USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=14 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 Single : A 8 MET CE :methyl 149:sc= -0.139 (180deg=-1.78!) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0181 (180deg=-0.233) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.378 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.79) USER MOD Single : A 63 HIS : no HD1:sc= -5.79! C(o=-5.8!,f=-6.9!) USER MOD Single : A 65 ASN : amide:sc= -0.559 K(o=-0.56,f=0.86) USER MOD Single : A 69 SER OG : rot 90:sc= 0.107 USER MOD Single : A 71 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) 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 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.287 12.845 -3.844 1.00 0.00 N ATOM 60 CA GLY A 7 3.993 12.243 -3.580 1.00 0.00 C ATOM 61 C GLY A 7 3.621 12.289 -2.111 1.00 0.00 C ATOM 62 O GLY A 7 3.900 13.271 -1.424 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.230 12.760 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.002 11.206 -3.917 1.00 0.00 H new ATOM 66 N MET A 8 2.988 11.225 -1.629 1.00 0.00 N ATOM 67 CA MET A 8 2.576 11.148 -0.232 1.00 0.00 C ATOM 68 C MET A 8 2.976 9.809 0.380 1.00 0.00 C ATOM 69 O MET A 8 3.344 8.876 -0.334 1.00 0.00 O ATOM 70 CB MET A 8 1.064 11.346 -0.112 1.00 0.00 C ATOM 71 CG MET A 8 0.570 12.645 -0.727 1.00 0.00 C ATOM 72 SD MET A 8 -0.918 13.272 0.075 1.00 0.00 S ATOM 73 CE MET A 8 -2.118 13.081 -1.241 1.00 0.00 C ATOM 0 H MET A 8 2.749 10.404 -2.185 1.00 0.00 H new ATOM 0 HA MET A 8 3.083 11.943 0.315 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.557 10.510 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.785 11.323 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.357 13.396 -0.661 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.368 12.487 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.101 12.885 -0.812 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.157 13.995 -1.834 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.828 12.247 -1.880 1.00 0.00 H new ATOM 83 N GLU A 9 2.902 9.723 1.704 1.00 0.00 N ATOM 84 CA GLU A 9 3.257 8.498 2.410 1.00 0.00 C ATOM 85 C GLU A 9 2.059 7.943 3.176 1.00 0.00 C ATOM 86 O GLU A 9 1.403 8.663 3.930 1.00 0.00 O ATOM 87 CB GLU A 9 4.417 8.757 3.375 1.00 0.00 C ATOM 88 CG GLU A 9 5.505 9.645 2.794 1.00 0.00 C ATOM 89 CD GLU A 9 5.012 11.045 2.485 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.582 11.744 3.426 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.056 11.441 1.301 1.00 0.00 O ATOM 0 H GLU A 9 2.600 10.486 2.309 1.00 0.00 H new ATOM 0 HA GLU A 9 3.566 7.760 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.028 9.220 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.856 7.803 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.335 9.703 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.891 9.190 1.882 1.00 0.00 H new ATOM 98 N LEU A 10 1.779 6.660 2.975 1.00 0.00 N ATOM 99 CA LEU A 10 0.660 6.008 3.646 1.00 0.00 C ATOM 100 C LEU A 10 1.120 5.310 4.922 1.00 0.00 C ATOM 101 O LEU A 10 2.273 4.891 5.032 1.00 0.00 O ATOM 102 CB LEU A 10 -0.002 4.996 2.708 1.00 0.00 C ATOM 103 CG LEU A 10 -1.478 4.699 2.976 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.332 5.918 2.668 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.938 3.502 2.155 1.00 0.00 C ATOM 0 H LEU A 10 2.311 6.051 2.353 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.066 6.775 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.095 5.361 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.553 4.060 2.766 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.595 4.457 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.379 5.688 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.019 6.750 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.211 6.191 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.991 3.305 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.807 3.716 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.346 2.627 2.424 1.00 0.00 H new ATOM 117 N LYS A 11 0.212 5.187 5.883 1.00 0.00 N ATOM 118 CA LYS A 11 0.522 4.538 7.151 1.00 0.00 C ATOM 119 C LYS A 11 -0.417 3.363 7.405 1.00 0.00 C ATOM 120 O LYS A 11 -1.599 3.552 7.694 1.00 0.00 O ATOM 121 CB LYS A 11 0.422 5.543 8.301 1.00 0.00 C ATOM 122 CG LYS A 11 1.466 6.644 8.239 1.00 0.00 C ATOM 123 CD LYS A 11 1.358 7.583 9.429 1.00 0.00 C ATOM 124 CE LYS A 11 2.130 8.872 9.194 1.00 0.00 C ATOM 125 NZ LYS A 11 1.479 9.728 8.164 1.00 0.00 N ATOM 0 H LYS A 11 -0.746 5.529 5.808 1.00 0.00 H new ATOM 0 HA LYS A 11 1.543 4.159 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.570 5.994 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.523 5.011 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.462 6.201 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.345 7.210 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.310 7.815 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.740 7.087 10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.207 9.425 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.146 8.635 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.851 10.697 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.680 9.346 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.451 9.740 8.322 1.00 0.00 H new ATOM 139 N VAL A 12 0.116 2.150 7.297 1.00 0.00 N ATOM 140 CA VAL A 12 -0.675 0.945 7.517 1.00 0.00 C ATOM 141 C VAL A 12 0.033 -0.009 8.473 1.00 0.00 C ATOM 142 O VAL A 12 1.254 0.039 8.622 1.00 0.00 O ATOM 143 CB VAL A 12 -0.960 0.211 6.194 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.344 1.202 5.106 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.246 -0.615 5.773 1.00 0.00 C ATOM 0 H VAL A 12 1.092 1.976 7.058 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.620 1.262 7.958 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.800 -0.467 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.542 0.665 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.239 1.746 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.527 1.906 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.027 -1.127 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.106 0.040 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.470 -1.351 6.545 1.00 0.00 H new ATOM 155 N TRP A 13 -0.741 -0.875 9.116 1.00 0.00 N ATOM 156 CA TRP A 13 -0.188 -1.842 10.058 1.00 0.00 C ATOM 157 C TRP A 13 0.021 -3.196 9.388 1.00 0.00 C ATOM 158 O TRP A 13 -0.936 -3.842 8.961 1.00 0.00 O ATOM 159 CB TRP A 13 -1.113 -1.994 11.266 1.00 0.00 C ATOM 160 CG TRP A 13 -1.066 -0.824 12.202 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.727 0.363 12.063 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.316 -0.729 13.418 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.433 1.190 13.120 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.571 0.544 13.966 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.543 -1.595 14.099 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.005 0.969 15.160 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.114 -1.172 15.284 1.00 0.00 C ATOM 168 CH2 TRP A 13 0.842 0.100 15.805 1.00 0.00 C ATOM 0 H TRP A 13 -1.753 -0.928 9.003 1.00 0.00 H new ATOM 0 HA TRP A 13 0.780 -1.471 10.395 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.136 -2.129 10.916 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.841 -2.898 11.811 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.384 0.614 11.243 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.798 2.133 13.253 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.757 -2.578 13.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.201 1.950 15.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.781 -1.833 15.818 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.302 0.401 16.735 1.00 0.00 H new ATOM 179 N VAL A 14 1.278 -3.619 9.299 1.00 0.00 N ATOM 180 CA VAL A 14 1.612 -4.898 8.682 1.00 0.00 C ATOM 181 C VAL A 14 2.531 -5.718 9.580 1.00 0.00 C ATOM 182 O VAL A 14 3.517 -5.205 10.111 1.00 0.00 O ATOM 183 CB VAL A 14 2.292 -4.700 7.314 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.450 -6.033 6.599 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.499 -3.720 6.463 1.00 0.00 C ATOM 0 H VAL A 14 2.082 -3.095 9.646 1.00 0.00 H new ATOM 0 HA VAL A 14 0.674 -5.435 8.539 1.00 0.00 H new ATOM 0 HB VAL A 14 3.286 -4.283 7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.932 -5.874 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.063 -6.701 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.469 -6.481 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.993 -3.592 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.492 -4.107 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.442 -2.758 6.973 1.00 0.00 H new ATOM 195 N ASP A 15 2.202 -6.994 9.746 1.00 0.00 N ATOM 196 CA ASP A 15 2.998 -7.887 10.579 1.00 0.00 C ATOM 197 C ASP A 15 3.106 -7.351 12.003 1.00 0.00 C ATOM 198 O ASP A 15 4.073 -7.629 12.711 1.00 0.00 O ATOM 199 CB ASP A 15 4.395 -8.066 9.981 1.00 0.00 C ATOM 200 CG ASP A 15 5.190 -9.151 10.682 1.00 0.00 C ATOM 201 OD1 ASP A 15 4.565 -10.053 11.277 1.00 0.00 O ATOM 202 OD2 ASP A 15 6.437 -9.096 10.636 1.00 0.00 O ATOM 0 H ASP A 15 1.389 -7.433 9.314 1.00 0.00 H new ATOM 0 HA ASP A 15 2.498 -8.855 10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.305 -8.311 8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.938 -7.123 10.045 1.00 0.00 H new ATOM 207 N GLY A 16 2.106 -6.577 12.416 1.00 0.00 N ATOM 208 CA GLY A 16 2.108 -6.013 13.753 1.00 0.00 C ATOM 209 C GLY A 16 3.039 -4.824 13.878 1.00 0.00 C ATOM 210 O GLY A 16 3.336 -4.372 14.984 1.00 0.00 O ATOM 0 H GLY A 16 1.295 -6.331 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.096 -5.707 14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.406 -6.780 14.468 1.00 0.00 H new ATOM 214 N VAL A 17 3.504 -4.315 12.741 1.00 0.00 N ATOM 215 CA VAL A 17 4.408 -3.171 12.728 1.00 0.00 C ATOM 216 C VAL A 17 3.984 -2.147 11.682 1.00 0.00 C ATOM 217 O VAL A 17 3.524 -2.507 10.599 1.00 0.00 O ATOM 218 CB VAL A 17 5.859 -3.606 12.447 1.00 0.00 C ATOM 219 CG1 VAL A 17 5.988 -4.154 11.034 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.815 -2.443 12.666 1.00 0.00 C ATOM 0 H VAL A 17 3.269 -4.677 11.817 1.00 0.00 H new ATOM 0 HA VAL A 17 4.358 -2.716 13.717 1.00 0.00 H new ATOM 0 HB VAL A 17 6.124 -4.401 13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.020 -4.456 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.332 -5.016 10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.705 -3.383 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.836 -2.768 12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.554 -1.626 11.