USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 663 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 16 THR OG1 : rot 44:sc= -0.394 USER MOD Set 1.2: A 31 MET CE :methyl -166:sc= -5.48! (180deg=-5.65!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.85 K(o=-0.85,f=-7.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.033) USER MOD Single : A 39 SER OG : rot -179:sc= -1.35 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00471 X(o=-0.0047,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 140:sc= -0.842 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.17) USER MOD Single : A 75 MET CE :methyl 156:sc= -0.561 (180deg=-0.781) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -1.48 (180deg=-1.84) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.031 -15.579 -2.612 1.00 0.00 N ATOM 72 CA ASP A 5 -3.191 -15.963 -4.004 1.00 0.00 C ATOM 73 C ASP A 5 -3.652 -14.749 -4.814 1.00 0.00 C ATOM 74 O ASP A 5 -3.821 -13.661 -4.266 1.00 0.00 O ATOM 75 CB ASP A 5 -4.246 -17.060 -4.154 1.00 0.00 C ATOM 76 CG ASP A 5 -4.329 -18.042 -2.984 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.740 -17.678 -1.872 1.00 0.00 O ATOM 78 OD2 ASP A 5 -3.945 -19.244 -3.253 1.00 0.00 O ATOM 0 HA ASP A 5 -2.231 -16.334 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.221 -16.590 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.038 -17.621 -5.065 1.00 0.00 H new ATOM 84 N ASP A 6 -3.842 -14.977 -6.105 1.00 0.00 N ATOM 85 CA ASP A 6 -4.280 -13.916 -6.995 1.00 0.00 C ATOM 86 C ASP A 6 -5.466 -13.183 -6.364 1.00 0.00 C ATOM 87 O ASP A 6 -5.632 -11.980 -6.560 1.00 0.00 O ATOM 88 CB ASP A 6 -4.736 -14.480 -8.342 1.00 0.00 C ATOM 89 CG ASP A 6 -3.830 -15.565 -8.929 1.00 0.00 C ATOM 90 OD1 ASP A 6 -2.674 -15.726 -8.511 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.363 -16.271 -9.867 1.00 0.00 O ATOM 0 H ASP A 6 -3.701 -15.881 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.439 -13.240 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.740 -14.889 -8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.806 -13.660 -9.057 1.00 0.00 H new ATOM 97 N ILE A 7 -6.259 -13.939 -5.619 1.00 0.00 N ATOM 98 CA ILE A 7 -7.424 -13.376 -4.958 1.00 0.00 C ATOM 99 C ILE A 7 -6.972 -12.313 -3.955 1.00 0.00 C ATOM 100 O ILE A 7 -7.574 -11.245 -3.864 1.00 0.00 O ATOM 101 CB ILE A 7 -8.275 -14.486 -4.337 1.00 0.00 C ATOM 102 CG1 ILE A 7 -8.948 -15.332 -5.420 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.290 -13.909 -3.348 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.485 -16.641 -4.838 1.00 0.00 C ATOM 0 H ILE A 7 -6.118 -14.936 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.069 -12.878 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.616 -15.148 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.765 -14.769 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.233 -15.549 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.882 -14.718 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.763 -13.385 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.948 -13.213 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.958 -17.223 -5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.662 -17.213 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.217 -16.421 -4.061 1.00 0.00 H new ATOM 116 N ALA A 8 -5.916 -12.644 -3.226 1.00 0.00 N ATOM 117 CA ALA A 8 -5.376 -11.731 -2.233 1.00 0.00 C ATOM 118 C ALA A 8 -4.919 -10.445 -2.924 1.00 0.00 C ATOM 119 O ALA A 8 -5.380 -9.356 -2.584 1.00 0.00 O ATOM 120 CB ALA A 8 -4.242 -12.419 -1.471 1.00 0.00 C ATOM 0 H ALA A 8 -5.420 -13.532 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.140 -11.460 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.837 -11.734 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.626 -13.310 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.455 -12.703 -2.169 1.00 0.00 H new ATOM 126 N LYS A 9 -4.018 -10.613 -3.880 1.00 0.00 N ATOM 127 CA LYS A 9 -3.494 -9.478 -4.622 1.00 0.00 C ATOM 128 C LYS A 9 -4.643 -8.772 -5.345 1.00 0.00 C ATOM 129 O LYS A 9 -4.637 -7.550 -5.481 1.00 0.00 O ATOM 130 CB LYS A 9 -2.363 -9.923 -5.551 1.00 0.00 C ATOM 131 CG LYS A 9 -2.908 -10.333 -6.921 1.00 0.00 C ATOM 132 CD LYS A 9 -1.775 -10.760 -7.856 1.00 0.00 C ATOM 133 CE LYS A 9 -0.925 -11.862 -7.220 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.367 -12.753 -8.262 1.00 0.00 N ATOM 0 H LYS A 9 -3.637 -11.517 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.050 -8.750 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.644 -9.112 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.828 -10.760 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.616 -11.153 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.455 -9.500 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.191 -11.115 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.147 -9.900 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.115 -11.417 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.532 -12.442 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.207 -13.495 -7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.144 -13.192 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.229 -12.199 -8.910 1.00 0.00 H new ATOM 147 N ARG A 10 -5.600 -9.573 -5.790 1.00 0.00 N ATOM 148 CA ARG A 10 -6.753 -9.039 -6.496 1.00 0.00 C ATOM 149 C ARG A 10 -7.467 -7.995 -5.634 1.00 0.00 C ATOM 150 O ARG A 10 -8.116 -7.092 -6.159 1.00 0.00 O ATOM 151 CB ARG A 10 -7.740 -10.151 -6.858 1.00 0.00 C ATOM 152 CG ARG A 10 -7.524 -10.628 -8.296 1.00 0.00 C ATOM 153 CD ARG A 10 -8.666 -11.541 -8.748 1.00 0.00 C ATOM 154 NE ARG A 10 -8.981 -11.291 -10.172 1.00 0.00 N ATOM 155 CZ ARG A 10 -10.000 -11.877 -10.836 1.00 0.00 C ATOM 156 NH1 ARG A 10 -10.812 -12.754 -10.209 1.00 0.00 N ATOM 157 NH2 ARG A 10 -10.190 -11.580 -12.108 1.00 0.00 N ATOM 0 H ARG A 10 -5.601 -10.587 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.393 -8.574 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.618 -10.988 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.761 -9.788 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.456 -9.768 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.577 -11.162 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.386 -12.585 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.549 -11.363 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.391 -10.635 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.658 -12.979 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.580 -13.192 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.572 -10.917 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.955 -12.014 -12.624 1.00 0.00 H new ATOM 170 N LYS A 11 -7.322 -8.154 -4.327 1.00 0.00 N ATOM 171 CA LYS A 11 -7.945 -7.237 -3.388 1.00 0.00 C ATOM 172 C LYS A 11 -7.161 -5.923 -3.370 1.00 0.00 C ATOM 173 O LYS A 11 -7.745 -4.849 -3.228 1.00 0.00 O ATOM 174 CB LYS A 11 -8.081 -7.890 -2.011 1.00 0.00 C ATOM 175 CG LYS A 11 -8.729 -6.930 -1.011 1.00 0.00 C ATOM 176 CD LYS A 11 -8.203 -7.175 0.404 1.00 0.00 C ATOM 177 CE LYS A 11 -9.311 -7.702 1.318 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.527 -9.149 1.090 1.00 0.00 N ATOM 0 H LYS A 11 -6.782 -8.904 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.961 -7.000 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.681 -8.796 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.098 -8.190 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.525 -5.900 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.811 -7.058 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.382 -7.891 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.801 -6.248 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.044 -7.528 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.236 -7.156 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.282 -9.491 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.803 -9.307 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.648 -9.667 1.292 1.00 0.00 H new ATOM 191 N ILE A 12 -5.851 -6.050 -3.516 1.00 0.00 N ATOM 192 CA ILE A 12 -4.981 -4.886 -3.519 1.00 0.00 C ATOM 193 C ILE A 12 -5.625 -3.776 -4.352 1.00 0.00 C ATOM 194 O ILE A 12 -5.764 -2.646 -3.886 1.00 0.00 O ATOM 195 CB ILE A 12 -3.575 -5.268 -3.985 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.514 -4.742 -3.017 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.326 -4.798 -5.420 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.156 -5.797 -1.969 1.00 0.00 C ATOM 0 H ILE A 12 -5.370 -6.942 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.861 -4.498 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.499 -6.355 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.620 -4.457 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.882 -3.843 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.319 -5.082 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.053 -5.262 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.428 -3.714 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.400 -5.397 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.047 -6.062 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.766 -6.685 -2.466 1.00 0.00 H new ATOM 210 N ARG A 13 -6.000 -4.137 -5.571 1.00 0.00 N ATOM 211 CA ARG A 13 -6.626 -3.185 -6.473 1.00 0.00 C ATOM 212 C ARG A 13 -8.080 -2.941 -6.063 1.00 0.00 C ATOM 213 O ARG A 13 -8.571 -1.817 -6.144 1.00 0.00 O ATOM 214 CB ARG A 13 -6.589 -3.690 -7.917 1.00 0.00 C ATOM 215 CG ARG A 13 -5.989 -2.636 -8.851 1.00 0.00 C ATOM 216 CD ARG A 13 -6.120 -3.062 -10.314 1.00 0.00 C ATOM 217 NE ARG A 13 -6.753 -1.979 -11.101 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.621 -1.840 -12.438 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.878 -2.714 -13.148 1.00 0.00 N ATOM 220 NH2 ARG A 13 -7.231 -0.835 -13.039 1.00 0.00 N ATOM 0 H ARG A 13 -5.882 -5.075 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.066 -2.252 