.914 -4.013 -3.929 1.00 0.00 C ATOM 0 HA PRO A 62 -8.861 -2.875 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.366 -4.580 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.322 -5.192 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.710 -4.454 -6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.488 -5.841 -4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.917 -3.665 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.003 -4.630 -3.035 1.00 0.00 H new ATOM 952 N HIS A 63 -10.666 -1.284 -5.840 1.00 0.00 N ATOM 953 CA HIS A 63 -10.675 -0.295 -6.912 1.00 0.00 C ATOM 954 C HIS A 63 -10.626 1.121 -6.346 1.00 0.00 C ATOM 955 O HIS A 63 -10.425 2.086 -7.082 1.00 0.00 O ATOM 956 CB HIS A 63 -11.921 -0.466 -7.782 1.00 0.00 C ATOM 957 CG HIS A 63 -13.178 -0.669 -6.994 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.913 0.373 -6.468 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.830 -1.802 -6.644 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.963 -0.111 -5.828 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.936 -1.429 -5.920 1.00 0.00 N ATOM 0 H HIS A 63 -11.522 -1.314 -5.286 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.788 -0.453 -7.525 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.036 0.414 -8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.776 -1.318 -8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.535 -2.812 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.715 0.471 -5.317 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.624 -2.066 -5.519 1.00 0.00 H new ATOM 970 N GLU A 64 -10.812 1.235 -5.035 1.00 0.00 N ATOM 971 CA GLU A 64 -10.790 2.534 -4.371 1.00 0.00 C ATOM 972 C GLU A 64 -9.358 2.968 -4.072 1.00 0.00 C ATOM 973 O GLU A 64 -8.452 2.140 -3.987 1.00 0.00 O ATOM 974 CB GLU A 64 -11.601 2.482 -3.074 1.00 0.00 C ATOM 975 CG GLU A 64 -13.095 2.665 -3.283 1.00 0.00 C ATOM 976 CD GLU A 64 -13.480 4.114 -3.504 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.365 4.591 -4.653 1.00 0.00 O ATOM 978 OE2 GLU A 64 -13.897 4.773 -2.528 1.00 0.00 O ATOM 0 H GLU A 64 -10.979 0.445 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.240 3.265 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.426 1.524 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.240 3.257 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.413 2.074 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.629 2.279 -2.415 1.00 0.00 H new ATOM 985 N ASN A 65 -9.163 4.273 -3.913 1.00 0.00 N ATOM 986 CA ASN A 65 -7.842 4.819 -3.624 1.00 0.00 C ATOM 987 C ASN A 65 -7.657 5.031 -2.125 1.00 0.00 C ATOM 988 O ASN A 65 -8.578 5.427 -1.410 1.00 0.00 O ATOM 989 CB ASN A 65 -7.639 6.141 -4.367 1.00 0.00 C ATOM 990 CG ASN A 65 -7.843 6.000 -5.863 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.882 5.865 -6.621 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.098 6.033 -6.295 1.00 0.00 N ATOM 0 H ASN A 65 -9.903 4.972 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.097 4.101 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.334 6.885 -3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.633 6.513 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.297 5.945 -7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.863 6.147 -5.630 1.00 0.00 H new ATOM 999 N PRO A 66 -6.437 4.764 -1.635 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.101 4.919 -0.217 1.00 0.00 C ATOM 1001 C PRO A 66 -6.060 6.382 0.212 1.00 0.00 C ATOM 1002 O PRO A 66 -6.481 6.727 1.316 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.710 4.291 -0.110 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.133 4.414 -1.478 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.291 4.289 -2.429 1.00 0.00 C ATOM 0 HA PRO A 66 -6.844 4.453 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.097 4.810 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.769 3.248 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.627 5.371 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.392 3.635 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.143 4.894 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.430 3.260 -2.760 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.550 7.237 -0.668 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.456 8.663 -0.381 1.00 0.00 C ATOM 1015 C ILE A 67 -6.837 9.308 -0.339 1.00 0.00 C ATOM 1016 O ILE A 67 -7.120 10.137 0.526 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.592 9.393 -1.427 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.198 8.766 -1.496 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.496 10.874 -1.095 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.314 9.374 -2.561 1.00 0.00 C ATOM 0 H ILE A 67 -5.196 6.967 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.984 8.757 0.597 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.066 9.290 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.712 8.874 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.298 7.697 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.882 11.376 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.494 11.312 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.042 10.998 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.342 8.881 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.779 9.243 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.183 10.438 -2.362 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.693 8.921 -1.278 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.046 9.460 -1.347 1.00 0.00 C ATOM 1034 C ILE A 68 -9.889 8.981 -0.170 1.00 0.00 C ATOM 1035 O ILE A 68 -10.474 9.784 0.555 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.744 9.061 -2.660 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.829 9.338 -3.855 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.060 9.811 -2.809 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.914 10.760 -4.364 1.00 0.00 C ATOM 0 H ILE A 68 -7.474 8.236 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.956 10.546 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.958 7.993 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.799 9.123 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.085 8.655 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.542 9.518 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.714 9.569 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.868 10.884 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.239 10.884 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.935 10.973 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.629 11.449 -3.569 1.00 0.00 