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.742 -2.101 13.698 1.00 0.00 H new ATOM 230 N GLN A 18 4.143 -0.870 12.013 1.00 0.00 N ATOM 231 CA GLN A 18 3.776 0.207 11.101 1.00 0.00 C ATOM 232 C GLN A 18 4.687 0.218 9.878 1.00 0.00 C ATOM 233 O GLN A 18 5.910 0.273 10.004 1.00 0.00 O ATOM 234 CB GLN A 18 3.846 1.557 11.817 1.00 0.00 C ATOM 235 CG GLN A 18 2.998 2.636 11.166 1.00 0.00 C ATOM 236 CD GLN A 18 2.879 3.882 12.022 1.00 0.00 C ATOM 237 OE1 GLN A 18 3.761 4.741 12.014 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.785 3.986 12.767 1.00 0.00 N ATOM 0 H GLN A 18 4.523 -0.556 12.906 1.00 0.00 H new ATOM 0 HA GLN A 18 2.753 0.034 10.768 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.524 1.428 12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.883 1.890 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.433 2.902 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.002 2.240 10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.079 3.250 12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.650 4.802 13.364 1.00 0.00 H new ATOM 247 N ARG A 19 4.082 0.166 8.696 1.00 0.00 N ATOM 248 CA ARG A 19 4.839 0.169 7.450 1.00 0.00 C ATOM 249 C ARG A 19 4.447 1.359 6.578 1.00 0.00 C ATOM 250 O ARG A 19 3.340 1.409 6.041 1.00 0.00 O ATOM 251 CB ARG A 19 4.608 -1.135 6.685 1.00 0.00 C ATOM 252 CG ARG A 19 5.563 -2.250 7.080 1.00 0.00 C ATOM 253 CD ARG A 19 6.995 -1.923 6.687 1.00 0.00 C ATOM 254 NE ARG A 19 7.879 -3.076 6.829 1.00 0.00 N ATOM 255 CZ ARG A 19 9.186 -3.034 6.594 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.757 -1.902 6.208 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.924 -4.126 6.745 1.00 0.00 N ATOM 0 H ARG A 19 3.070 0.121 8.575 1.00 0.00 H new ATOM 0 HA ARG A 19 5.897 0.255 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.584 -1.469 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.709 -0.943 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.508 -2.413 8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.256 -3.180 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.017 -1.575 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.363 -1.106 7.307 1.00 0.00 H new ATOM 0 HE ARG A 19 7.471 -3.963 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.193 -1.060 6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.761 -1.872 6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.488 -4.999 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.927 -4.093 6.564 1.00 0.00 H new ATOM 271 N ILE A 20 5.361 2.313 6.443 1.00 0.00 N ATOM 272 CA ILE A 20 5.111 3.501 5.637 1.00 0.00 C ATOM 273 C ILE A 20 5.525 3.279 4.186 1.00 0.00 C ATOM 274 O ILE A 20 6.572 2.692 3.912 1.00 0.00 O ATOM 275 CB ILE A 20 5.861 4.727 6.191 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.368 5.059 7.601 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.682 5.921 5.266 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.093 6.225 8.235 1.00 0.00 C ATOM 0 H ILE A 20 6.282 2.287 6.881 1.00 0.00 H new ATOM 0 HA ILE A 20 4.039 3.691 5.682 1.00 0.00 H new ATOM 0 HB ILE A 20 6.924 4.491 6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.302 5.283 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.486 4.180 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.218 6.779 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.077 5.679 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.622 6.161 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.692 6.404 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.156 5.997 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.954 7.116 7.623 1.00 0.00 H new ATOM 290 N VAL A 21 4.698 3.753 3.260 1.00 0.00 N ATOM 291 CA VAL A 21 4.980 3.609 1.837 1.00 0.00 C ATOM 292 C VAL A 21 5.430 4.932 1.229 1.00 0.00 C ATOM 293 O VAL A 21 5.137 6.003 1.762 1.00 0.00 O ATOM 294 CB VAL A 21 3.746 3.097 1.070 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.125 2.707 -0.351 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.112 1.924 1.802 1.00 0.00 C ATOM 0 H VAL A 21 3.827 4.240 3.470 1.00 0.00 H new ATOM 0 HA VAL A 21 5.784 2.879 1.746 1.00 0.00 H new ATOM 0 HB VAL A 21 3.013 3.902 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.241 2.348 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.529 3.575 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.877 1.918 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.242 1.575 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.836 1.114 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.803 2.241 2.798 1.00 0.00 H new ATOM 306 N CYS A 22 6.143 4.851 0.111 1.00 0.00 N ATOM 307 CA CYS A 22 6.635 6.043 -0.570 1.00 0.00 C ATOM 308 C CYS A 22 6.275 6.010 -2.052 1.00 0.00 C ATOM 309 O CYS A 22 5.837 4.985 -2.572 1.00 0.00 O ATOM 310 CB CYS A 22 8.151 6.162 -0.404 1.00 0.00 C ATOM 311 SG CYS A 22 9.087 4.835 -1.199 1.00 0.00 S ATOM 0 H CYS A 22 6.393 3.972 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 22 6.158 6.912 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.477 7.118 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.389 6.174 0.660 1.00 0.00 H new ATOM 0 HG CYS A 22 10.358 5.024 -1.005 1.00 0.00 H new ATOM 317 N GLY A 23 6.461 7.141 -2.726 1.00 0.00 N ATOM 318 CA GLY A 23 6.148 7.220 -4.141 1.00 0.00 C ATOM 319 C GLY A 23 4.762 6.696 -4.460 1.00 0.00 C ATOM 320 O GLY A 23 4.486 6.299 -5.592 1.00 0.00 O ATOM 0 H GLY A 23 6.822 8.003 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.225 8.256 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.887 6.651 -4.705 1.00 0.00 H new ATOM 324 N VAL A 24 3.888 6.692 -3.458 1.00 0.00 N ATOM 325 CA VAL A 24 2.523 6.211 -3.637 1.00 0.00 C ATOM 326 C VAL A 24 1.548 7.372 -3.795 1.00 0.00 C ATOM 327 O VAL A 24 1.353 8.165 -2.873 1.00 0.00 O ATOM 328 CB VAL A 24 2.076 5.338 -2.449 1.00 0.00 C ATOM 329 CG1 VAL A 24 2.056 6.152 -1.165 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.711 4.725 -2.724 1.00 0.00 C ATOM 0 H VAL A 24 4.101 7.016 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 24 2.516 5.608 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 24 2.795 4.528 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.738 5.518 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.055 6.538 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.361 6.984 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.410 4.111 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.020 5.519 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.764 4.105 -3.619 1.00 0.00 H new ATOM 340 N THR A 25 0.936 7.467 -4.971 1.00 0.00 N ATOM 341 CA THR A 25 -0.020 8.532 -5.251 1.00 0.00 C ATOM 342 C THR A 25 -1.443 7.990 -5.317 1.00 0.00 C ATOM 343 O THR A 25 -1.671 6.876 -5.786 1.00 0.00 O ATOM 344 CB THR A 25 0.307 9.245 -6.577 1.00 0.00 C ATOM 345 OG1 THR A 25 0.393 8.290 -7.640 1.00 0.00 O ATOM 346 CG2 THR A 25 1.618 10.011 -6.470 1.00 0.00 C ATOM 0 H THR A 25 1.085 6.820 -5.745 1.00 0.00 H new ATOM 0 HA THR A 25 0.056 9.248 -4.433 1.00 0.00 H new ATOM 0 HB THR A 25 -0.494 9.953 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.599 8.752 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.828 10.506 -7.418 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.540 10.758 -5.680 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.426 9.318 -6.235 1.00 0.00 H new ATOM 354 N GLU A 26 -2.397 8.786 -4.844 1.00 0.00 N ATOM 355 CA GLU A 26 -3.798 8.385 -4.850 1.00 0.00 C ATOM 356 C GLU A 26 -4.172 7.732 -6.178 1.00 0.00 C ATOM 357 O GLU A 26 -4.905 6.743 -6.211 1.00 0.00 O ATOM 358 CB GLU A 26 -4.700 9.594 -4.593 1.00 0.00 C ATOM 359 CG GLU A 26 -4.470 10.742 -5.563 1.00 0.00 C ATOM 360 CD GLU A 26 -4.817 12.090 -4.963 1.00 0.00 C ATOM 361 OE1 GLU A 26 -4.731 12.229 -3.725 1.00 0.00 O ATOM 362 OE2 GLU A 26 -5.176 13.007 -5.732 1.00 0.00 O ATOM 0 H GLU A 26 -2.225 9.712 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.943 7.656 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.742 9.279 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.535 9.950 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.426 10.745 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.070 10.582 -6.459 1.00 0.00 H new ATOM 369 N VAL A 27 -3.663 8.292 -7.270 1.00 0.00 N ATOM 370 CA VAL A 27 -3.942 7.765 -8.601 1.00 0.00 C ATOM 371 C VAL A 27 -3.899 6.241 -8.608 1.00 0.00 C ATOM 372 O VAL A 27 -4.740 5.588 -9.227 1.00 0.00 O ATOM 373 CB VAL A 27 -2.937 8.301 -9.638 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.220 7.708 -11.010 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.980 9.820 -9.685 1.00 0.00 C ATOM 0 H VAL A 27 -3.055 9.111 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.944 8.099 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.934 7.999 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.501 8.098 -11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.134 6.622 -10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.229 7.978 -11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.264 10.182 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.982 10.147 -9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.725 10.222 -8.704 1.00 0.00 H new ATOM 385 N THR A 28 -2.913 5.678 -7.915 1.00 0.00 N ATOM 386 CA THR A 28 -2.760 4.231 -7.842 1.00 0.00 C ATOM 387 C THR A 28 -4.000 3.576 -7.244 1.00 