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.001 -4.606 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.598 -3.940 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.493 -1.682 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.938 -2.483 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.137 -3.294 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.717 -3.971 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.324 -1.296 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.410 -3.488 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.784 -2.601 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.791 -0.179 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.142 -0.715 -14.048 1.00 0.00 H new ATOM 233 N PHE A 14 -8.727 -4.014 -5.631 1.00 0.00 N ATOM 234 CA PHE A 14 -10.115 -3.930 -5.208 1.00 0.00 C ATOM 235 C PHE A 14 -10.258 -3.041 -3.971 1.00 0.00 C ATOM 236 O PHE A 14 -11.344 -2.539 -3.686 1.00 0.00 O ATOM 237 CB PHE A 14 -10.561 -5.350 -4.855 1.00 0.00 C ATOM 238 CG PHE A 14 -12.001 -5.669 -5.260 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.037 -5.040 -4.642 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.247 -6.581 -6.239 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.374 -5.336 -5.018 1.00 0.00 C ATOM 242 CE2 PHE A 14 -13.583 -6.877 -6.615 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.619 -6.248 -5.997 1.00 0.00 C ATOM 0 H PHE A 14 -8.316 -4.945 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.722 -3.499 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.892 -6.061 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.456 -5.496 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.843 -4.315 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.425 -7.080 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.196 -4.837 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.777 -7.602 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.636 -6.473 -6.284 1.00 0.00 H new ATOM 253 N GLN A 15 -9.147 -2.873 -3.270 1.00 0.00 N ATOM 254 CA GLN A 15 -9.135 -2.053 -2.071 1.00 0.00 C ATOM 255 C GLN A 15 -8.919 -0.583 -2.435 1.00 0.00 C ATOM 256 O GLN A 15 -9.507 0.306 -1.821 1.00 0.00 O ATOM 257 CB GLN A 15 -8.069 -2.537 -1.086 1.00 0.00 C ATOM 258 CG GLN A 15 -8.708 -3.230 0.118 1.00 0.00 C ATOM 259 CD GLN A 15 -8.529 -2.397 1.389 1.00 0.00 C ATOM 260 OE1 GLN A 15 -7.809 -2.761 2.304 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.223 -1.263 1.395 1.00 0.00 N ATOM 0 H GLN A 15 -8.248 -3.291 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.104 -2.147 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.391 -3.226 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.471 -1.691 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.770 -3.389 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.259 -4.213 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.807 -1.018 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.171 -0.638 2.199 1.00 0.00 H new ATOM 270 N THR A 16 -8.072 -0.372 -3.432 1.00 0.00 N ATOM 271 CA THR A 16 -7.771 0.975 -3.885 1.00 0.00 C ATOM 272 C THR A 16 -9.018 1.628 -4.484 1.00 0.00 C ATOM 273 O THR A 16 -10.124 1.107 -4.344 1.00 0.00 O ATOM 274 CB THR A 16 -6.599 0.893 -4.865 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.817 -0.329 -5.566 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.258 0.683 -4.159 1.00 0.00 C ATOM 0 H THR A 16 -7.585 -1.111 -3.939 1.00 0.00 H new ATOM 0 HA THR A 16 -7.475 1.615 -3.053 1.00 0.00 H new ATOM 0 HB THR A 16 -6.558 1.807 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.764 -0.403 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.461 0.632 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.070 1.515 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.287 -0.248 -3.593 1.00 0.00 H new ATOM 284 N ARG A 17 -8.799 2.760 -5.137 1.00 0.00 N ATOM 285 CA ARG A 17 -9.892 3.490 -5.757 1.00 0.00 C ATOM 286 C ARG A 17 -10.870 3.987 -4.691 1.00 0.00 C ATOM 287 O ARG A 17 -11.409 3.194 -3.920 1.00 0.00 O ATOM 288 CB ARG A 17 -10.643 2.611 -6.759 1.00 0.00 C ATOM 289 CG ARG A 17 -9.669 1.887 -7.691 1.00 0.00 C ATOM 290 CD ARG A 17 -10.372 0.760 -8.450 1.00 0.00 C ATOM 291 NE ARG A 17 -10.605 1.165 -9.855 1.00 0.00 N ATOM 292 CZ ARG A 17 -11.267 0.412 -10.759 1.00 0.00 C ATOM 293 NH1 ARG A 17 -11.770 -0.792 -10.412 1.00 0.00 N ATOM 294 NH2 ARG A 17 -11.417 0.872 -11.987 1.00 0.00 N ATOM 0 H ARG A 17 -7.881 3.190 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.464 4.341 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.251 1.881 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.326 3.225 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.243 2.597 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.841 1.479 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.764 -0.144 -8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.321 0.523 -7.969 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.243 2.069 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.651 -1.139 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.269 -1.354 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.035 1.783 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.914 0.316 -12.683 1.00 0.00 H new ATOM 307 N ARG A 18 -11.071 5.297 -4.681 1.00 0.00 N ATOM 308 CA ARG A 18 -11.975 5.908 -3.723 1.00 0.00 C ATOM 309 C ARG A 18 -12.310 7.340 -4.147 1.00 0.00 C ATOM 310 O ARG A 18 -12.268 7.665 -5.333 1.00 0.00 O ATOM 311 CB ARG A 18 -11.360 5.930 -2.322 1.00 0.00 C ATOM 312 CG ARG A 18 -12.393 5.535 -1.264 1.00 0.00 C ATOM 313 CD ARG A 18 -11.803 4.532 -0.270 1.00 0.00 C ATOM 314 NE ARG A 18 -12.452 3.213 -0.436 1.00 0.00 N ATOM 315 CZ ARG A 18 -11.986 2.066 0.103 1.00 0.00 C ATOM 316 NH1 ARG A 18 -10.862 2.068 0.850 1.00 0.00 N ATOM 317 NH2 ARG A 18 -12.647 0.944 -0.110 1.00 0.00 N ATOM 0 H ARG A 18 -10.623 5.952 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.886 5.310 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.513 5.245 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.975 6.926 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.732 6.424 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.268 5.101 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.728 4.440 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.946 4.891 0.749 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.305 3.167 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.358 2.940 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.516 1.197 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.496 0.952 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.308 0.069 0.290 1.00 0.00 H new ATOM 330 N GLY A 19 -12.635 8.156 -3.156 1.00 0.00 N ATOM 331 CA GLY A 19 -12.976 9.545 -3.412 1.00 0.00 C ATOM 332 C GLY A 19 -11.745 10.445 -3.288 1.00 0.00 C ATOM 333 O GLY A 19 -11.770 11.442 -2.569 1.00 0.00 O ATOM 0 H GLY A 19 -12.670 7.882 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.401 9.640 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.741 9.871 -2.708 1.00 0.00 H new ATOM 337 N LEU A 20 -10.696 10.060 -4.001 1.00 0.00 N ATOM 338 CA LEU A 20 -9.458 10.819 -3.980 1.00 0.00 C ATOM 339 C LEU A 20 -8.787 10.730 -5.352 1.00 0.00 C ATOM 340 O LEU A 20 -8.329 9.662 -5.755 1.00 0.00 O ATOM 341 CB LEU A 20 -8.564 10.355 -2.828 1.00 0.00 C ATOM 342 CG LEU A 20 -8.672 11.158 -1.530 1.00 0.00 C ATOM 343 CD1 LEU A 20 -7.398 11.022 -0.694 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.015 12.621 -1.817 1.00 0.00 C ATOM 0 H LEU A 20 -10.679 9.232 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.661 11.873 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.799 9.314 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.528 10.383 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.490 10.745 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.501 11.602 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.237 9.973 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.547 11.393 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.086 13.169 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.235 13.063 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.969 12.675 -2.341 1.00 0.00 H new ATOM 356 N LEU A 21 -8.750 11.867 -6.032 1.00 0.00 N ATOM 357 CA LEU A 21 -8.143 11.931 -7.350 1.00 0.00 C ATOM 358 C LEU A 21 -6.643 11.655 -7.231 1.00 0.00 C ATOM 359 O LEU A 21 -6.175 10.581 -7.605 1.00 0.00 O ATOM 360 CB LEU A 21 -8.471 13.264 -8.027 1.00 0.00 C ATOM 361 CG LEU A 21 -7.855 13.484 -9.410 1.00 0.00 C ATOM 362 CD1 LEU A 21 -8.423 12.493 -10.427 1.00 0.00 C ATOM 363 CD2 LEU A 21 -8.029 14.935 -9.863 1.00 0.00 C ATOM 0 H LEU A 21 -9.131 12.751 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.559 11.159 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.554 13.346 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.143 14.072 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.784 13.295 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.968 12.671 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.204 11.475 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.502 12.626 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.582 15.064 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.091 15.176 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.538 15.599 -9.152 1.00 0.00 H new ATOM 375 N GLU A 22 -5.932 12.642 -6.707 1.00 0.00 N ATOM 376 CA GLU A 22 -4.495 12.519 -6.533 1.00 0.00 C ATOM 377 C GLU A 22 -4.134 11.099 -6.090 1.00 0.00 C ATOM 378 O GLU A 22 -3.249 10.471 -6.670 1.00 0.00 O ATOM 379 CB GLU A 22 -3.972 13.554 -5.535 1.00 0.00 C ATOM 380 CG GLU A 22 -2.677 14.195 -6.037 1.00 0.00 C ATOM 381 CD GLU A 22 -2.952 15.555 -6.682 1.00 0.00 C ATOM 382 OE1 GLU A 22 -3.422 15.614 -7.827 1.00 0.00 O ATOM 383 OE2 GLU A 22 -2.660 16.575 -5.948 1.00 0.00 O ATOM 0 H GLU A 22 -6.324 13.531 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.015 12.713 