H new ATOM 1051 N SER A 69 -9.944 7.665 0.015 1.00 0.00 N ATOM 1052 CA SER A 69 -10.716 7.078 1.103 1.00 0.00 C ATOM 1053 C SER A 69 -10.335 7.706 2.440 1.00 0.00 C ATOM 1054 O SER A 69 -11.159 7.804 3.351 1.00 0.00 O ATOM 1055 CB SER A 69 -10.495 5.565 1.155 1.00 0.00 C ATOM 1056 OG SER A 69 -11.367 4.954 2.090 1.00 0.00 O ATOM 0 H SER A 69 -9.463 6.986 -0.575 1.00 0.00 H new ATOM 0 HA SER A 69 -11.771 7.277 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.659 5.136 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.461 5.355 1.426 1.00 0.00 H new ATOM 0 HG SER A 69 -11.008 5.068 2.995 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.081 8.130 2.552 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.589 8.748 3.777 1.00 0.00 C ATOM 1064 C LEU A 70 -8.890 10.244 3.791 1.00 0.00 C ATOM 1065 O LEU A 70 -9.363 10.782 4.791 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.083 8.518 3.919 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.496 8.754 5.311 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.060 7.749 6.305 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -4.977 8.672 5.270 1.00 0.00 C ATOM 0 H LEU A 70 -8.387 8.057 1.809 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.102 8.285 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.863 7.492 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.568 9.171 3.214 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.777 9.755 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.631 7.932 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.144 7.856 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.810 6.738 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.576 8.842 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.675 7.684 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.590 9.431 4.590 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.613 10.908 2.674 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.856 12.341 2.557 1.00 0.00 C ATOM 1083 C ASN A 71 -10.249 12.701 3.065 1.00 0.00 C ATOM 1084 O ASN A 71 -10.428 13.694 3.771 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.701 12.789 1.102 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.249 12.981 0.708 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -6.360 12.304 1.224 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.003 13.907 -0.212 1.00 0.00 N ATOM 0 H ASN A 71 -8.220 10.477 1.837 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.119 12.859 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.158 12.048 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.242 13.724 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.045 14.080 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.772 14.445 -0.613 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.233 11.885 2.703 1.00 0.00 N ATOM 1096 CA LYS A 72 -12.611 12.114 3.123 1.00 0.00 C ATOM 1097 C LYS A 72 -12.661 12.690 4.534 1.00 0.00 C ATOM 1098 O LYS A 72 -13.223 13.762 4.758 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.407 10.809 3.065 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.959 10.493 1.686 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.412 9.047 1.584 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.802 8.855 2.171 1.00 0.00 C ATOM 1103 NZ LYS A 72 -16.537 7.744 1.506 1.00 0.00 N ATOM 0 H LYS A 72 -11.102 11.059 2.119 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.058 12.836 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.766 9.988 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.233 10.866 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.798 11.154 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.195 10.690 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.411 8.737 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.703 8.405 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.720 8.649 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.370 9.779 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.479 7.646 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.638 7.952 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.008 6.857 1.626 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.068 11.973 5.482 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.044 12.415 6.872 1.00 0.00 C ATOM 1119 C TRP A 73 -11.449 13.814 6.989 1.00 0.00 C ATOM 1120 O TRP A 73 -12.052 14.708 7.581 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.241 11.433 7.727 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.678 10.008 7.563 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.087 9.054 6.785 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -12.799 9.378 8.192 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -11.774 7.869 6.892 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -12.828 8.041 7.750 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.781 9.813 9.087 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.801 7.139 8.172 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.745 8.916 9.505 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.749 7.591 9.048 1.00 0.00 C ATOM 0 H TRP A 73 -11.598 11.084 5.314 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.071 12.446 7.235 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.186 11.514 7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.333 11.716 8.776 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.209 9.208 6.175 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.537 7.001 6.410 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.786 10.832 9.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.807 6.118 7.