0.00 C ATOM 388 O THR A 28 -4.795 4.229 -6.566 1.00 0.00 O ATOM 389 CB THR A 28 -1.530 3.838 -7.002 1.00 0.00 C ATOM 390 OG1 THR A 28 -1.052 2.550 -7.405 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.872 3.817 -5.519 1.00 0.00 C ATOM 0 H THR A 28 -2.209 6.203 -7.397 1.00 0.00 H new ATOM 0 HA THR A 28 -2.622 3.876 -8.863 1.00 0.00 H new ATOM 0 HB THR A 28 -0.751 4.582 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.269 2.309 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.988 3.537 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.207 4.807 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.666 3.092 -5.339 1.00 0.00 H new ATOM 399 N THR A 29 -4.160 2.281 -7.497 1.00 0.00 N ATOM 400 CA THR A 29 -5.304 1.538 -6.984 1.00 0.00 C ATOM 401 C THR A 29 -4.943 0.785 -5.709 1.00 0.00 C ATOM 402 O THR A 29 -3.807 0.340 -5.540 1.00 0.00 O ATOM 403 CB THR A 29 -5.835 0.535 -8.026 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.808 -0.400 -8.374 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.317 1.257 -9.275 1.00 0.00 C ATOM 0 H THR A 29 -3.511 1.725 -8.054 1.00 0.00 H new ATOM 0 HA THR A 29 -6.083 2.268 -6.764 1.00 0.00 H new ATOM 0 HB THR A 29 -6.678 0.000 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.154 -1.035 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.687 0.529 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.119 1.946 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.490 1.815 -9.715 1.00 0.00 H new ATOM 413 N CYS A 30 -5.916 0.645 -4.815 1.00 0.00 N ATOM 414 CA CYS A 30 -5.700 -0.055 -3.553 1.00 0.00 C ATOM 415 C CYS A 30 -4.860 -1.311 -3.765 1.00 0.00 C ATOM 416 O CYS A 30 -3.928 -1.580 -3.007 1.00 0.00 O ATOM 417 CB CYS A 30 -7.040 -0.425 -2.915 1.00 0.00 C ATOM 418 SG CYS A 30 -7.822 0.928 -2.006 1.00 0.00 S ATOM 0 H CYS A 30 -6.861 1.007 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.159 0.613 -2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.720 -0.765 -3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.888 -1.264 -2.237 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.950 0.519 -1.505 1.00 0.00 H new ATOM 424 N GLN A 31 -5.198 -2.075 -4.799 1.00 0.00 N ATOM 425 CA GLN A 31 -4.476 -3.303 -5.108 1.00 0.00 C ATOM 426 C GLN A 31 -2.970 -3.060 -5.128 1.00 0.00 C ATOM 427 O GLN A 31 -2.198 -3.849 -4.586 1.00 0.00 O ATOM 428 CB GLN A 31 -4.932 -3.862 -6.457 1.00 0.00 C ATOM 429 CG GLN A 31 -4.821 -5.375 -6.558 1.00 0.00 C ATOM 430 CD GLN A 31 -5.469 -5.925 -7.812 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.113 -5.193 -8.565 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.303 -7.222 -8.045 1.00 0.00 N ATOM 0 H GLN A 31 -5.966 -1.865 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.698 -4.031 -4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.968 -3.570 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.336 -3.409 -7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.769 -5.660 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.287 -5.829 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.762 -7.792 -7.395 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.717 -7.648 -8.874 1.00 0.00 H new ATOM 441 N GLU A 32 -2.562 -1.962 -5.757 1.00 0.00 N ATOM 442 CA GLU A 32 -1.148 -1.616 -5.848 1.00 0.00 C ATOM 443 C GLU A 32 -0.535 -1.461 -4.459 1.00 0.00 C ATOM 444 O GLU A 32 0.361 -2.213 -4.076 1.00 0.00 O ATOM 445 CB GLU A 32 -0.967 -0.323 -6.645 1.00 0.00 C ATOM 446 CG GLU A 32 -1.153 -0.499 -8.143 1.00 0.00 C ATOM 447 CD GLU A 32 -0.274 -1.594 -8.715 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.893 -1.704 -8.285 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.754 -2.342 -9.593 1.00 0.00 O ATOM 0 H GLU A 32 -3.189 -1.298 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.634 -2.427 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.679 0.419 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.030 0.074 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.198 -0.731 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.929 0.442 -8.646 1.00 0.00 H new ATOM 456 N VAL A 33 -1.025 -0.478 -3.709 1.00 0.00 N ATOM 457 CA VAL A 33 -0.527 -0.223 -2.363 1.00 0.00 C ATOM 458 C VAL A 33 -0.325 -1.525 -1.596 1.00 0.00 C ATOM 459 O VAL A 33 0.674 -1.699 -0.898 1.00 0.00 O ATOM 460 CB VAL A 33 -1.488 0.683 -1.571 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.968 0.910 -0.160 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.689 2.006 -2.294 1.00 0.00 C ATOM 0 H VAL A 33 -1.766 0.154 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 33 0.432 0.284 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.454 0.184 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.660 1.552 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.881 -0.047 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.011 1.388 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.371 2.634 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.730 2.513 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.111 1.820 -3.282 1.00 0.00 H new ATOM 472 N VAL A 34 -1.281 -2.439 -1.730 1.00 0.00 N ATOM 473 CA VAL A 34 -1.208 -3.727 -1.051 1.00 0.00 C ATOM 474 C VAL A 34 -0.017 -4.541 -1.543 1.00 0.00 C ATOM 475 O VAL A 34 0.767 -5.057 -0.746 1.00 0.00 O ATOM 476 CB VAL A 34 -2.496 -4.545 -1.260 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.367 -5.918 -0.618 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.698 -3.798 -0.701 1.00 0.00 C ATOM 0 H VAL A 34 -2.115 -2.311 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.087 -3.518 0.012 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.648 -4.683 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.287 -6.481 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.531 -6.453 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.190 -5.804 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.599 -4.390 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.556 -3.627 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.800 -2.840 -1.211 1.00 0.00 H new ATOM 488 N ILE A 35 0.113 -4.652 -2.861 1.00 0.00 N ATOM 489 CA ILE A 35 1.210 -5.402 -3.459 1.00 0.00 C ATOM 490 C ILE A 35 2.560 -4.854 -3.010 1.00 0.00 C ATOM 491 O ILE A 35 3.374 -5.576 -2.434 1.00 0.00 O ATOM 492 CB ILE A 35 1.141 -5.370 -4.997 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.194 -5.939 -5.482 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.304 -6.147 -5.596 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.658 -5.354 -6.798 1.00 0.00 C ATOM 0 H ILE A 35 -0.528 -4.232 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 35 1.109 -6.433 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 35 1.214 -4.334 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.102 -7.020 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.955 -5.755 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.241 -6.115 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.245 -5.700 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.261 -7.183 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.610 -5.803 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.782 -4.276 -6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.084 -5.561 -7.570 1.00 0.00 H new ATOM 507 N ALA A 36 2.791 -3.573 -3.276 1.00 0.00 N ATOM 508 CA ALA A 36 4.041 -2.926 -2.896 1.00 0.00 C ATOM 509 C ALA A 36 4.536 -3.439 -1.548 1.00 0.00 C ATOM 510 O ALA A 36 5.696 -3.832 -1.410 1.00 0.00 O ATOM 511 CB ALA A 36 3.862 -1.416 -2.855 1.00 0.00 C ATOM 0 H ALA A 36 2.128 -2.962 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 36 4.792 -3.171 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.803 -0.946 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.561 -1.058 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.093 -1.160 -2.126 1.00 0.00 H new ATOM 517 N LEU A 37 3.652 -3.433 -0.557 1.00 0.00 N ATOM 518 CA LEU A 37 4.000 -3.898 0.781 1.00 0.00 C ATOM 519 C LEU A 37 4.433 -5.360 0.755 1.00 0.00 C ATOM 520 O LEU A 37 5.463 -5.724 1.322 1.00 0.00 O ATOM 521 CB LEU A 37 2.812 -3.723 1.729 1.00 0.00 C ATOM 522 CG LEU A 37 2.298 -2.293 1.903 1.00 0.00 C ATOM 523 CD1 LEU A 37 0.874 -2.300 2.437 1.00 0.00 C ATOM 524 CD2 LEU A 37 3.213 -1.507 2.830 1.00 0.00 C ATOM 0 H LEU A 37 2.689 -3.111 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 37 4.836 -3.297 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.990 -4.342 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.095 -4.108 2.709 1.00 0.00 H new ATOM 0 HG LEU A 37 2.297 -1.806 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.524 -1.274 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.225 -2.826 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.850 -2.804 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.832 -0.492 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.246 -1.992 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.217 -1.473 2.407 1.00 0.00 H new ATOM 536 N ALA A 38 3.640 -6.194 0.090 1.00 0.00 N ATOM 537 CA ALA A 38 3.944 -7.616 -0.014 1.00 0.00 C ATOM 538 C ALA A 38 5.312 -7.841 -0.649 1.00 0.00 C ATOM 539 O ALA A 38 6.176 -8.494 -0.066 1.00 0.00 O ATOM 540 CB ALA A 38 2.864 -8.329 -0.816 1.00 0.00 C ATOM 0 H ALA A 38 2.783 -5.910 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 38 3.968 -8.031 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.104 -9.390 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.901 -8.206 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.813 -7.902 -1.818 1.00 0.00 H new ATOM 546 N GLN A 39 5.500 -7.295 -1.846 1.00 0.00 N ATOM 547 CA GLN A 39 6.764 -7.438 -2.560 1.00 0.00 C ATOM 548 C GLN A 39 7.933 -6.978 -1.694 1.00 0.00 C ATOM 549 O GLN A 39 9.044 -7.494 -1.810 1.00 0.00 O ATOM 550 CB GLN A 39 6.732 -6.636 -3.862 1.00 0.00 C ATOM 551 CG GLN A 39 6.055 -7.367 -5.010 1.00 0.00 C ATOM 552 CD GLN A 39 5.800 -6.469 -6.204 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.687 -5.251 -6.066 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.707 -7.067 -7.386 