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.726 14.325 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.796 13.078 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.982 14.316 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.197 13.536 -6.761 1.00 0.00 H new ATOM 391 N LEU A 23 -4.837 10.636 -5.067 1.00 0.00 N ATOM 392 CA LEU A 23 -4.601 9.302 -4.541 1.00 0.00 C ATOM 393 C LEU A 23 -4.786 8.276 -5.660 1.00 0.00 C ATOM 394 O LEU A 23 -3.914 7.440 -5.891 1.00 0.00 O ATOM 395 CB LEU A 23 -5.486 9.045 -3.319 1.00 0.00 C ATOM 396 CG LEU A 23 -4.970 8.002 -2.325 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.619 8.421 -1.742 1.00 0.00 C ATOM 398 CD2 LEU A 23 -6.005 7.726 -1.233 1.00 0.00 C ATOM 0 H LEU A 23 -5.570 11.160 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.574 9.208 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.622 9.988 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.470 8.731 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.812 7.067 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.275 7.662 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.892 8.526 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.726 9.374 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.613 6.981 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.218 8.648 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.922 7.351 -1.687 1.00 0.00 H new ATOM 410 N ASP A 24 -5.928 8.374 -6.326 1.00 0.00 N ATOM 411 CA ASP A 24 -6.238 7.464 -7.416 1.00 0.00 C ATOM 412 C ASP A 24 -5.067 7.435 -8.400 1.00 0.00 C ATOM 413 O ASP A 24 -4.752 6.389 -8.965 1.00 0.00 O ATOM 414 CB ASP A 24 -7.484 7.922 -8.177 1.00 0.00 C ATOM 415 CG ASP A 24 -7.847 7.070 -9.395 1.00 0.00 C ATOM 416 OD1 ASP A 24 -8.613 6.101 -9.292 1.00 0.00 O ATOM 417 OD2 ASP A 24 -7.299 7.441 -10.503 1.00 0.00 O ATOM 0 H ASP A 24 -6.649 9.069 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.417 6.477 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.330 7.926 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.334 8.951 -8.504 1.00 0.00 H new ATOM 423 N LEU A 25 -4.453 8.597 -8.574 1.00 0.00 N ATOM 424 CA LEU A 25 -3.323 8.718 -9.480 1.00 0.00 C ATOM 425 C LEU A 25 -2.117 7.989 -8.884 1.00 0.00 C ATOM 426 O LEU A 25 -1.470 7.194 -9.563 1.00 0.00 O ATOM 427 CB LEU A 25 -3.054 10.188 -9.807 1.00 0.00 C ATOM 428 CG LEU A 25 -4.286 11.088 -9.912 1.00 0.00 C ATOM 429 CD1 LEU A 25 -3.965 12.369 -10.685 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.467 10.332 -10.524 1.00 0.00 C ATOM 0 H LEU A 25 -4.717 9.462 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.546 8.239 -10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.395 10.596 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.512 10.236 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.579 11.384 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.858 12.991 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.175 12.916 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.633 12.113 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.330 10.995 -10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.200 9.987 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.714 9.474 -9.898 1.00 0.00 H new ATOM 442 N ILE A 26 -1.852 8.287 -7.620 1.00 0.00 N ATOM 443 CA ILE A 26 -0.735 7.670 -6.925 1.00 0.00 C ATOM 444 C ILE A 26 -0.753 6.161 -7.178 1.00 0.00 C ATOM 445 O ILE A 26 0.188 5.613 -7.749 1.00 0.00 O ATOM 446 CB ILE A 26 -0.753 8.046 -5.442 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.659 9.562 -5.259 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.345 7.306 -4.675 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.315 9.997 -3.947 1.00 0.00 C ATOM 0 H ILE A 26 -2.391 8.947 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 26 0.211 8.047 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.708 7.730 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.387 9.869 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.144 10.064 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.310 7.591 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.190 6.231 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.318 7.568 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.234 11.079 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.367 9.710 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.812 9.512 -3.110 1.00 0.00 H new ATOM 461 N PHE A 27 -1.834 5.533 -6.739 1.00 0.00 N ATOM 462 CA PHE A 27 -1.987 4.098 -6.911 1.00 0.00 C ATOM 463 C PHE A 27 -1.580 3.668 -8.322 1.00 0.00 C ATOM 464 O PHE A 27 -0.938 2.634 -8.499 1.00 0.00 O ATOM 465 CB PHE A 27 -3.468 3.778 -6.700 1.00 0.00 C ATOM 466 CG PHE A 27 -3.942 3.950 -5.256 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.181 3.483 -4.230 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.125 4.569 -4.998 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.622 3.643 -2.889 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.566 4.729 -3.658 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.805 4.263 -2.632 1.00 0.00 C ATOM 0 H PHE A 27 -2.612 5.991 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.351 3.568 -6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.064 4.422 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.655 2.751 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.242 2.991 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.729 4.939 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.018 3.272 -2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.506 5.221 -3.454 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.140 4.385 -1.613 1.00 0.00 H new ATOM 481 N GLY A 28 -1.970 4.484 -9.290 1.00 0.00 N ATOM 482 CA GLY A 28 -1.654 4.201 -10.680 1.00 0.00 C ATOM 483 C GLY A 28 -0.209 3.719 -10.826 1.00 0.00 C ATOM 484 O GLY A 28 0.035 2.613 -11.306 1.00 0.00 O ATOM 0 H GLY A 28 -2.502 5.341 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.335 3.442 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.805 5.098 -11.281 1.00 0.00 H new ATOM 488 N ARG A 29 0.712 4.573 -10.404 1.00 0.00 N ATOM 489 CA ARG A 29 2.126 4.248 -10.482 1.00 0.00 C ATOM 490 C ARG A 29 2.550 3.427 -9.263 1.00 0.00 C ATOM 491 O ARG A 29 3.211 2.399 -9.401 1.00 0.00 O ATOM 492 CB ARG A 29 2.979 5.516 -10.557 1.00 0.00 C ATOM 493 CG ARG A 29 3.267 5.898 -12.010 1.00 0.00 C ATOM 494 CD ARG A 29 4.700 5.528 -12.400 1.00 0.00 C ATOM 495 NE ARG A 29 4.942 5.870 -13.820 1.00 0.00 N ATOM 496 CZ ARG A 29 6.168 5.969 -14.376 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.275 5.752 -13.636 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.267 6.281 -15.655 1.00 0.00 N ATOM 0 H ARG A 29 0.506 5.490 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 29 2.283 3.664 -11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.463 6.336 -10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.918 5.359 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.564 5.390 -12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.114 6.969 -12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.408 6.059 -11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.866 4.463 -12.241 1.00 0.00 H new ATOM 0 HE ARG A 29 4.132 6.042 -14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.189 5.511 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.198 5.829 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.425 6.443 -16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.186 6.360 -16.091 1.00 0.00 H new ATOM 511 N PHE A 30 2.153 3.912 -8.095 1.00 0.00 N ATOM 512 CA PHE A 30 2.483 3.236 -6.853 1.00 0.00 C ATOM 513 C PHE A 30 2.300 1.723 -6.986 1.00 0.00 C ATOM 514 O PHE A 30 2.962 0.950 -6.295 1.00 0.00 O ATOM 515 CB PHE A 30 1.520 3.762 -5.787 1.00 0.00 C ATOM 516 CG PHE A 30 1.213 2.757 -4.675 1.00 0.00 C ATOM 517 CD1 PHE A 30 0.188 1.875 -4.820 1.00 0.00 C ATOM 518 CD2 PHE A 30 1.963 2.747 -3.541 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.097 0.942 -3.788 1.00 0.00 C ATOM 520 CE2 PHE A 30 1.678 1.815 -2.509 1.00 0.00 C ATOM 521 CZ PHE A 30 0.654 0.932 -2.654 1.00 0.00 C ATOM 0 H PHE A 30 1.606 4.765 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 30 3.524 3.427 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.944 4.662 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.586 4.053 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.409 1.884 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.776 3.448 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.910 0.240 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.274 1.807 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.437 0.223 -1.869 1.00 0.00 H new ATOM 531 N MET A 31 1.397 1.344 -7.879 1.00 0.00 N ATOM 532 CA MET A 31 1.118 -0.062 -8.112 1.00 0.00 C ATOM 533 C MET A 31 2.154 -0.678 -9.054 1.00 0.00 C ATOM 534 O MET A 31 2.590 -1.810 -8.849 1.00 0.00 O ATOM 535 CB MET A 31 -0.278 -0.212 -8.719 1.00 0.00 C ATOM 536 CG MET A 31 -1.332 -0.415 -7.629 1.00 0.00 C ATOM 537 SD MET A 31 -2.812 0.498 -8.033 1.00 0.00 S ATOM 538 CE MET A 31 -4.044 -0.577 -7.319 1.00 0.00 C ATOM 0 H MET A 31 0.849 1.987 -8.450 1.00 0.00 H new ATOM 0 HA MET A 31 1.166 -0.586 -7.157 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.521 0.675 -9.304 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.291 -1.059 -9.405 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.565 -1.475 -7.530 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.941 -0.083 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.030 -0.296 -7.688 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.833 -1.609 -7.599 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.023 -0.484 -6.233 1.00 0.00 H new ATOM 548 N GLU A 32 2.519 0.094 -10.067 1.00 0.00 N ATOM 549 CA GLU A 32 3.495 -0.361 -11.042 1.00 0.00 C ATOM 550 C GLU A 32 4.852 -0.584 -10.370 1.00 0.00 C ATOM 551 O GLU A 32 5.692 -1.318 -10.887 1.00 0.00 O ATOM 