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.509 9.241 10.196 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.516 6.914 9.394 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.261 13.997 6.419 1.00 0.00 N ATOM 1142 CA GLY A 74 -9.605 15.290 6.471 1.00 0.00 C ATOM 1143 C GLY A 74 -9.164 15.661 7.873 1.00 0.00 C ATOM 1144 O GLY A 74 -8.044 15.354 8.279 1.00 0.00 O ATOM 0 H GLY A 74 -9.742 13.273 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.737 15.280 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.284 16.054 6.093 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.047 16.324 8.613 1.00 0.00 N ATOM 1149 CA GLN A 75 -9.741 16.739 9.977 1.00 0.00 C ATOM 1150 C GLN A 75 -9.494 15.528 10.872 1.00 0.00 C ATOM 1151 O GLN A 75 -8.782 15.619 11.872 1.00 0.00 O ATOM 1152 CB GLN A 75 -10.884 17.583 10.544 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.187 16.815 10.701 1.00 0.00 C ATOM 1154 CD GLN A 75 -13.060 16.889 9.463 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -12.912 17.791 8.638 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -13.976 15.938 9.327 1.00 0.00 N ATOM 0 H GLN A 75 -10.979 16.585 8.291 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.832 17.341 9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.586 17.978 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.052 18.438 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.965 15.771 10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.738 17.212 11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.064 15.209 10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.592 15.936 8.514 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.087 14.398 10.506 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.934 13.170 11.277 1.00 0.00 C ATOM 1167 C TYR A 76 -9.326 12.062 10.422 1.00 0.00 C ATOM 1168 O TYR A 76 -9.608 10.881 10.625 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.286 12.718 11.831 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.923 13.722 12.766 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.266 14.145 13.914 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -13.183 14.245 12.502 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -11.844 15.061 14.772 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.768 15.162 13.353 1.00 0.00 C ATOM 1175 CZ TYR A 76 -13.095 15.567 14.486 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.675 16.480 15.337 1.00 0.00 O ATOM 0 H TYR A 76 -10.678 14.306 9.680 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.259 13.375 12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.964 12.527 11.000 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.155 11.774 12.359 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.286 13.751 14.140 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.714 13.929 11.616 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.320 15.379 15.661 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.747 15.560 13.132 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.555 16.737 14.990 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.490 12.453 9.466 1.00 0.00 N ATOM 1187 CA ALA A 77 -7.840 11.494 8.582 1.00 0.00 C ATOM 1188 C ALA A 77 -6.636 10.849 9.261 1.00 0.00 C ATOM 1189 O ALA A 77 -6.386 9.655 9.099 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.417 12.173 7.287 1.00 0.00 C ATOM 0 H ALA A 77 -8.247 13.427 9.284 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.558 10.707 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.933 11.445 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.295 12.580 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.720 12.980 7.510 1.00 0.00 H new ATOM 1196 N SER A 78 -5.893 11.648 10.020 1.00 0.00 N ATOM 1197 CA SER A 78 -4.713 11.155 10.721 1.00 0.00 C ATOM 1198 C SER A 78 -5.089 10.067 11.721 1.00 0.00 C ATOM 1199 O SER A 78 -4.424 9.035 11.812 1.00 0.00 O ATOM 1200 CB SER A 78 -4.005 12.304 11.442 1.00 0.00 C ATOM 1201 OG SER A 78 -3.066 12.939 10.592 1.00 0.00 O ATOM 0 H SER A 78 -6.087 12.639 10.165 1.00 0.00 H new ATOM 0 HA SER A 78 -4.036 10.726 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.741 13.032 11.783 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.498 11.923 12.329 1.00 0.00 H new ATOM 0 HG SER A 78 -2.629 13.670 11.076 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.160 10.305 12.470 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.627 9.346 13.464 1.00 0.00 C ATOM 1209 C ASP A 79 -6.870 7.980 12.829 1.00 0.00 C ATOM 1210 O ASP A 79 -6.618 6.944 13.444 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.910 9.849 14.127 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.637 10.867 15.218 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.613 11.575 15.125 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.447 10.954 16.164 1.00 0.00 O ATOM 0 H ASP A 79 -6.721 11.154 12.408 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.852 9.241 14.223 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.556 10.295 13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.452 9.004 14.550 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.361 7.987 11.594 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.639 6.749 10.875 1.00 0.00 C ATOM 1221 C VAL A 80 -6.359 5.956 10.632 1.00 0.00 C ATOM 1222 O VAL A 80 -5.369 6.494 10.137 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.322 7.026 9.523 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.563 5.727 8.770 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.627 7.781 9.731 1.00 0.00 C ATOM 0 H VAL A 80 -7.575 8.836 11.070 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.313 6.164 11.501 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.660 7.649 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.046 5.943 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.610 5.229 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.205 5.076 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.097 7.969 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.297 7.185 10.351 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.423 8.731 10.226 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.388 4.675 10.983 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.230 3.808 10.803 1.00 0.00 C ATOM 1237 C GLN A 81 -5.585 2.595 9.949 1.00 0.00 C ATOM 1238 O GLN A 81 -6.580 1.915 10.201 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.692 3.350 12.160 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.291 4.498 13.073 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.082 4.056 14.508 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -5.020 3.624 15.180 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.848 4.161 14.987 1.00 0.00 N ATOM 0 H GLN A 81 -7.200 4.215 11.394 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.458 4.379 10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.452 2.748 12.659 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.828 2.705 12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.373 4.951 12.699 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.062 5.268 13.042 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.101 4.524 14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.648 3.878 15.946 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.766 2.330 8.937 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.994 1.199 8.044 1.00 0.00 C ATOM 1254 C LEU A 82 -4.366 -0.072 8.605 1.00 0.00 C ATOM 1255 O LEU A 82 -3.416 -0.015 9.387 