1.00 0.00 N ATOM 0 H GLN A 39 4.794 -6.750 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 39 6.903 -8.493 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.213 -5.694 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.753 -6.388 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.678 -8.207 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.108 -7.782 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.807 -8.080 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.535 -6.514 -8.225 1.00 0.00 H new ATOM 563 N ALA A 40 7.674 -6.005 -0.828 1.00 0.00 N ATOM 564 CA ALA A 40 8.704 -5.477 0.058 1.00 0.00 C ATOM 565 C ALA A 40 9.036 -6.470 1.167 1.00 0.00 C ATOM 566 O ALA A 40 10.203 -6.774 1.412 1.00 0.00 O ATOM 567 CB ALA A 40 8.259 -4.149 0.652 1.00 0.00 C ATOM 0 H ALA A 40 6.760 -5.566 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 40 9.607 -5.315 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.038 -3.766 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.079 -3.434 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.341 -4.294 1.221 1.00 0.00 H new ATOM 573 N ILE A 41 8.002 -6.971 1.835 1.00 0.00 N ATOM 574 CA ILE A 41 8.185 -7.929 2.918 1.00 0.00 C ATOM 575 C ILE A 41 8.509 -9.317 2.375 1.00 0.00 C ATOM 576 O ILE A 41 8.799 -10.240 3.134 1.00 0.00 O ATOM 577 CB ILE A 41 6.932 -8.018 3.809 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.753 -8.581 3.013 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.588 -6.650 4.378 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.455 -8.602 3.789 1.00 0.00 C ATOM 0 H ILE A 41 7.029 -6.729 1.645 1.00 0.00 H new ATOM 0 HA ILE A 41 9.022 -7.571 3.518 1.00 0.00 H new ATOM 0 HB ILE A 41 7.142 -8.693 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.617 -7.986 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.992 -9.595 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.700 -6.730 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.423 -6.284 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.394 -5.955 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.663 -9.013 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.573 -9.221 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.192 -7.587 4.086 1.00 0.00 H new ATOM 592 N GLY A 42 8.459 -9.456 1.053 1.00 0.00 N ATOM 593 CA GLY A 42 8.751 -10.733 0.430 1.00 0.00 C ATOM 594 C GLY A 42 7.681 -11.771 0.706 1.00 0.00 C ATOM 595 O GLY A 42 7.880 -12.677 1.515 1.00 0.00 O ATOM 0 H GLY A 42 8.221 -8.707 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.849 -10.594 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.711 -11.100 0.793 1.00 0.00 H new ATOM 599 N ARG A 43 6.542 -11.638 0.035 1.00 0.00 N ATOM 600 CA ARG A 43 5.435 -12.570 0.214 1.00 0.00 C ATOM 601 C ARG A 43 4.449 -12.474 -0.946 1.00 0.00 C ATOM 602 O ARG A 43 4.164 -11.384 -1.445 1.00 0.00 O ATOM 603 CB ARG A 43 4.715 -12.291 1.534 1.00 0.00 C ATOM 604 CG ARG A 43 3.825 -13.433 1.996 1.00 0.00 C ATOM 605 CD ARG A 43 4.598 -14.438 2.835 1.00 0.00 C ATOM 606 NE ARG A 43 5.415 -15.325 2.012 1.00 0.00 N ATOM 607 CZ ARG A 43 6.321 -16.162 2.508 1.00 0.00 C ATOM 608 NH1 ARG A 43 6.523 -16.225 3.816 1.00 0.00 N ATOM 609 NH2 ARG A 43 7.025 -16.938 1.694 1.00 0.00 N ATOM 0 H ARG A 43 6.361 -10.893 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 43 5.844 -13.580 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.456 -12.084 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.110 -11.391 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.993 -13.035 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.396 -13.935 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.237 -13.906 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.899 -15.032 3.424 1.00 0.00 H new ATOM 0 HE ARG A 43 5.283 -15.301 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.983 -15.631 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.219 -16.868 4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.871 -16.893 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.720 -17.580 2.076 1.00 0.00 H new ATOM 623 N THR A 44 3.931 -13.621 -1.373 1.00 0.00 N ATOM 624 CA THR A 44 2.979 -13.667 -2.475 1.00 0.00 C ATOM 625 C THR A 44 1.573 -13.976 -1.974 1.00 0.00 C ATOM 626 O THR A 44 1.281 -15.100 -1.568 1.00 0.00 O ATOM 627 CB THR A 44 3.382 -14.722 -3.522 1.00 0.00 C ATOM 628 OG1 THR A 44 4.793 -14.663 -3.760 1.00 0.00 O ATOM 629 CG2 THR A 44 2.633 -14.503 -4.828 1.00 0.00 C ATOM 0 H THR A 44 4.155 -14.532 -0.972 1.00 0.00 H new ATOM 0 HA THR A 44 2.987 -12.682 -2.941 1.00 0.00 H new ATOM 0 HB THR A 44 3.121 -15.706 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.041 -15.338 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.934 -15.260 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.560 -14.578 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.867 -13.513 -5.220 1.00 0.00 H new ATOM 637 N GLY A 45 0.703 -12.970 -2.007 1.00 0.00 N ATOM 638 CA GLY A 45 -0.663 -13.156 -1.554 1.00 0.00 C ATOM 639 C GLY A 45 -1.475 -11.878 -1.624 1.00 0.00 C ATOM 640 O GLY A 45 -0.933 -10.781 -1.488 1.00 0.00 O ATOM 0 H GLY A 45 0.920 -12.030 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.143 -13.922 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.656 -13.523 -0.528 1.00 0.00 H new ATOM 644 N ARG A 46 -2.779 -12.019 -1.840 1.00 0.00 N ATOM 645 CA ARG A 46 -3.667 -10.866 -1.931 1.00 0.00 C ATOM 646 C ARG A 46 -4.192 -10.474 -0.553 1.00 0.00 C ATOM 647 O ARG A 46 -4.808 -11.283 0.142 1.00 0.00 O ATOM 648 CB ARG A 46 -4.839 -11.171 -2.866 1.00 0.00 C ATOM 649 CG ARG A 46 -4.426 -11.360 -4.317 1.00 0.00 C ATOM 650 CD ARG A 46 -3.895 -12.763 -4.567 1.00 0.00 C ATOM 651 NE ARG A 46 -3.360 -12.913 -5.918 1.00 0.00 N ATOM 652 CZ ARG A 46 -2.931 -14.068 -6.414 1.00 0.00 C ATOM 653 NH1 ARG A 46 -2.974 -15.168 -5.675 1.00 0.00 N ATOM 654 NH2 ARG A 46 -2.457 -14.124 -7.652 1.00 0.00 N ATOM 0 H ARG A 46 -3.244 -12.920 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.096 -10.030 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.344 -12.073 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.562 -10.358 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.281 -11.172 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.661 -10.629 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.115 -12.990 -3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.695 -13.487 -4.412 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.313 -12.086 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.337 -15.129 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.644 -16.053 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.422 -13.280 -8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.128 -15.011 -8.032 1.00 0.00 H new ATOM 668 N TYR A 47 -3.943 -9.228 -0.164 1.00 0.00 N ATOM 669 CA TYR A 47 -4.388 -8.729 1.132 1.00 0.00 C ATOM 670 C TYR A 47 -5.480 -7.677 0.966 1.00 0.00 C ATOM 671 O TYR A 47 -5.651 -7.107 -0.112 1.00 0.00 O ATOM 672 CB TYR A 47 -3.209 -8.138 1.906 1.00 0.00 C ATOM 673 CG TYR A 47 -2.070 -9.112 2.113 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.335 -9.589 1.035 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.730 -9.553 3.386 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.295 -10.480 1.219 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.690 -10.442 3.579 1.00 0.00 C ATOM 678 CZ TYR A 47 0.024 -10.903 2.493 1.00 0.00 C ATOM 679 OH TYR A 47 1.060 -11.788 2.681 1.00 0.00 O ATOM 0 H TYR A 47 -3.436 -8.546 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.800 -9.568 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.836 -7.264 1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.560 -7.791 2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.580 -9.258 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.288 -9.195 4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.265 -10.843 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.438 -10.774 4.575 1.00 0.00 H new ATOM 0 HH TYR A 47 1.154 -11.983 3.637 1.00 0.00 H new ATOM 689 N THR A 48 -6.218 -7.424 2.042 1.00 0.00 N ATOM 690 CA THR A 48 -7.295 -6.442 2.017 1.00 0.00 C ATOM 691 C THR A 48 -6.967 -5.245 2.903 1.00 0.00 C ATOM 692 O THR A 48 -6.322 -5.387 3.942 1.00 0.00 O ATOM 693 CB THR A 48 -8.629 -7.058 2.478 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.144 -7.926 1.463 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.647 -5.973 2.790 1.00 0.00 C ATOM 0 H THR A 48 -6.089 -7.886 2.942 1.00 0.00 H new ATOM 0 HA THR A 48 -7.396 -6.110 0.984 1.00 0.00 H new ATOM 0 HB THR A 48 -8.444 -7.632 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.991 -8.315 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.581 -6.433 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.264 -5.332 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.827 -5.375 1.896 1.00 0.00 H new ATOM 703 N LEU A 49 -7.416 -4.066 2.486 1.00 0.00 N ATOM 704 CA LEU A 49 -7.172 -2.844 3.243 1.00 0.00 C ATOM 705 C LEU A 49 -8.380 -2.485 4.103 1.00 0.00 C ATOM 706 O LEU A 49 -9.483 -2.293 3.592 1.00 0.00 O ATOM 707 CB LEU A 49 -6.847 -1.689 2.294 1.00 0.00 C ATOM 708 CG LEU A 49 -5.443 -1.694 1.687 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.435 -0.958 0.356 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.444 -1.070 2.650 1.00 0.00 C ATOM 0 H LEU A 49 -7.951 -3.931 1.628 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.320 -3.018 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.573 -1.698 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.985 -0.752 2.834 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.148 -2.728 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.428 -0.972 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.121 -1.448 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.750 0.074 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.450 -1.082 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.735 -0.041 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.430 -1.640 