552 CB GLU A 32 3.614 0.628 -12.203 1.00 0.00 C ATOM 553 CG GLU A 32 3.495 -0.089 -13.549 1.00 0.00 C ATOM 554 CD GLU A 32 3.921 0.827 -14.698 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.982 1.464 -14.622 1.00 0.00 O ATOM 556 OE2 GLU A 32 3.106 0.863 -15.697 1.00 0.00 O ATOM 0 H GLU A 32 2.156 1.032 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 32 3.154 -1.311 -11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.835 1.386 -12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.571 1.147 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.116 -0.985 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.466 -0.415 -13.702 1.00 0.00 H new ATOM 564 N LYS A 33 5.024 0.065 -9.227 1.00 0.00 N ATOM 565 CA LYS A 33 6.264 -0.053 -8.479 1.00 0.00 C ATOM 566 C LYS A 33 6.114 -1.147 -7.420 1.00 0.00 C ATOM 567 O LYS A 33 7.101 -1.747 -6.998 1.00 0.00 O ATOM 568 CB LYS A 33 6.675 1.305 -7.906 1.00 0.00 C ATOM 569 CG LYS A 33 8.100 1.670 -8.329 1.00 0.00 C ATOM 570 CD LYS A 33 8.090 2.746 -9.417 1.00 0.00 C ATOM 571 CE LYS A 33 8.958 2.329 -10.607 1.00 0.00 C ATOM 572 NZ LYS A 33 10.270 3.012 -10.556 1.00 0.00 N ATOM 0 H LYS A 33 4.325 0.674 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 33 7.078 -0.356 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.982 2.073 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.610 1.280 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.660 2.027 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.613 0.781 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.067 2.921 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.457 3.687 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.103 1.249 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.450 2.575 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.846 2.718 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.127 4.042 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.760 2.757 -9.675 1.00 0.00 H new ATOM 585 N GLU A 34 4.871 -1.373 -7.021 1.00 0.00 N ATOM 586 CA GLU A 34 4.579 -2.384 -6.019 1.00 0.00 C ATOM 587 C GLU A 34 3.691 -3.480 -6.614 1.00 0.00 C ATOM 588 O GLU A 34 4.172 -4.563 -6.942 1.00 0.00 O ATOM 589 CB GLU A 34 3.927 -1.760 -4.784 1.00 0.00 C ATOM 590 CG GLU A 34 4.972 -1.084 -3.895 1.00 0.00 C ATOM 591 CD GLU A 34 4.859 0.440 -3.978 1.00 0.00 C ATOM 592 OE1 GLU A 34 3.809 1.004 -3.636 1.00 0.00 O ATOM 593 OE2 GLU A 34 5.913 1.041 -4.417 1.00 0.00 O ATOM 0 H GLU A 34 4.055 -0.873 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 34 5.519 -2.837 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.180 -1.029 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.404 -2.530 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.839 -1.406 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.971 -1.395 -4.200 1.00 0.00 H new ATOM 601 N PHE A 35 2.412 -3.159 -6.735 1.00 0.00 N ATOM 602 CA PHE A 35 1.453 -4.103 -7.284 1.00 0.00 C ATOM 603 C PHE A 35 2.037 -4.838 -8.492 1.00 0.00 C ATOM 604 O PHE A 35 1.603 -5.941 -8.821 1.00 0.00 O ATOM 605 CB PHE A 35 0.236 -3.292 -7.736 1.00 0.00 C ATOM 606 CG PHE A 35 -0.881 -4.137 -8.352 1.00 0.00 C ATOM 607 CD1 PHE A 35 -1.211 -5.335 -7.800 1.00 0.00 C ATOM 608 CD2 PHE A 35 -1.543 -3.690 -9.452 1.00 0.00 C ATOM 609 CE1 PHE A 35 -2.247 -6.119 -8.372 1.00 0.00 C ATOM 610 CE2 PHE A 35 -2.579 -4.474 -10.025 1.00 0.00 C ATOM 611 CZ PHE A 35 -2.910 -5.672 -9.472 1.00 0.00 C ATOM 0 H PHE A 35 2.017 -2.259 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 35 1.191 -4.847 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.164 -2.748 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.558 -2.548 -8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.685 -5.690 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.281 -2.738 -9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.509 -7.071 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.104 -4.119 -10.900 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.699 -6.268 -9.906 1.00 0.00 H new ATOM 621 N GLU A 36 3.014 -4.199 -9.118 1.00 0.00 N ATOM 622 CA GLU A 36 3.662 -4.778 -10.282 1.00 0.00 C ATOM 623 C GLU A 36 4.249 -6.148 -9.935 1.00 0.00 C ATOM 624 O GLU A 36 4.148 -7.088 -10.723 1.00 0.00 O ATOM 625 CB GLU A 36 4.741 -3.843 -10.831 1.00 0.00 C ATOM 626 CG GLU A 36 5.493 -4.495 -11.993 1.00 0.00 C ATOM 627 CD GLU A 36 6.958 -4.053 -12.016 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.860 -4.890 -11.865 1.00 0.00 O ATOM 629 OE2 GLU A 36 7.143 -2.790 -12.199 1.00 0.00 O ATOM 0 H GLU A 36 3.373 -3.285 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 36 2.913 -4.912 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.284 -2.912 -11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.443 -3.586 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.438 -5.580 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.014 -4.229 -12.935 1.00 0.00 H new ATOM 637 N HIS A 37 4.849 -6.218 -8.756 1.00 0.00 N ATOM 638 CA HIS A 37 5.452 -7.458 -8.296 1.00 0.00 C ATOM 639 C HIS A 37 5.502 -7.467 -6.767 1.00 0.00 C ATOM 640 O HIS A 37 6.569 -7.634 -6.178 1.00 0.00 O ATOM 641 CB HIS A 37 6.826 -7.664 -8.936 1.00 0.00 C ATOM 642 CG HIS A 37 7.217 -9.113 -9.098 1.00 0.00 C ATOM 643 ND1 HIS A 37 8.334 -9.513 -9.810 1.00 0.00 N ATOM 644 CD2 HIS A 37 6.629 -10.252 -8.633 1.00 0.00 C ATOM 645 CE1 HIS A 37 8.405 -10.836 -9.770 1.00 0.00 C ATOM 646 NE2 HIS A 37 7.347 -11.292 -9.040 1.00 0.00 N ATOM 0 H HIS A 37 4.931 -5.437 -8.105 1.00 0.00 H new ATOM 0 HA HIS A 37 4.840 -8.303 -8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.835 -7.184 -9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.578 -7.161 -8.328 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.731 -10.300 -8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.166 -11.445 -10.234 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.141 -12.271 -8.840 1.00 0.00 H new ATOM 654 N LEU A 38 4.335 -7.286 -6.167 1.00 0.00 N ATOM 655 CA LEU A 38 4.232 -7.271 -4.718 1.00 0.00 C ATOM 656 C LEU A 38 4.782 -8.585 -4.159 1.00 0.00 C ATOM 657 O LEU A 38 5.499 -9.306 -4.851 1.00 0.00 O ATOM 658 CB LEU A 38 2.795 -6.972 -4.286 1.00 0.00 C ATOM 659 CG LEU A 38 2.379 -5.500 -4.310 1.00 0.00 C ATOM 660 CD1 LEU A 38 0.865 -5.355 -4.149 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.147 -4.696 -3.259 1.00 0.00 C ATOM 0 H LEU A 38 3.452 -7.148 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 38 4.839 -6.468 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.119 -7.531 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.655 -7.352 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 38 2.640 -5.088 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.596 -4.299 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.361 -5.873 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.557 -5.789 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.832 -3.653 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.940 -5.101 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.216 -4.760 -3.462 1.00 0.00 H new ATOM 673 N SER A 39 4.426 -8.855 -2.912 1.00 0.00 N ATOM 674 CA SER A 39 4.875 -10.069 -2.251 1.00 0.00 C ATOM 675 C SER A 39 3.970 -10.381 -1.058 1.00 0.00 C ATOM 676 O SER A 39 3.406 -9.474 -0.448 1.00 0.00 O ATOM 677 CB SER A 39 6.330 -9.942 -1.796 1.00 0.00 C ATOM 678 OG SER A 39 6.854 -8.640 -2.039 1.00 0.00 O ATOM 0 H SER A 39 3.832 -8.254 -2.341 1.00 0.00 H new ATOM 0 HA SER A 39 4.817 -10.890 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.398 -10.167 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.939 -10.681 -2.317 1.00 0.00 H new ATOM 0 HG SER A 39 7.789 -8.604 -1.748 1.00 0.00 H new ATOM 684 N ASP A 40 3.860 -11.667 -0.760 1.00 0.00 N ATOM 685 CA ASP A 40 3.033 -12.110 0.350 1.00 0.00 C ATOM 686 C ASP A 40 3.239 -11.171 1.540 1.00 0.00 C ATOM 687 O ASP A 40 2.306 -10.496 1.971 1.00 0.00 O ATOM 688 CB ASP A 40 3.415 -13.524 0.791 1.00 0.00 C ATOM 689 CG ASP A 40 2.662 -14.045 2.017 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.981 -15.079 1.957 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.798 -13.332 3.084 1.00 0.00 O ATOM 0 H ASP A 40 4.330 -12.417 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 40 1.994 -12.104 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.241 -14.207 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.484 -13.546 1.004 1.00 0.00 H new ATOM 697 N LYS A 41 4.467 -11.159 2.037 1.00 0.00 N ATOM 698 CA LYS A 41 4.808 -10.314 3.169 1.00 0.00 C ATOM 699 C LYS A 41 4.503 -8.856 2.821 1.00 0.00 C ATOM 700 O LYS A 41 4.206 -8.052 3.704 1.00 0.00 O ATOM 701 CB LYS A 41 6.256 -10.554 3.601 1.00 0.00 C ATOM 702 CG LYS A 41 6.518 -9.971 4.991 1.00 0.00 C ATOM 703 CD LYS A 41 7.982 -10.153 5.395 1.00 0.00 C ATOM 704 CE LYS A 41 8.301 -9.367 6.668 1.00 0.00 C ATOM 705 NZ LYS A 41 9.454 -9.970 7.374 1.00 0.00 N ATOM 0 H LYS A 41 5.238 -11.721 1.677 1.00 0.00 H new ATOM 0 HA LYS A 41 4.196 -10.571 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.465 -11.624 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.935 -10.100 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.264 -8.911 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.872 -10.459 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.190 -11.211 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.631 -9.819 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.523 -8.330 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.430 -9.356 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.657 -9.424 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.229 -10.952 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.287 -9.958 6.752 1.00 0.00 H new ATOM 718 N GLU A 42 4.589 -8.558 1.533 1.00 0.00 N ATOM 719 CA GLU A 42 4.326 -7.210 1.058 1.00 0.00 C ATOM 720 C GLU A 42 2.820 -6.984 0.907 1.00 0.00 C ATOM 721 O GLU A 42 2.369 -5.846 0.785 1.00 0.00 O ATOM 722 CB GLU A 42 5.055 -6.942 -0.260 1.00 