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.421 1.496 6.657 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.994 2.719 5.941 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -3.955 3.332 5.016 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.247 2.342 5.163 1.00 0.00 C ATOM 0 H LEU A 82 -3.938 2.883 8.714 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.070 1.044 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.343 1.628 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.581 0.622 6.025 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.265 3.462 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.381 4.201 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.086 3.638 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.652 2.596 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.642 3.224 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.000 1.581 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.997 1.950 5.850 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.901 -1.219 8.200 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.391 -2.505 8.660 1.00 0.00 C ATOM 1273 C ILE A 83 -4.365 -3.524 7.526 1.00 0.00 C ATOM 1274 O ILE A 83 -5.403 -3.855 6.951 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.237 -3.064 9.819 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.129 -2.153 11.044 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.794 -4.478 10.163 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.129 -1.018 11.042 1.00 0.00 C ATOM 0 H ILE A 83 -5.688 -1.284 7.554 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.374 -2.333 9.013 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.280 -3.097 9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.271 -2.750 11.945 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.122 -1.739 11.091 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.401 -4.860 10.984 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.918 -5.120 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.746 -4.468 10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.995 -0.413 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.973 -0.397 10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.140 -1.424 11.026 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.174 -4.019 7.210 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.012 -5.003 6.145 1.00 0.00 C ATOM 1292 C LEU A 84 -3.294 -6.411 6.658 1.00 0.00 C ATOM 1293 O LEU A 84 -2.509 -6.972 7.422 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.598 -4.931 5.567 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.383 -5.634 4.227 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.809 -4.733 3.077 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.072 -6.051 4.070 1.00 0.00 C ATOM 0 H LEU A 84 -2.306 -3.755 7.676 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.730 -4.772 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.328 -3.881 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.908 -5.359 6.294 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.001 -6.532 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.649 -5.250 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.865 -4.485 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.218 -3.817 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.206 -6.550 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.710 -5.168 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.344 -6.734 4.875 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.417 -6.978 6.231 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.802 -8.321 6.646 1.00 0.00 C ATOM 1311 C ARG A 85 -4.714 -9.298 5.477 1.00 0.00 C ATOM 1312 O ARG A 85 -4.946 -8.926 4.326 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.222 -8.316 7.214 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.619 -9.627 7.873 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.993 -9.532 8.518 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.559 -10.849 8.798 1.00 0.00 N ATOM 1317 CZ ARG A 85 -9.521 -11.062 9.688 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -10.023 -10.049 10.381 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.984 -12.289 9.887 1.00 0.00 N ATOM 0 H ARG A 85 -5.077 -6.528 5.597 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.109 -8.646 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.309 -7.511 7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.925 -8.096 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.619 -10.424 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.879 -9.895 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.919 -8.965 9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.665 -8.981 7.860 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.195 -11.650 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.670 -9.104 10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.762 -10.215 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.601 -13.071 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.723 -12.450 10.571 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.377 -10.547 5.780 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.257 -11.576 4.754 1.00 0.00 C ATOM 1335 C ARG A 86 -5.553 -12.372 4.628 1.00 0.00 C ATOM 1336 O ARG A 86 -6.204 -12.683 5.626 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.097 -12.518 5.080 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.341 -13.383 6.306 1.00 0.00 C ATOM 1339 CD ARG A 86 -2.194 -14.355 6.540 1.00 0.00 C ATOM 1340 NE ARG A 86 -0.956 -13.666 6.893 1.00 0.00 N ATOM 1341 CZ ARG A 86 0.149 -14.293 7.279 1.00 0.00 C ATOM 1342 NH1 ARG A 86 0.171 -15.616 7.360 1.00 0.00 N ATOM 1343 NH2 ARG A 86 1.237 -13.596 7.584 1.00 0.00 N ATOM 0 H ARG A 86 -4.182 -10.871 6.727 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.060 -11.083 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.912 -13.163 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.194 -11.928 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.465 -12.747 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.270 -13.939 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.463 -15.048 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.034 -14.950 5.641 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.939 -12.648 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.662 -16.155 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.021 -16.095 7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.225 -12.578 7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.085 -14.079 7.880 1.00 0.00 H new