3.579 1.00 0.00 H new ATOM 722 N ILE A 50 -8.162 -2.395 5.411 1.00 0.00 N ATOM 723 CA ILE A 50 -9.232 -2.056 6.341 1.00 0.00 C ATOM 724 C ILE A 50 -8.895 -0.795 7.130 1.00 0.00 C ATOM 725 O ILE A 50 -7.800 -0.666 7.674 1.00 0.00 O ATOM 726 CB ILE A 50 -9.506 -3.207 7.327 1.00 0.00 C ATOM 727 CG1 ILE A 50 -10.055 -4.425 6.583 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.477 -2.757 8.408 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.792 -5.735 7.291 1.00 0.00 C ATOM 0 H ILE A 50 -7.255 -2.552 5.850 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.126 -1.880 5.743 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.567 -3.490 7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.130 -4.304 6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.611 -4.463 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.661 -3.581 9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.050 -1.916 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.417 -2.451 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.209 -6.555 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.717 -5.879 7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.260 -5.717 8.275 1.00 0.00 H new ATOM 741 N GLU A 51 -9.847 0.132 7.188 1.00 0.00 N ATOM 742 CA GLU A 51 -9.651 1.383 7.911 1.00 0.00 C ATOM 743 C GLU A 51 -10.376 1.354 9.254 1.00 0.00 C ATOM 744 O GLU A 51 -11.605 1.396 9.309 1.00 0.00 O ATOM 745 CB GLU A 51 -10.148 2.564 7.076 1.00 0.00 C ATOM 746 CG GLU A 51 -9.215 2.940 5.937 1.00 0.00 C ATOM 747 CD GLU A 51 -7.978 3.676 6.415 1.00 0.00 C ATOM 748 OE1 GLU A 51 -7.459 3.326 7.495 1.00 0.00 O ATOM 749 OE2 GLU A 51 -7.530 4.603 5.707 1.00 0.00 O ATOM 0 H GLU A 51 -10.760 0.040 6.743 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.584 1.503 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.128 2.321 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.280 3.428 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.914 2.037 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.752 3.565 5.224 1.00 0.00 H new ATOM 756 N LYS A 52 -9.606 1.282 10.334 1.00 0.00 N ATOM 757 CA LYS A 52 -10.173 1.248 11.677 1.00 0.00 C ATOM 758 C LYS A 52 -10.132 2.631 12.320 1.00 0.00 C ATOM 759 O LYS A 52 -9.061 3.142 12.646 1.00 0.00 O ATOM 760 CB LYS A 52 -9.412 0.246 12.549 1.00 0.00 C ATOM 761 CG LYS A 52 -9.813 0.287 14.013 1.00 0.00 C ATOM 762 CD LYS A 52 -9.291 -0.924 14.768 1.00 0.00 C ATOM 763 CE LYS A 52 -10.071 -1.160 16.052 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.348 -2.072 16.981 1.00 0.00 N ATOM 0 H LYS A 52 -8.587 1.246 10.306 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.214 0.934 11.597 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.580 -0.760 12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.343 0.445 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.427 1.197 14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.899 0.326 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.359 -1.807 14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.236 -0.781 15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.252 -0.206 16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.046 -1.585 15.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.913 -2.207 17.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.197 -2.991 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.428 -1.655 17.231 1.00 0.00 H new ATOM 778 N TRP A 53 -11.304 3.229 12.499 1.00 0.00 N ATOM 779 CA TRP A 53 -11.401 4.552 13.105 1.00 0.00 C ATOM 780 C TRP A 53 -12.676 4.681 13.931 1.00 0.00 C ATOM 781 O TRP A 53 -13.712 4.114 13.582 1.00 0.00 O ATOM 782 CB TRP A 53 -11.369 5.634 12.024 1.00 0.00 C ATOM 783 CG TRP A 53 -11.545 7.020 12.565 1.00 0.00 C ATOM 784 CD1 TRP A 53 -10.623 7.754 13.255 1.00 0.00 C ATOM 785 CD2 TRP A 53 -12.716 7.838 12.462 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.150 8.979 13.588 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.432 9.055 13.112 1.00 0.00 C ATOM 788 CE3 TRP A 53 -13.975 7.661 11.883 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.363 10.087 13.198 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -14.898 8.686 11.970 1.00 0.00 C ATOM 791 CH2 TRP A 53 -14.588 9.887 12.623 1.00 0.00 C ATOM 0 H TRP A 53 -12.200 2.819 12.234 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.546 4.684 13.768 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.420 5.577 11.492 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.155 5.433 11.296 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.626 7.421 13.503 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.665 9.712 14.105 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.223 6.740 11.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.126 11.013 13.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -15.875 8.559 11.527 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.331 10.670 12.673 1.00 0.00 H new ATOM 802 N ARG A 54 -12.594 5.429 15.026 1.00 0.00 N ATOM 803 CA ARG A 54 -13.742 5.630 15.902 1.00 0.00 C ATOM 804 C ARG A 54 -14.405 4.298 16.244 1.00 0.00 C ATOM 805 O ARG A 54 -15.593 4.249 16.562 1.00 0.00 O ATOM 806 CB ARG A 54 -14.758 6.562 15.240 1.00 0.00 C ATOM 807 CG ARG A 54 -15.537 5.910 14.109 1.00 0.00 C ATOM 808 CD ARG A 54 -16.856 6.624 13.858 1.00 0.00 C ATOM 809 NE ARG A 54 -17.769 6.503 14.991 1.00 0.00 N ATOM 810 CZ ARG A 54 -19.040 6.888 14.955 1.00 0.00 C ATOM 811 NH1 ARG A 54 -19.545 7.417 13.849 1.00 0.00 N ATOM 812 NH2 ARG A 54 -19.808 6.745 16.028 1.00 0.00 N ATOM 0 H ARG A 54 -11.744 5.906 15.328 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.387 6.087 16.826 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.459 6.916 15.996 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.237 7.438 14.853 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.937 5.921 13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.728 4.865 14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.665 7.678 13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.328 6.211 12.967 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.411 6.101 15.858 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.957 7.529 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.521 7.712 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.422 6.339 16.881 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.784 7.041 16.000 1.00 0.00 H new ATOM 826 N ASP A 55 -13.629 3.223 16.176 1.00 0.00 N ATOM 827 CA ASP A 55 -14.140 1.891 16.479 1.00 0.00 C ATOM 828 C ASP A 55 -15.042 1.387 15.357 1.00 0.00 C ATOM 829 O ASP A 55 -15.998 0.649 15.598 1.00 0.00 O ATOM 830 CB ASP A 55 -14.908 1.905 17.801 1.00 0.00 C ATOM 831 CG ASP A 55 -14.247 2.782 18.846 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.060 2.548 19.152 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.918 3.703 19.358 1.00 0.00 O ATOM 0 H ASP A 55 -12.644 3.247 15.914 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.290 1.214 16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.924 2.259 17.624 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.987 0.887 18.183 1.00 0.00 H new ATOM 838 N THR A 56 -14.732 1.791 14.128 1.00 0.00 N ATOM 839 CA THR A 56 -15.516 1.383 12.969 1.00 0.00 C ATOM 840 C THR A 56 -14.614 0.916 11.833 1.00 0.00 C ATOM 841 O THR A 56 -13.988 1.728 11.152 1.00 0.00 O ATOM 842 CB THR A 56 -16.409 2.531 12.463 1.00 0.00 C ATOM 843 OG1 THR A 56 -17.409 2.841 13.439 1.00 0.00 O ATOM 844 CG2 THR A 56 -17.076 2.157 11.147 1.00 0.00 C ATOM 0 H THR A 56 -13.943 2.400 13.910 1.00 0.00 H new ATOM 0 HA THR A 56 -16.149 0.556 13.290 1.00 0.00 H new ATOM 0 HB THR A 56 -15.780 3.406 12.298 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.971 3.573 13.110 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.702 2.983 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.312 1.950 10.398 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.693 1.270 11.291 1.00 0.00 H new ATOM 852 N GLU A 57 -14.553 -0.397 11.633 1.00 0.00 N ATOM 853 CA GLU A 57 -13.726 -0.971 10.577 1.00 0.00 C ATOM 854 C GLU A 57 -14.587 -1.444 9.409 1.00 0.00 C ATOM 855 O GLU A 57 -15.706 -1.921 9.602 1.00 0.00 O ATOM 856 CB GLU A 57 -12.901 -2.137 11.123 1.00 0.00 C ATOM 857 CG GLU A 57 -13.744 -3.290 11.641 1.00 0.00 C ATOM 858 CD GLU A 57 -14.147 -4.257 10.545 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.322 -4.507 9.642 1.00 0.00 O ATOM 860 OE2 GLU A 57 -15.288 -4.763 10.590 1.00 0.00 O ATOM 0 H GLU A 57 -15.066 -1.083 12.187 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.050 -0.195 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.242 -2.505 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.263 -1.774 11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.186 -3.828 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.640 -2.894 12.118 1.00 0.00 H new ATOM 867 N ARG A 58 -14.056 -1.309 8.198 1.00 0.00 N ATOM 868 CA ARG A 58 -14.775 -1.721 6.999 1.00 0.00 C ATOM 869 C ARG A 58 -13.808 -2.225 5.931 1.00 0.00 C ATOM 870 O ARG A 58 -12.628 -1.874 5.933 1.00 0.00 O ATOM 871 CB ARG A 58 -15.600 -0.557 6.447 1.00 0.00 C ATOM 872 CG ARG A 58 -16.457 -0.931 5.249 1.00 0.00 C ATOM 873 CD ARG A 58 -17.461 0.163 4.919 1.00 0.00 C ATOM 874 NE ARG A 58 -18.484 0.296 5.952 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.287 1.349 6.059 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.186 2.354 5.201 1.00 0.00 N ATOM 877 NH2 ARG A 58 -20.195 1.396 7.027 1.00 0.00 N ATOM 0 H ARG A 58 -13.131 -0.918 8.022 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.446 -2.536 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.244 -0.172 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.927 0.252 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.817 -1.112 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.986 -1.862 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.938 1.112 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.937 -0.058 3.964 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.588 -0.461 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.490 2.320 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.804 3.161 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.276 0.624 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.811 2.204 7.109 1.00 0.00 H new ATOM 891 N HIS A 59 -14.317 -3.049 5.021 1.00 0.00 N ATOM 892 CA HIS A 59 -13.499 -3.601 3.947 1.00 0.00 C ATOM 893 C HIS A 59 -13.566 -2.719 2.704 1.00 0.00 C ATOM 894 O HIS A 59 -14.616 -2.163 2.381 1.00 0.00 O ATOM 895 CB HIS A 59 -13.957 -5.019 3.605 1.00 0.00 C ATOM 896 CG HIS A 59 -13.578 -6.036 4.637 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.763 -7.115 4.367 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.905 -6.133 5.947 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.607 -7.833 5.465 1.00 0.00 C ATOM 900 NE2 HIS A 59 -13.290 -7.258 6.439 1.00 0.00 N ATOM 0 H HIS A 59 -15.292 -3.349 5.006 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.466 -3.634 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.040 -5.023 3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.528 -5.309 2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.533 -5.452 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.021 -8.736 5.552 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.351 -7.595 7.400 1.00 0.00 H new ATOM 909 N LEU A 60 -12.439 -2.594 2.012 1.00 0.00 N ATOM 910 CA LEU A 60 -12.369 -1.778 0.804 1.00 0.00 C ATOM 911 C LEU A 60 -12.182 -2.651 -0.433 1.00 0.00 C ATOM 912 O LEU A 60 -11.978 -3.860 -0.326 1.00 0.00 O ATOM 913 CB LEU A 60 -11.223 -0.772 0.910 1.00 0.00 C ATOM 914 CG LEU A 60 -11.385 0.322 1.967 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.065 1.042 2.197 1.00 0.00 C ATOM 916 CD2 LEU A 60 -12.467 1.308 1.552 1.00 0.00 C ATOM 0 H LEU A 60 -11.561 -3.047 2.266 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.310 -1.238 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.304 -1.319 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.094 -0.295 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.688 -0.146 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.200 1.817 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.316 0.328 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.732 1.498 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.569 2.079 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.194 1.770 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.415 0.782 1.439 1.00 0.00 H new ATOM 928 N ALA A 61 -12.252 -2.029 -1.605 1.00 0.00 N ATOM 929 CA ALA A 61 -12.086 -2.749 -2.862 1.00 0.00 C ATOM 930 C ALA A 61 -10.714 -2.479 -3.472 1.00 0.00 C ATOM 931 O ALA A 61 -10.064 -1.476 -3.179 1.00 0.00 O ATOM 932 CB ALA A 61 -13.185 -2.363 -3.840 1.00 0.00 C ATOM 0 H ALA A 61 -12.422 -1.029 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.159 -3.816 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.049 -2.908 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.156 -2.612 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.139 -1.292 -4.035 1.00 0.00 H new ATOM 938 N PRO A 62 -10.262 -3.396 -4.340 1.00 0.00 N ATOM 939 CA PRO A 62 -8.962 -3.279 -5.009 1.00 0.00 C ATOM 940 C PRO A 62 -8.938 -2.152 -6.035 1.00 0.00 C ATOM 941 O PRO A 62 -7.872 -1.658 -6.406 1.00 0.00 O ATOM 942 CB PRO A 62 -8.796 -4.635 -5.700 1.00 0.00 C ATOM 943 CG PRO A 62 -10.186 -5.129 -5.904 1.00 0.00 C ATOM 944 CD PRO A 62 -10.983 -4.617 -4.737 1.00 0.00 C ATOM 0 HA PRO A 62 -8.162 -3.042 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.269 -4.534 -6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.217 -5.324 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.595 -4.764 -6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.211 -6.218 -5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.014 -4.401 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.019 -5.344 -3.926 1.00 0.00 H new ATOM 952 N HIS A 63 -10.120 -1.747 -6.492 1.00 0.00 N ATOM 953 CA HIS A 63 -10.233 -0.676 -7.475 1.00 0.00 C ATOM 954 C HIS A 63 -10.199 0.690 -6.798 1.00 0.00 C ATOM 955 O HIS A 63 -9.666 1.652 -7.348 1.00 0.00 O ATOM 956 CB HIS A 63 -11.526 -0.828 -8.278 1.00 0.00 C ATOM 957 CG HIS A 63 -12.739 -1.037 -7.425 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.396 -0.008 -6.785 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.416 -2.167 -7.111 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.423 -0.495 -6.111 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.458 -1.803 -6.293 1.00 0.00 N ATOM 0 H HIS A 63 -11.012 -2.145 -6.197 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.382 -0.747 -8.152 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.671 0.062 -8.890 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.423 -1.671 -8.961 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.181 -3.168 -7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.116 0.079 -5.513 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.147 -2.439 -5.891 1.00 0.00 H new ATOM 970 N GLU A 64 -10.771 0.766 -5.600 1.00 0.00 N ATOM 971 CA GLU A 64 -10.806 2.015 -4.849 1.00 0.00 C ATOM 972 C GLU A 64 -9.394 2.507 -4.545 1.00 0.00 C ATOM 973 O GLU A 64 -8.410 1.861 -4.903 1.00 0.00 O ATOM 974 CB GLU A 64 -11.585 1.830 -3.545 1.00 0.00 C ATOM 975 CG GLU A 64 -13.034 1.424 -3.754 1.00 0.00 C ATOM 976 CD GLU A 64 -13.859 1.528 -2.486 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.595 0.752 -1.543 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.767 2.383 -2.436 1.00 0.00 O ATOM 0 H GLU A 64 -11.216 -0.022 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.309 2.763 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.088 1.072 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.555 2.761 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.477 2.056 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.070 0.399 -4.123 1.00 0.00 H new ATOM 985 N ASN A 65 -9.304 3.656 -3.882 1.00 0.00 N ATOM 986 CA ASN A 65 -8.013 4.236 -3.531 1.00 0.00 C ATOM 987 C ASN A 65 -7.928 4.506 -2.032 1.00 0.00 C ATOM 988 O ASN A 65 -8.900 4.907 -1.392 1.00 0.00 O ATOM 989 CB ASN A 65 -7.785 5.534 -4.308 1.00 0.00 C ATOM 990 CG ASN A 65 -8.116 5.392 -5.781 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.400 4.725 -6.528 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.206 6.020 -6.205 1.00 0.00 N ATOM 0 H ASN A 65 -10.109 4.203 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.236 3.520 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.397 6.325 -3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.745 5.841 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.480 5.961 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.770 6.562 -5.550 1.00 0.00 H new ATOM 999 N PRO A 66 -6.737 4.282 -1.457 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.496 4.496 -0.027 1.00 0.00 C ATOM 1001 C PRO A 66 -6.509 5.973 0.349 1.00 0.00 C ATOM 1002 O PRO A 66 -7.201 6.379 1.284 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.102 3.902 0.191 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.441 3.988 -1.142 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.534 3.804 -2.158 1.00 0.00 C ATOM 0 HA PRO A 66 -7.271 4.039 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.547 4.461 0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.161 2.870 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.946 4.951 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.676 3.219 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.342 4.379 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.632 2.761 -2.458 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.742 6.773 -0.384 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.668 8.206 -0.128 1.00 0.00 C ATOM 1015 C ILE A 67 -7.031 8.867 -0.305 1.00 0.00 C ATOM 1016 O ILE A 67 -7.449 9.680 0.520 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.652 8.892 -1.059 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.250 8.323 -0.829 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.661 10.397 -0.835 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.159 9.101 -1.530 1.00 0.00 C ATOM 0 H ILE A 67 -5.163 6.453 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.340 8.326 0.905 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.938 8.695 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.044 8.308 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.226 7.289 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.938 10.868 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.656 10.790 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.396 10.612 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.193 8.641 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.341 9.094 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.156 10.129 -1.169 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.718 8.512 -1.385 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.035 9.069 -1.669 1.00 0.00 C ATOM 1034 C ILE A 68 -10.037 8.693 -0.583 1.00 0.00 C ATOM 1035 O ILE A 68 -10.866 9.508 -0.179 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.568 8.589 -3.032 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.524 8.829 -4.125 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -10.871 9.297 -3.371 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.371 10.285 -4.504 1.00 0.00 C ATOM 0 H ILE A 68 -7.385 7.841 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.920 10.153 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.765 7.519 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.561 8.447 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.800 8.258 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.235 8.947 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.614 9.080 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.700 10.373 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.615 10.381 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.323 10.667 