0.00 C ATOM 723 CG GLU A 42 6.514 -6.553 -0.011 1.00 0.00 C ATOM 724 CD GLU A 42 7.067 -5.726 -1.173 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.871 -6.235 -1.969 1.00 0.00 O ATOM 726 OE2 GLU A 42 6.633 -4.513 -1.234 1.00 0.00 O ATOM 0 H GLU A 42 4.837 -9.227 0.804 1.00 0.00 H new ATOM 0 HA GLU A 42 4.707 -6.505 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.014 -7.831 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.550 -6.143 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.589 -5.982 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.117 -7.452 0.119 1.00 0.00 H new ATOM 734 N LEU A 43 2.085 -8.086 0.921 1.00 0.00 N ATOM 735 CA LEU A 43 0.639 -8.022 0.787 1.00 0.00 C ATOM 736 C LEU A 43 0.030 -7.550 2.109 1.00 0.00 C ATOM 737 O LEU A 43 -0.661 -6.533 2.149 1.00 0.00 O ATOM 738 CB LEU A 43 0.087 -9.363 0.300 1.00 0.00 C ATOM 739 CG LEU A 43 0.531 -9.804 -1.096 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.556 -10.636 -1.781 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.951 -8.601 -1.943 1.00 0.00 C ATOM 0 H LEU A 43 2.463 -9.028 1.023 1.00 0.00 H new ATOM 0 HA LEU A 43 0.358 -7.293 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.379 -10.134 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.002 -9.312 0.314 1.00 0.00 H new ATOM 0 HG LEU A 43 1.407 -10.444 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.214 -10.936 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.765 -11.524 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.464 -10.041 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.262 -8.942 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.109 -7.916 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.781 -8.087 -1.459 1.00 0.00 H new ATOM 753 N SER A 44 0.307 -8.311 3.157 1.00 0.00 N ATOM 754 CA SER A 44 -0.205 -7.983 4.477 1.00 0.00 C ATOM 755 C SER A 44 -0.103 -6.475 4.717 1.00 0.00 C ATOM 756 O SER A 44 -1.113 -5.809 4.940 1.00 0.00 O ATOM 757 CB SER A 44 0.550 -8.746 5.566 1.00 0.00 C ATOM 758 OG SER A 44 0.138 -8.358 6.874 1.00 0.00 O ATOM 0 H SER A 44 0.880 -9.154 3.119 1.00 0.00 H new ATOM 0 HA SER A 44 -1.252 -8.282 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.388 -9.816 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.620 -8.570 5.456 1.00 0.00 H new ATOM 0 HG SER A 44 0.642 -8.869 7.541 1.00 0.00 H new ATOM 764 N GLU A 45 1.125 -5.981 4.665 1.00 0.00 N ATOM 765 CA GLU A 45 1.372 -4.565 4.874 1.00 0.00 C ATOM 766 C GLU A 45 0.442 -3.728 3.994 1.00 0.00 C ATOM 767 O GLU A 45 -0.194 -2.790 4.473 1.00 0.00 O ATOM 768 CB GLU A 45 2.838 -4.219 4.607 1.00 0.00 C ATOM 769 CG GLU A 45 3.351 -4.934 3.356 1.00 0.00 C ATOM 770 CD GLU A 45 3.807 -3.928 2.297 1.00 0.00 C ATOM 771 OE1 GLU A 45 3.457 -2.742 2.377 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.553 -4.418 1.365 1.00 0.00 O ATOM 0 H GLU A 45 1.960 -6.537 4.481 1.00 0.00 H new ATOM 0 HA GLU A 45 1.162 -4.330 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.944 -3.141 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.445 -4.503 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.181 -5.589 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.564 -5.567 2.946 1.00 0.00 H new ATOM 780 N PHE A 46 0.390 -4.098 2.723 1.00 0.00 N ATOM 781 CA PHE A 46 -0.452 -3.393 1.772 1.00 0.00 C ATOM 782 C PHE A 46 -1.928 -3.508 2.156 1.00 0.00 C ATOM 783 O PHE A 46 -2.652 -2.514 2.160 1.00 0.00 O ATOM 784 CB PHE A 46 -0.239 -4.054 0.409 1.00 0.00 C ATOM 785 CG PHE A 46 0.504 -3.176 -0.600 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.785 -2.793 -0.354 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.118 -2.778 -1.742 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.474 -1.977 -1.291 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.571 -1.963 -2.678 1.00 0.00 C ATOM 790 CZ PHE A 46 1.853 -1.579 -2.433 1.00 0.00 C ATOM 0 H PHE A 46 0.918 -4.877 2.330 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.190 -2.335 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.319 -4.980 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.209 -4.326 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.279 -3.109 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.136 -3.082 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.492 -1.673 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.077 -1.648 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.377 -0.959 -3.145 1.00 0.00 H new ATOM 800 N SER A 47 -2.331 -4.730 2.471 1.00 0.00 N ATOM 801 CA SER A 47 -3.708 -4.989 2.856 1.00 0.00 C ATOM 802 C SER A 47 -4.013 -4.313 4.195 1.00 0.00 C ATOM 803 O SER A 47 -5.171 -4.040 4.507 1.00 0.00 O ATOM 804 CB SER A 47 -3.982 -6.491 2.945 1.00 0.00 C ATOM 805 OG SER A 47 -5.349 -6.768 3.236 1.00 0.00 O ATOM 0 H SER A 47 -1.728 -5.552 2.467 1.00 0.00 H new ATOM 0 HA SER A 47 -4.361 -4.573 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.709 -6.966 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.351 -6.929 3.718 1.00 0.00 H new ATOM 0 HG SER A 47 -5.483 -7.738 3.283 1.00 0.00 H new ATOM 811 N GLU A 48 -2.953 -4.063 4.950 1.00 0.00 N ATOM 812 CA GLU A 48 -3.093 -3.425 6.247 1.00 0.00 C ATOM 813 C GLU A 48 -3.178 -1.906 6.085 1.00 0.00 C ATOM 814 O GLU A 48 -4.008 -1.256 6.720 1.00 0.00 O ATOM 815 CB GLU A 48 -1.941 -3.813 7.176 1.00 0.00 C ATOM 816 CG GLU A 48 -2.466 -4.291 8.531 1.00 0.00 C ATOM 817 CD GLU A 48 -3.178 -5.639 8.398 1.00 0.00 C ATOM 818 OE1 GLU A 48 -2.516 -6.682 8.292 1.00 0.00 O ATOM 819 OE2 GLU A 48 -4.466 -5.579 8.407 1.00 0.00 O ATOM 0 H GLU A 48 -1.994 -4.291 4.688 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.019 -3.775 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.346 -4.601 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.281 -2.958 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.638 -4.381 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.154 -3.551 8.940 1.00 0.00 H new ATOM 827 N ILE A 49 -2.310 -1.384 5.232 1.00 0.00 N ATOM 828 CA ILE A 49 -2.277 0.047 4.978 1.00 0.00 C ATOM 829 C ILE A 49 -3.464 0.431 4.092 1.00 0.00 C ATOM 830 O ILE A 49 -4.071 1.483 4.284 1.00 0.00 O ATOM 831 CB ILE A 49 -0.921 0.457 4.401 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.115 1.268 5.418 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.092 1.206 3.078 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.297 1.550 4.900 1.00 0.00 C ATOM 0 H ILE A 49 -1.624 -1.926 4.707 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.382 0.602 5.910 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.353 -0.448 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.625 2.209 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.058 0.723 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.113 1.486 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.598 0.562 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.687 2.104 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.848 2.128 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.813 0.607 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.237 2.116 3.971 1.00 0.00 H new ATOM 846 N LEU A 50 -3.759 -0.444 3.141 1.00 0.00 N ATOM 847 CA LEU A 50 -4.862 -0.210 2.225 1.00 0.00 C ATOM 848 C LEU A 50 -6.176 -0.193 3.010 1.00 0.00 C ATOM 849 O LEU A 50 -7.076 0.586 2.703 1.00 0.00 O ATOM 850 CB LEU A 50 -4.839 -1.231 1.086 1.00 0.00 C ATOM 851 CG LEU A 50 -3.759 -1.024 0.023 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.828 -2.115 -1.048 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.845 0.379 -0.582 1.00 0.00 C ATOM 0 H LEU A 50 -3.253 -1.316 2.985 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.762 0.765 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.711 -2.224 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.812 -1.220 0.594 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.785 -1.107 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.050 -1.945 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.679 -3.090 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.804 -2.088 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.066 0.499 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.822 0.516 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.709 1.123 0.203 1.00 0.00 H new ATOM 865 N GLU A 51 -6.243 -1.063 4.007 1.00 0.00 N ATOM 866 CA GLU A 51 -7.431 -1.158 4.838 1.00 0.00 C ATOM 867 C GLU A 51 -7.992 0.237 5.124 1.00 0.00 C ATOM 868 O GLU A 51 -9.205 0.412 5.233 1.00 0.00 O ATOM 869 CB GLU A 51 -7.133 -1.906 6.139 1.00 0.00 C ATOM 870 CG GLU A 51 -7.257 -3.418 5.942 1.00 0.00 C ATOM 871 CD GLU A 51 -8.506 -3.961 6.639 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.517 -4.102 7.871 1.00 0.00 O ATOM 873 OE2 GLU A 51 -9.491 -4.240 5.853 1.00 0.00 O ATOM 0 H GLU A 51 -5.494 -1.708 4.258 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.185 -1.728 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.127 -1.661 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.823 -1.579 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.302 -3.647 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.371 -3.914 6.338 1.00 0.00 H new ATOM 881 N PHE A 52 -7.083 1.193 5.238 1.00 0.00 N ATOM 882 CA PHE A 52 -7.471 2.567 5.510 1.00 0.00 C ATOM 883 C PHE A 52 -8.131 3.202 4.285 1.00 0.00 C ATOM 884 O PHE A 52 -7.909 2.763 3.158 1.00 0.00 O ATOM 885 CB PHE A 52 -6.191 3.337 5.842 1.00 0.00 C ATOM 886 CG PHE A 52 -6.037 3.678 7.325 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.726 4.722 7.858 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.210 2.937 8.111 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.583 5.039 9.235 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.067 3.254 9.487 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.756 4.298 10.020 1.00 0.00 C ATOM 0 H PHE A 52 -6.078 1.044 5.147 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.187 2.596 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.331 2.747 5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.175 4.261 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.382 5.310 7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.662 2.108 7.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.131 5.868 9.658 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.411 2.666 10.111 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.646 4.539 11.067 1.00 0.00 H new ATOM 901 N GLN A 53 -8.930 4.226 4.547 1.00 0.00 N ATOM 902 CA GLN A 53 -9.624 4.927 3.480 1.00 0.00 C ATOM 903 C GLN A 53 -8.657 5.846 2.732 1.00 0.00 C ATOM 904 O GLN A 53 -7.602 6.201 3.255 1.00 0.00 O ATOM 905 CB GLN A 53 -10.817 5.714 4.026 1.00 0.00 C ATOM 906 CG GLN A 53 -11.440 5.002 5.229 1.00 0.00 C ATOM 907 CD GLN A 53 -12.968 5.032 5.154 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.640 5.694 5.928 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.477 4.282 4.181 1.00 0.00 N ATOM 0 H GLN A 53 -9.112 4.587 5.483 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.009 4.188 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.495 6.714 4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.566 5.836 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.094 3.969 5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.108 5.480 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.857 3.752 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.487 4.236 4.048 1.00 0.00 H new ATOM 918 N ASP A 54 -9.052 6.207 1.519 1.00 0.00 N ATOM 919 CA ASP A 54 -8.233 7.078 0.694 1.00 0.00 C ATOM 920 C ASP A 54 -7.900 8.350 1.476 1.00 0.00 C ATOM 921 O ASP A 54 -6.734 8.622 1.758 1.00 0.00 O ATOM 922 CB ASP A 54 -8.975 7.487 -0.580 1.00 0.00 C ATOM 923 CG ASP A 54 -8.609 6.682 -1.828 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.799 7.144 -2.964 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.103 5.519 -1.598 1.00 0.00 O ATOM 0 H ASP A 54 -9.928 5.912 1.088 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.327 6.534 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.047 7.391 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.777 8.541 -0.775 1.00 0.00 H new ATOM 931 N GLN A 55 -8.946 9.094 1.806 1.00 0.00 N ATOM 932 CA GLN A 55 -8.779 10.331 2.550 1.00 0.00 C ATOM 933 C GLN A 55 -7.820 10.119 3.723 1.00 0.00 C ATOM 934 O GLN A 55 -6.806 10.806 3.833 1.00 0.00 O ATOM 935 CB GLN A 55 -10.128 10.865 3.035 1.00 0.00 C ATOM 936 CG GLN A 55 -10.151 12.395 3.015 1.00 0.00 C ATOM 937 CD GLN A 55 -11.543 12.918 2.652 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.522 12.682 3.341 1.00 0.00 O ATOM 939 NE2 GLN A 55 -11.575 13.639 1.535 1.00 0.00 N ATOM 0 H GLN A 55 -9.912 8.864 1.572 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.348 11.078 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.926 10.477 2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.322 10.508 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.858 12.779 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.421 12.764 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.718 13.798 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.457 14.033 1.207 1.00 0.00 H new ATOM 948 N GLU A 56 -8.175 9.165 4.571 1.00 0.00 N ATOM 949 CA GLU A 56 -7.359 8.854 5.732 1.00 0.00 C ATOM 950 C GLU A 56 -5.903 8.636 5.315 1.00 0.00 C ATOM 951 O GLU A 56 -4.990 9.205 5.911 1.00 0.00 O ATOM 952 CB GLU A 56 -7.905 7.633 6.475 1.00 0.00 C ATOM 953 CG GLU A 56 -9.258 7.942 7.119 1.00 0.00 C ATOM 954 CD GLU A 56 -9.358 7.318 8.512 1.00 0.00 C ATOM 955 OE1 GLU A 56 -9.096 6.117 8.674 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.722 8.128 9.448 1.00 0.00 O ATOM 0 H GLU A 56 -9.017 8.597 4.477 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.398 9.702 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.010 6.798 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.196 7.323 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.393 9.021 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.061 7.561 6.488 1.00 0.00 H new ATOM 964 N LEU A 57 -5.731 7.810 4.293 1.00 0.00 N ATOM 965 CA LEU A 57 -4.402 7.510 3.788 1.00 0.00 C ATOM 966 C LEU A 57 -3.685 8.817 3.444 1.00 0.00 C ATOM 967 O LEU A 57 -2.595 9.083 3.949 1.00 0.00 O ATOM 968 CB LEU A 57 -4.482 6.526 2.619 1.00 0.00 C ATOM 969 CG LEU A 57 -3.146 6.111 2.000 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.537 4.926 2.752 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.302 5.822 0.505 1.00 0.00 C ATOM 0 H LEU A 57 -6.490 7.339 3.801 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.807 7.011 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.996 5.628 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.100 6.970 1.838 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.451 6.945 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.588 4.652 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.368 5.203 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.220 4.078 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.338 5.529 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.019 5.013 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.660 6.717 -0.003 1.00 0.00 H new ATOM 983 N LEU A 58 -4.325 9.598 2.587 1.00 0.00 N ATOM 984 CA LEU A 58 -3.762 10.871 2.170 1.00 0.00 C ATOM 985 C LEU A 58 -3.394 11.692 3.407 1.00 0.00 C ATOM 986 O LEU A 58 -2.222 11.987 3.634 1.00 0.00 O ATOM 987 CB LEU A 58 -4.717 11.592 1.216 1.00 0.00 C ATOM 988 CG LEU A 58 -4.063 12.347 0.057 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.551 11.378 -1.010 1.00 0.00 C ATOM 990 CD2 LEU A 58 -5.018 13.390 -0.527 1.00 0.00 C ATOM 0 H LEU A 58 -5.228 9.374 2.170 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.842 10.714 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.408 10.858 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.312 12.299 1.794 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.198 12.884 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.091 11.941 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.813 10.708 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.384 10.793 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.528 13.912 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.916 12.895 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.291 14.107 0.247 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.417 12.036 4.176 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.215 12.816 5.385 1.00 0.00 C ATOM 1004 C ALA A 59 -3.086 12.192 6.208 1.00 0.00 C ATOM 1005 O ALA A 59 -2.226 12.901 6.726 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.529 12.898 6.165 1.00 0.00 C ATOM 0 H ALA A 59 -5.388 11.789 3.985 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.918 13.835 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.378 13.483 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.289 13.376 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.857 11.893 6.432 1.00 0.00 H new ATOM 1012 N LEU A 60 -3.126 10.871 6.301 1.00 0.00 N ATOM 1013 CA LEU A 60 -2.118 10.143 7.052 1.00 0.00 C ATOM 1014 C LEU A 60 -0.727 10.595 6.601 1.00 0.00 C ATOM 1015 O LEU A 60 0.050 11.114 7.400 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.343 8.634 6.930 1.00 0.00 C ATOM 1017 CG LEU A 60 -3.064 7.967 8.103 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.827 6.724 7.642 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -2.087 7.652 9.238 1.00 0.00 C ATOM 0 H LEU A 60 -3.841 10.286 5.869 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.199 10.369 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.915 8.444 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.374 8.151 6.803 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.800 8.669 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.330 6.269 8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.567 7.008 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.128 6.008 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.624 7.178 10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.312 6.977 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.628 8.576 9.590 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.457 10.382 5.322 1.00 0.00 N ATOM 1032 CA ILE A 61 0.826 10.761 4.755 1.00 0.00 C ATOM 1033 C ILE A 61 1.143 12.206 5.143 1.00 0.00 C ATOM 1034 O ILE A 61 2.250 12.504 5.591 1.00 0.00 O ATOM 1035 CB ILE A 61 0.839 10.513 3.245 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.895 9.015 2.936 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.980 11.280 2.573 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.634 8.751 1.452 1.00 0.00 C ATOM 0 H ILE A 61 -1.105 9.952 4.662 1.00 0.00 H new ATOM 0 HA ILE A 61 1.622 10.138 5.164 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.094 10.893 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.872 8.619 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.155 8.488 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.967 11.086 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.854 12.348 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.933 10.953 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.680 7.679 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.354 9.126 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.390 9.259 0.854 1.00 0.00 H new ATOM 1050 N ASN A 62 0.152 13.066 4.958 1.00 0.00 N ATOM 1051 CA ASN A 62 0.312 14.473 5.283 1.00 0.00 C ATOM 1052 C ASN A 62 0.623 14.615 6.774 1.00 0.00 C ATOM 1053 O ASN A 62 1.259 15.583 7.190 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.970 15.255 4.991 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.920 15.890 3.600 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.395 16.973 3.402 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.495 15.158 2.650 1.00 0.00 N ATOM 0 H ASN A 62 -0.765 12.815 4.587 1.00 0.00 H new ATOM 0 