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.065 10.858 -3.629 1.00 0.00 H new ATOM 1051 N SER A 69 -9.953 7.452 -0.113 1.00 0.00 N ATOM 1052 CA SER A 69 -10.854 6.966 0.926 1.00 0.00 C ATOM 1053 C SER A 69 -10.647 7.734 2.227 1.00 0.00 C ATOM 1054 O SER A 69 -11.571 7.881 3.029 1.00 0.00 O ATOM 1055 CB SER A 69 -10.634 5.471 1.162 1.00 0.00 C ATOM 1056 OG SER A 69 -11.422 4.693 0.278 1.00 0.00 O ATOM 0 H SER A 69 -9.271 6.765 -0.435 1.00 0.00 H new ATOM 0 HA SER A 69 -11.878 7.127 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.580 5.229 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.885 5.222 2.193 1.00 0.00 H new ATOM 0 HG SER A 69 -10.914 4.513 -0.541 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.429 8.223 2.431 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.098 8.977 3.635 1.00 0.00 C ATOM 1064 C LEU A 70 -9.512 10.438 3.493 1.00 0.00 C ATOM 1065 O LEU A 70 -10.054 11.033 4.424 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.599 8.885 3.923 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.131 7.626 4.653 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.618 7.493 4.573 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.590 7.649 6.104 1.00 0.00 C ATOM 0 H LEU A 70 -8.654 8.111 1.778 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.648 8.542 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.063 8.952 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.309 9.753 4.515 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.577 6.760 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.304 6.591 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.313 7.429 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.151 8.363 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.248 6.745 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.173 8.523 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.678 7.695 6.141 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.253 11.010 2.322 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.600 12.402 2.057 1.00 0.00 C ATOM 1083 C ASN A 71 -10.995 12.725 2.586 1.00 0.00 C ATOM 1084 O ASN A 71 -11.233 13.809 3.119 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.532 12.690 0.556 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.119 12.970 0.085 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.265 13.395 0.863 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.865 12.732 -1.197 1.00 0.00 N ATOM 0 H ASN A 71 -8.804 10.531 1.541 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.879 13.035 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.933 11.838 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.166 13.546 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.932 12.901 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.603 12.380 -1.806 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.913 11.776 2.435 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.283 11.957 2.898 1.00 0.00 C ATOM 1097 C LYS A 72 -13.311 12.614 4.274 1.00 0.00 C ATOM 1098 O LYS A 72 -13.925 13.665 4.458 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.007 10.609 2.951 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.262 10.002 1.582 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.942 8.647 1.691 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.087 7.985 0.329 1.00 0.00 C ATOM 1103 NZ LYS A 72 -16.160 8.622 -0.484 1.00 0.00 N ATOM 0 H LYS A 72 -11.732 10.874 1.995 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.795 12.611 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.416 9.911 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.959 10.737 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.885 10.676 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.317 9.894 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.364 8.001 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.926 8.768 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.140 8.046 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.311 6.927 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.228 8.143 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.068 8.542 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.934 9.626 -0.632 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.640 11.991 5.236 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.587 12.517 6.595 1.00 0.00 C ATOM 1119 C TRP A 73 -11.996 13.923 6.612 1.00 0.00 C ATOM 1120 O TRP A 73 -12.511 14.815 7.283 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.760 11.593 7.490 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.116 10.145 7.338 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.371 9.177 6.726 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.307 9.502 7.805 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.027 7.972 6.784 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.217 8.143 7.441 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.440 9.940 8.495 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.217 7.224 7.745 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.432 9.026 8.796 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.315 7.681 8.422 1.00 0.00 C ATOM 0 H TRP A 73 -12.125 11.121 5.100 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.606 12.566 6.978 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.703 11.726 7.260 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.899 11.887 8.530 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.408 9.336 6.264 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.684 7.092 6.400 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.539 10.975 8.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.130 6.187 7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.312 9.354 9.329 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.107 6.991 8.673 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.910 14.113 5.868 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.268 15.413 5.811 1.00 0.00 C ATOM 1143 C GLY A 74 -9.683 15.829 7.147 1.00 0.00 C ATOM 1144 O GLY A 74 -8.481 15.693 7.374 1.00 0.00 O ATOM 0 H GLY A 74 -10.464 13.390 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.476 15.392 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.993 16.159 5.487 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.535 16.338 8.031 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.095 16.777 9.350 1.00 0.00 C ATOM 1150 C GLN A 75 -9.780 15.583 10.244 1.00 0.00 C ATOM 1151 O GLN A 75 -8.771 15.572 10.949 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.167 17.651 10.003 1.00 0.00 C ATOM 1153 CG GLN A 75 -10.876 17.984 11.458 1.00 0.00 C ATOM 1154 CD GLN A 75 -10.038 19.238 11.613 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -8.820 19.210 11.439 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -10.689 20.348 11.943 1.00 0.00 N ATOM 0 H GLN A 75 -11.533 16.457 7.858 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.185 17.364 9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.262 18.579 9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.128 17.140 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.817 18.112 11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.357 17.145 11.922 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.700 20.326 12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.178 21.223 12.062 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.650 14.580 10.211 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.466 13.381 11.021 1.00 0.00 C ATOM 1167 C TYR A 76 -9.955 12.222 10.171 1.00 0.00 C ATOM 1168 O TYR A 76 -10.385 11.081 10.335 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.781 12.991 11.697 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.089 13.801 12.937 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.514 13.479 14.160 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.954 14.886 12.885 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -11.792 14.216 15.296 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.237 15.629 14.014 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.654 15.290 15.217 1.00 0.00 C ATOM 1176 OH TYR A 76 -12.934 16.027 16.345 1.00 0.00 O ATOM 0 H TYR A 76 -11.490 14.573 9.632 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.722 13.601 11.787 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.596 13.111 10.983 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.743 11.935 11.963 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.838 12.639 14.224 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.414 15.153 11.945 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.337 13.953 16.239 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.911 16.471 13.955 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.557 16.748 16.118 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.033 12.525 9.263 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.459 11.509 8.389 1.00 0.00 C ATOM 1188 C ALA A 77 -7.259 10.834 9.044 1.00 0.00 C ATOM 1189 O ALA A 77 -7.188 9.608 9.118 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.059 12.125 7.056 1.00 0.00 C ATOM 0 H ALA A 77 -8.668 13.466 9.113 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.218 10.747 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.632 11.355 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.938 12.553 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.320 12.908 7.224 1.00 0.00 H new ATOM 1196 N SER A 78 -6.317 11.643 9.518 1.00 0.00 N ATOM 1197 CA SER A 78 -5.117 11.124 10.163 1.00 0.00 C ATOM 1198 C SER A 78 -5.478 10.106 11.241 1.00 0.00 C ATOM 1199 O SER A 78 -4.926 9.006 11.281 1.00 0.00 O ATOM 1200 CB SER A 78 -4.306 12.267 10.776 1.00 0.00 C ATOM 1201 OG SER A 78 -3.672 13.039 9.771 1.00 0.00 O ATOM 0 H SER A 78 -6.362 12.661 9.467 1.00 0.00 H new ATOM 0 HA SER A 78 -4.513 10.626 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.961 12.905 