HA ASN A 62 1.123 14.870 4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.830 14.589 5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.106 16.031 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.514 15.495 1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.917 14.259 2.884 1.00 0.00 H new ATOM 1064 N GLY A 63 0.160 13.637 7.539 1.00 0.00 N ATOM 1065 CA GLY A 63 0.380 13.641 8.975 1.00 0.00 C ATOM 1066 C GLY A 63 -0.906 13.990 9.726 1.00 0.00 C ATOM 1067 O GLY A 63 -0.862 14.386 10.890 1.00 0.00 O ATOM 0 H GLY A 63 -0.367 12.836 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.738 12.662 9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.158 14.362 9.225 1.00 0.00 H new ATOM 1071 N HIS A 64 -2.022 13.830 9.030 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.319 14.123 9.617 1.00 0.00 C ATOM 1073 C HIS A 64 -3.762 12.951 10.494 1.00 0.00 C ATOM 1074 O HIS A 64 -3.534 12.954 11.703 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.340 14.471 8.532 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.795 15.911 8.556 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.928 16.327 9.235 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.260 17.025 7.980 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -6.058 17.635 9.067 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.024 18.066 8.289 1.00 0.00 N ATOM 0 H HIS A 64 -2.055 13.501 8.065 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.242 15.002 10.257 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.906 14.254 7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.210 13.824 8.645 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.366 17.055 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.845 18.252 9.475 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.864 19.029 7.993 1.00 0.00 H new ATOM 1088 N SER A 65 -4.387 11.975 9.851 1.00 0.00 N ATOM 1089 CA SER A 65 -4.864 10.799 10.558 1.00 0.00 C ATOM 1090 C SER A 65 -3.694 10.089 11.241 1.00 0.00 C ATOM 1091 O SER A 65 -2.534 10.378 10.953 1.00 0.00 O ATOM 1092 CB SER A 65 -5.585 9.840 9.608 1.00 0.00 C ATOM 1093 OG SER A 65 -7.001 9.974 9.687 1.00 0.00 O ATOM 0 H SER A 65 -4.574 11.975 8.848 1.00 0.00 H new ATOM 0 HA SER A 65 -5.578 11.122 11.316 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.259 10.030 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.304 8.814 9.847 1.00 0.00 H new ATOM 0 HG SER A 65 -7.424 9.346 9.065 1.00 0.00 H new ATOM 1099 N GLU A 66 -4.040 9.173 12.134 1.00 0.00 N ATOM 1100 CA GLU A 66 -3.032 8.419 12.861 1.00 0.00 C ATOM 1101 C GLU A 66 -3.143 6.929 12.531 1.00 0.00 C ATOM 1102 O GLU A 66 -4.093 6.504 11.874 1.00 0.00 O ATOM 1103 CB GLU A 66 -3.151 8.657 14.368 1.00 0.00 C ATOM 1104 CG GLU A 66 -2.362 9.897 14.791 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.259 9.532 15.788 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -0.703 8.426 15.719 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -0.986 10.445 16.656 1.00 0.00 O ATOM 0 H GLU A 66 -5.003 8.936 12.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.048 8.768 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.200 8.779 14.639 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.782 7.785 14.908 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.922 10.369 13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.037 10.626 15.240 1.00 0.00 H new ATOM 1115 N THR A 67 -2.159 6.177 13.001 1.00 0.00 N ATOM 1116 CA THR A 67 -2.134 4.743 12.763 1.00 0.00 C ATOM 1117 C THR A 67 -1.831 3.993 14.062 1.00 0.00 C ATOM 1118 O THR A 67 -0.805 4.232 14.697 1.00 0.00 O ATOM 1119 CB THR A 67 -1.121 4.466 11.651 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.522 3.205 11.123 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.288 4.213 12.192 1.00 0.00 C ATOM 0 H THR A 67 -1.373 6.533 13.545 1.00 0.00 H new ATOM 0 HA THR A 67 -3.107 4.379 12.433 1.00 0.00 H new ATOM 0 HB THR A 67 -1.099 5.310 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.435 3.217 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.968 4.022 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.628 5.089 12.745 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.273 3.348 12.855 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.743 3.100 14.418 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.586 2.313 15.629 1.00 0.00 C ATOM 1131 C ASP A 68 -1.833 1.023 15.300 1.00 0.00 C ATOM 1132 O ASP A 68 -2.095 -0.022 15.895 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.946 1.930 16.217 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.992 1.854 17.744 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.814 0.779 18.336 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.227 2.975 18.338 1.00 0.00 O ATOM 0 H ASP A 68 -3.593 2.904 13.889 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.036 2.914 16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.687 2.656 15.882 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.241 0.962 15.811 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.912 1.137 14.354 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.119 -0.007 13.939 1.00 0.00 C ATOM 1144 C LYS A 69 1.276 0.467 13.527 1.00 0.00 C ATOM 1145 O LYS A 69 1.420 1.228 12.571 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.847 -0.796 12.849 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.223 -1.258 13.333 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.763 -2.387 12.452 1.00 0.00 C ATOM 1149 CE LYS A 69 -4.106 -2.898 12.978 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.972 -4.282 13.484 1.00 0.00 N ATOM 0 H LYS A 69 -0.697 2.005 13.863 1.00 0.00 H new ATOM 0 HA LYS A 69 0.012 -0.701 14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.960 -0.176 11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.250 -1.661 12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.154 -1.599 14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.918 -0.418 13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.881 -2.030 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.044 -3.206 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.463 -2.246 13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.851 -2.866 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.892 -4.613 13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.652 -4.904 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.277 -4.303 14.257 1.00 0.00 H new ATOM 1163 N GLY A 70 2.268 -0.001 14.270 1.00 0.00 N ATOM 1164 CA GLY A 70 3.647 0.365 13.993 1.00 0.00 C ATOM 1165 C GLY A 70 4.237 -0.512 12.887 1.00 0.00 C ATOM 1166 O GLY A 70 5.369 -0.297 12.456 1.00 0.00 O ATOM 0 H GLY A 70 2.145 -0.630 15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.696 1.413 13.696 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.243 0.263 14.900 1.00 0.00 H new ATOM 1170 N HIS A 71 3.443 -1.482 12.459 1.00 0.00 N ATOM 1171 CA HIS A 71 3.872 -2.393 11.412 1.00 0.00 C ATOM 1172 C HIS A 71 3.776 -1.695 10.054 1.00 0.00 C ATOM 1173 O HIS A 71 4.275 -2.206 9.052 1.00 0.00 O ATOM 1174 CB HIS A 71 3.074 -3.697 11.465 1.00 0.00 C ATOM 1175 CG HIS A 71 3.925 -4.942 11.376 1.00 0.00 C ATOM 1176 ND1 HIS A 71 3.440 -6.204 11.668 1.00 0.00 N ATOM 1177 CD2 HIS A 71 5.233 -5.104 11.024 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.420 -7.079 11.496 1.00 0.00 C ATOM 1179 NE2 HIS A 71 5.531 -6.395 11.098 1.00 0.00 N ATOM 0 H HIS A 71 2.505 -1.657 12.818 1.00 0.00 H new ATOM 0 HA HIS A 71 4.915 -2.667 11.569 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.504 -3.725 12.394 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.353 -3.703 10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.911 -4.315 10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.351 -8.146 11.645 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.441 -6.808 10.891 1.00 0.00 H new ATOM 1187 N LEU A 72 3.132 -0.537 10.063 1.00 0.00 N ATOM 1188 CA LEU A 72 2.964 0.236 8.845 1.00 0.00 C ATOM 1189 C LEU A 72 4.049 1.313 8.776 1.00 0.00 C ATOM 1190 O LEU A 72 4.392 1.785 7.694 1.00 0.00 O ATOM 1191 CB LEU A 72 1.541 0.791 8.754 1.00 0.00 C ATOM 1192 CG LEU A 72 0.424 -0.149 9.214 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.788 0.642 9.710 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.050 -1.138 8.108 1.00 0.00 C ATOM 0 H LEU A 72 2.720 -0.115 10.896 1.00 0.00 H new ATOM 0 HA LEU A 72 3.090 -0.401 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.489 1.703 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.348 1.074 7.719 1.00 0.00 H new ATOM 0 HG LEU A 72 0.794 -0.733 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.567 -0.049 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.493 1.271 10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.169 1.268 8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.746 -1.794 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.294 -0.590 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.923 -1.735 7.844 1.00 0.00 H new ATOM 1206 N ILE A 73 4.558 1.670 9.946 1.00 0.00 N ATOM 1207 CA ILE A 73 5.597 2.682 10.032 1.00 0.00 C ATOM 1208 C ILE A 73 6.603 2.472 8.899 1.00 0.00 C ATOM 1209 O ILE A 73 6.939 3.413 8.180 1.00 0.00 O ATOM 1210 CB ILE A 73 6.231 2.682 11.425 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.506 3.655 12.357 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.730 2.975 11.345 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.430 4.130 13.480 1.00 0.00 C ATOM 0 H ILE A 73 4.270 1.277 10.842 1.00 0.00 H new ATOM 0 HA ILE A 73 5.171 3.677 9.900 1.00 0.00 H new ATOM 0 HB ILE A 73 6.120 1.685 11.851 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.150 4.513 11.787 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.628 3.170 12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.156 2.969 12.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.218 2.212 10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.886 3.953 10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.890 4.820 14.128 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.765 3.272 14.063 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.294 4.636 13.050 1.00 0.00 H new ATOM 1225 N PRO A 74 7.067 1.200 8.770 1.00 0.00 N ATOM 1226 CA PRO A 74 8.027 0.855 7.736 1.00 0.00 C ATOM 1227 C PRO A 74 7.355 0.785 6.364 1.00 0.00 C ATOM 1228 O PRO A 74 7.950 1.165 5.357 1.00 0.00 O ATOM 1229 CB PRO A 74 8.618 -0.474 8.176 1.00 0.00 C ATOM 1230 CG PRO A 74 7.642 -1.049 9.189 1.00 0.00 C ATOM 1231 CD PRO A 74 6.690 0.062 9.603 1.00 0.00 C ATOM 0 HA PRO A 74 8.809 1.606 7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.741 -1.147 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.604 -0.335 8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.090 -1.883 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.176 -1.437 10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.651 -0.224 9.437 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.791 0.296 10.663 1.00 0.00 H new ATOM 1239 N MET A 75 6.123 0.297 6.368 1.00 0.00 N ATOM 1240 CA MET A 75 5.363 0.172 5.136 1.00 0.00 C ATOM 1241 C MET A 75 4.973 1.547 4.591 1.00 0.00 C ATOM 1242 O MET A 75 4.704 1.693 3.400 1.00 0.00 O ATOM 1243 CB MET A 75 4.099 -0.651 5.397 1.00 0.00 C ATOM 1244 CG MET A 75 4.441 -1.984 6.066 1.00 0.00 C ATOM 1245 SD MET A 75 5.502 -2.946 5.002 1.00 0.00 S ATOM 1246 CE MET A 75 6.896 -3.189 6.090 1.00 0.00 C ATOM 0 H MET A 75 5.632 -0.017 7.205 1.00 0.00 H new ATOM 0 HA MET A 75 5.987 -0.328 4.395 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.417 -0.086 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.580 -0.835 4.456 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.935 -1.805 7.021 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.527 -2.538 6.279 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.443 -4.081 5.786 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.555 -2.323 6.036 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.542 -3.311 7.114 1.00 0.00 H new ATOM 1256 N LEU A 76 4.956 2.521 5.489 1.00 0.00 N ATOM 1257 CA LEU A 76 4.604 3.880 5.113 1.00 0.00 C ATOM 1258 C LEU A 76 5.773 4.514 4.357 1.00 0.00 C ATOM 1259 O LEU A 76 5.566 5.290 3.425 1.00 0.00 O ATOM 1260 CB LEU A 76 4.160 4.678 6.340 1.00 0.00 C ATOM 1261 CG LEU A 76 2.649 4.782 6.563 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.337 5.513 7.870 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.962 5.435 5.362 1.00 0.00 C ATOM 0 H LEU A 76 5.180 2.396 6.476 1.00 0.00 H new ATOM 0 HA LEU A 76 3.749 3.879 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.607 4.225 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.565 5.687 6.259 1.00 0.00 H new ATOM 0 HG LEU A 76 2.246 3.773 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.257 5.573 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.777 4.968 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.755 6.519 7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.889 5.497 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.363 6.438 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.143 4.836 4.469 1.00 0.00 H new ATOM 1275 N GLU A 77 6.975 4.161 4.787 1.00 0.00 N ATOM 1276 CA GLU A 77 8.177 4.686 4.162 1.00 0.00 C ATOM 1277 C GLU A 77 8.287 4.189 2.719 1.00 0.00 C ATOM 1278 O GLU A 77 8.352 4.987 1.786 1.00 0.00 O ATOM 1279 CB GLU A 77 9.423 4.311 4.968 1.00 0.00 C ATOM 1280 CG GLU A 77 9.889 5.483 5.834 1.00 0.00 C ATOM 1281 CD GLU A 77 10.793 6.427 5.039 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.988 6.547 5.348 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.214 7.048 4.068 1.00 0.00 O ATOM 0 H GLU A 77 7.143 3.518 5.561 1.00 0.00 H new ATOM 0 HA GLU A 77 8.108 5.774 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.206 3.450 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.223 4.014 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.024 6.031 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.427 5.106 6.704 1.00 0.00 H new ATOM 1291 N LYS A 78 8.304 2.871 2.582 1.00 0.00 N ATOM 1292 CA LYS A 78 8.405 2.257 1.269 1.00 0.00 C ATOM 1293 C LYS A 78 7.304 2.815 0.364 1.00 0.00 C ATOM 1294 O LYS A 78 7.588 3.359 -0.702 1.00 0.00 O ATOM 1295 CB LYS A 78 8.389 0.732 1.388 1.00 0.00 C ATOM 1296 CG LYS A 78 7.307 0.269 2.366 1.00 0.00 C ATOM 1297 CD LYS A 78 6.271 -0.609 1.663 1.00 0.00 C ATOM 1298 CE LYS A 78 6.745 -2.062 1.586 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.083 -2.137 0.957 1.00 0.00 N ATOM 0 H LYS A 78 8.250 2.212 3.358 1.00 0.00 H new ATOM 0 HA LYS A 78 9.358 2.507 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.212 0.289 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.364 0.380 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.765 -0.287 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.815 1.136 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.323 -0.560 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.089 -0.229 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.782 -2.492 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.032 -2.653 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.318 -3.130 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.080 -1.597 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.793 -1.737 1.603 1.00 0.00 H new ATOM 1312 N ILE A 79 6.071 2.661 0.822 1.00 0.00 N ATOM 1313 CA ILE A 79 4.926 3.142 0.068 1.00 0.00 C ATOM 1314 C ILE A 79 5.104 4.634 -0.223 1.00 0.00 C ATOM 1315 O ILE A 79 4.881 5.082 -1.347 1.00 0.00 O ATOM 1316 CB ILE A 79 3.624 2.809 0.799 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.441 1.296 0.931 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.427 3.473 0.116 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.498 0.956 2.087 1.00 0.00 C ATOM 0 H ILE A 79 5.839 2.209 1.707 1.00 0.00 H new ATOM 0 HA ILE A 79 4.862 2.634 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 79 3.685 3.215 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.042 0.892 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.409 0.822 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.514 3.220 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.561 4.555 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.351 3.118 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.385 -0.126 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.912 1.340 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.524 1.411 1.908 1.00 0.00 H new ATOM 1331 N ARG A 80 5.503 5.362 0.809 1.00 0.00 N ATOM 1332 CA ARG A 80 5.713 6.794 0.678 1.00 0.00 C ATOM 1333 C ARG A 80 6.646 7.088 -0.498 1.00 0.00 C ATOM 1334 O ARG A 80 6.389 7.996 -1.287 1.00 0.00 O ATOM 1335 CB ARG A 80 6.314 7.382 1.957 1.00 0.00 C ATOM 1336 CG ARG A 80 5.216 7.801 2.936 1.00 0.00 C ATOM 1337 CD ARG A 80 5.757 7.881 4.365 1.00 0.00 C ATOM 1338 NE ARG A 80 5.542 9.239 4.913 1.00 0.00 N ATOM 1339 CZ ARG A 80 6.369 10.283 4.694 1.00 0.00 C ATOM 1340 NH1 ARG A 80 7.475 10.134 3.935 1.00 0.00 N ATOM 1341 NH2 ARG A 80 6.079 11.453 5.233 1.00 0.00 N ATOM 0 H ARG A 80 5.687 4.987 1.740 1.00 0.00 H new ATOM 0 HA ARG A 80 4.742 7.257 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.965 6.646 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.934 8.244 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.812 8.769 2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.394 7.086 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.258 7.143 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.820 7.640 4.374 1.00 0.00 H new ATOM 0 HE ARG A 80 4.717 9.396 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.691 9.227 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.094 10.928 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.241 11.557 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.693 12.252 5.078 1.00 0.00 H new ATOM 1354 N ARG A 81 7.711 6.304 -0.578 1.00 0.00 N ATOM 1355 CA ARG A 81 8.684 6.469 -1.645 1.00 0.00 C ATOM 1356 C ARG A 81 7.974 6.602 -2.994 1.00 0.00 C ATOM 1357 O ARG A 81 8.126 7.610 -3.682 1.00 0.00 O ATOM 1358 CB ARG A 81 9.649 5.283 -1.698 1.00 0.00 C ATOM 1359 CG ARG A 81 11.050 5.735 -2.116 1.00 0.00 C ATOM 1360 CD ARG A 81 11.578 4.883 -3.272 1.00 0.00 C ATOM 1361 NE ARG A 81 12.670 4.005 -2.795 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.093 2.900 -3.446 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.516 2.528 -4.608 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.077 2.189 -2.928 1.00 0.00 N ATOM 0 H ARG A 81 7.922 5.553 0.079 1.00 0.00 H new ATOM 0 HA ARG A 81 9.253 7.376 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.694 4.802 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.278 4.539 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.024 6.783 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.728 5.662 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.771 4.280 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.941 5.527 -4.073 1.00 0.00 H new ATOM 0 HE ARG A 81 13.132 4.250 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.755 3.083 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.841 1.692 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.506 2.477 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.408 1.352 -3.407 1.00 0.00 H new ATOM 1377 N ALA A 82 7.216 5.570 -3.332 1.00 0.00 N ATOM 1378 CA ALA A 82 6.483 5.558 -4.586 1.00 0.00 C ATOM 1379 C ALA A 82 5.435 6.673 -4.570 1.00 0.00 C ATOM 1380 O ALA A 82 5.306 7.423 -5.536 1.00 0.00 O ATOM 1381 CB ALA A 82 5.862 4.177 -4.803 1.00 0.00 C ATOM 0 H ALA A 82 7.093 4.735 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 82 7.154 5.748 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.312 4.169 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.650 3.425 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.180 3.952 -3.983 1.00 0.00 H new