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.556 11.861 11.455 1.00 0.00 H new ATOM 0 HG SER A 78 -3.162 13.764 10.189 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.406 10.481 12.114 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.842 9.602 13.192 1.00 0.00 C ATOM 1209 C ASP A 79 -7.110 8.193 12.671 1.00 0.00 C ATOM 1210 O ASP A 79 -6.989 7.214 13.407 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.102 10.161 13.857 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.784 11.161 14.951 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.655 11.119 15.484 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.664 11.986 15.273 1.00 0.00 O ATOM 0 H ASP A 79 -6.871 11.389 12.096 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.042 9.551 13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.726 10.639 13.102 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.683 9.340 14.277 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.475 8.099 11.396 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.759 6.811 10.775 1.00 0.00 C ATOM 1221 C VAL A 80 -6.476 6.027 10.523 1.00 0.00 C ATOM 1222 O VAL A 80 -5.494 6.572 10.021 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.512 6.984 9.443 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.940 5.632 8.892 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.714 7.898 9.626 1.00 0.00 C ATOM 0 H VAL A 80 -7.581 8.900 10.773 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.389 6.257 11.471 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.838 7.447 8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.471 5.774 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.059 5.013 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.597 5.139 9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.235 8.009 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.391 7.465 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.378 8.875 9.972 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.493 4.746 10.875 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.330 3.887 10.687 1.00 0.00 C ATOM 1237 C GLN A 81 -5.648 2.742 9.731 1.00 0.00 C ATOM 1238 O GLN A 81 -6.741 2.175 9.766 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.859 3.329 12.031 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.226 4.374 12.935 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.697 3.784 14.228 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -4.152 2.731 14.675 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.730 4.460 14.836 1.00 0.00 N ATOM 0 H GLN A 81 -7.299 4.280 11.292 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.532 4.489 10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.708 2.881 12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.138 2.531 11.851 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.410 4.863 12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.963 5.143 13.166 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.382 5.329 14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.335 4.111 15.709 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.687 2.407 8.877 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.864 1.329 7.909 1.00 0.00 C ATOM 1254 C LEU A 82 -4.255 0.029 8.425 1.00 0.00 C ATOM 1255 O LEU A 82 -3.276 0.044 9.172 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.228 1.708 6.571 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.054 2.627 5.671 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.149 3.413 4.735 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.073 1.821 4.878 1.00 0.00 C ATOM 0 H LEU A 82 -3.777 2.866 8.835 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.933 1.176 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.272 2.192 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.013 0.792 6.021 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.591 3.335 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.755 4.061 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.459 4.020 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.584 2.722 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.652 2.491 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.555 1.090 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.742 1.304 5.565 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.840 -1.093 8.021 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.353 -2.402 8.439 1.00 0.00 C ATOM 1273 C ILE A 83 -4.433 -3.409 7.298 1.00 0.00 C ATOM 1274 O ILE A 83 -5.478 -3.562 6.662 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.149 -2.941 9.642 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.022 -1.989 10.833 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.665 -4.334 10.017 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.089 -0.916 10.866 1.00 0.00 C ATOM 0 H ILE A 83 -5.652 -1.122 7.405 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.311 -2.272 8.732 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.201 -3.006 9.363 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.070 -2.567 11.756 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.041 -1.514 10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.237 -4.701 10.869 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.802 -5.007 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.608 -4.293 10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.937 -0.278 11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.027 -0.314 9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.072 -1.382 10.925 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.325 -4.097 7.043 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.270 -5.093 5.979 1.00 0.00 C ATOM 1292 C LEU A 84 -3.729 -6.456 6.485 1.00 0.00 C ATOM 1293 O LEU A 84 -2.980 -7.163 7.159 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.850 -5.194 5.422 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.731 -5.634 3.962 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.340 -4.590 3.039 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.275 -5.886 3.597 1.00 0.00 C ATOM 0 H LEU A 84 -2.453 -3.983 7.559 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.944 -4.776 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.370 -4.221 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.288 -5.895 6.039 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.282 -6.566 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.246 -4.920 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.394 -4.458 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.817 -3.642 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.210 -6.198 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.299 -4.970 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.130 -6.670 4.237 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.964 -6.820 6.154 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.522 -8.100 6.574 1.00 0.00 C ATOM 1311 C ARG A 85 -5.776 -9.003 5.371 1.00 0.00 C ATOM 1312 O ARG A 85 -6.511 -8.639 4.453 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.825 -7.883 7.346 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.207 -9.055 8.235 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.150 -8.625 9.349 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.426 -8.172 10.534 1.00 0.00 N ATOM 1317 CZ ARG A 85 -6.625 -8.953 11.249 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -6.445 -10.220 10.901 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -6.001 -8.468 12.315 1.00 0.00 N ATOM 0 H ARG A 85 -5.597 -6.247 5.596 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.797 -8.588 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.729 -6.988 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.632 -7.698 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.682 -9.830 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.308 -9.494 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.794 -7.823 8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.799 -9.459 9.617 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.542 -7.202 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.922 -10.597 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.829 -10.818 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.136 -7.494 12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.386 -9.069 12.863 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.162 -10.182 5.383 1.00 0.00 N ATOM 1334 CA ARG A 86 -5.321 -11.137 4.292 1.00 0.00 C ATOM 1335 C ARG A 86 -6.689 -11.810 4.353 1.00 0.00 C ATOM 1336 O ARG A 86 -6.984 -12.560 5.284 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.217 -12.195 4.348 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.983 -12.758 5.741 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.066 -13.970 5.705 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.649 -15.076 4.949 1.00 0.00 N ATOM 1341 CZ ARG A 86 -2.960 -16.142 4.557 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -1.671 -16.246 4.847 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -3.562 -17.107 3.872 1.00 0.00 N ATOM 0 H ARG A 86 -4.550 -10.499 6.135 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.246 -10.592 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.474 -13.012 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.288 -11.759 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.546 -11.988 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.938 -13.036 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.112 -13.689 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.858 -14.297 6.724 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.639 -15.027 4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.205 -15.506 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.145 -17.066 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.554 -17.030 3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.033 -17.925 3.571 1.00 0.00 H new