USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 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 Single : A 9 LYS NZ :NH3+ 125:sc= -0.0538 (180deg=-0.559) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.534 K(o=-0.53,f=-3.1!) USER MOD Single : A 16 THR OG1 : rot 31:sc= 0.301 USER MOD Single : A 31 MET CE :methyl -103:sc= -2.71 (180deg=-5.45!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.702 X(o=-0.7,f=-0.33) USER MOD Single : A 39 SER OG : rot 180:sc= -0.434 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=-0.00174 X(o=-0.0017,f=-0.0081) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.16) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 150:sc= -0.579 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl -140:sc= -1.26 (180deg=-3.35!) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0173 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -2.668 -15.578 -4.509 1.00 0.00 N ATOM 72 CA ASP A 5 -3.100 -15.893 -5.860 1.00 0.00 C ATOM 73 C ASP A 5 -3.566 -14.611 -6.554 1.00 0.00 C ATOM 74 O ASP A 5 -3.647 -13.556 -5.926 1.00 0.00 O ATOM 75 CB ASP A 5 -4.272 -16.877 -5.849 1.00 0.00 C ATOM 76 CG ASP A 5 -4.177 -17.983 -4.796 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.536 -17.784 -3.626 1.00 0.00 O ATOM 78 OD2 ASP A 5 -3.704 -19.104 -5.225 1.00 0.00 O ATOM 0 HA ASP A 5 -2.258 -16.341 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.194 -16.319 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.349 -17.339 -6.833 1.00 0.00 H new ATOM 84 N ASP A 6 -3.859 -14.745 -7.839 1.00 0.00 N ATOM 85 CA ASP A 6 -4.314 -13.610 -8.624 1.00 0.00 C ATOM 86 C ASP A 6 -5.286 -12.775 -7.789 1.00 0.00 C ATOM 87 O ASP A 6 -5.272 -11.547 -7.858 1.00 0.00 O ATOM 88 CB ASP A 6 -5.049 -14.072 -9.884 1.00 0.00 C ATOM 89 CG ASP A 6 -4.209 -14.061 -11.163 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.027 -13.688 -11.148 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.825 -14.464 -12.223 1.00 0.00 O ATOM 0 H ASP A 6 -3.790 -15.622 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.440 -13.025 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.420 -15.084 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.920 -13.433 -10.033 1.00 0.00 H new ATOM 97 N ILE A 7 -6.108 -13.474 -7.020 1.00 0.00 N ATOM 98 CA ILE A 7 -7.085 -12.812 -6.173 1.00 0.00 C ATOM 99 C ILE A 7 -6.363 -11.864 -5.214 1.00 0.00 C ATOM 100 O ILE A 7 -6.700 -10.684 -5.131 1.00 0.00 O ATOM 101 CB ILE A 7 -7.970 -13.843 -5.470 1.00 0.00 C ATOM 102 CG1 ILE A 7 -8.665 -14.754 -6.484 1.00 0.00 C ATOM 103 CG2 ILE A 7 -8.970 -13.160 -4.534 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.200 -16.203 -6.329 1.00 0.00 C ATOM 0 H ILE A 7 -6.117 -14.493 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.761 -12.203 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.332 -14.476 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.745 -14.698 -6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.453 -14.407 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.587 -13.915 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.430 -12.590 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.606 -12.488 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.709 -16.829 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.123 -16.259 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.435 -16.555 -5.325 1.00 0.00 H new ATOM 116 N ALA A 8 -5.384 -12.416 -4.513 1.00 0.00 N ATOM 117 CA ALA A 8 -4.612 -11.635 -3.562 1.00 0.00 C ATOM 118 C ALA A 8 -4.218 -10.303 -4.204 1.00 0.00 C ATOM 119 O ALA A 8 -4.408 -9.243 -3.609 1.00 0.00 O ATOM 120 CB ALA A 8 -3.396 -12.443 -3.104 1.00 0.00 C ATOM 0 H ALA A 8 -5.108 -13.395 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.207 -11.412 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.817 -11.856 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.730 -13.365 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.773 -12.683 -3.966 1.00 0.00 H new ATOM 126 N LYS A 9 -3.677 -10.400 -5.409 1.00 0.00 N ATOM 127 CA LYS A 9 -3.255 -9.216 -6.138 1.00 0.00 C ATOM 128 C LYS A 9 -4.475 -8.342 -6.432 1.00 0.00 C ATOM 129 O LYS A 9 -4.469 -7.146 -6.145 1.00 0.00 O ATOM 130 CB LYS A 9 -2.465 -9.610 -7.388 1.00 0.00 C ATOM 131 CG LYS A 9 -1.046 -9.040 -7.342 1.00 0.00 C ATOM 132 CD LYS A 9 -0.152 -9.867 -6.416 1.00 0.00 C ATOM 133 CE LYS A 9 0.204 -11.211 -7.054 1.00 0.00 C ATOM 134 NZ LYS A 9 1.026 -11.008 -8.267 1.00 0.00 N ATOM 0 H LYS A 9 -3.521 -11.281 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.573 -8.619 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.422 -10.696 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.979 -9.245 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.623 -9.028 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.076 -8.007 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.760 -9.313 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.661 -10.034 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.748 -11.827 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.707 -11.751 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.908 -11.552 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.498 -11.331 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.250 -9.998 -8.369 1.00 0.00 H new ATOM 147 N ARG A 10 -5.492 -8.973 -7.000 1.00 0.00 N ATOM 148 CA ARG A 10 -6.717 -8.267 -7.336 1.00 0.00 C ATOM 149 C ARG A 10 -7.276 -7.557 -6.101 1.00 0.00 C ATOM 150 O ARG A 10 -7.724 -6.414 -6.187 1.00 0.00 O ATOM 151 CB ARG A 10 -7.773 -9.227 -7.886 1.00 0.00 C ATOM 152 CG ARG A 10 -8.498 -8.616 -9.087 1.00 0.00 C ATOM 153 CD ARG A 10 -9.847 -9.300 -9.320 1.00 0.00 C ATOM 154 NE ARG A 10 -10.946 -8.325 -9.142 1.00 0.00 N ATOM 155 CZ ARG A 10 -12.246 -8.599 -9.379 1.00 0.00 C ATOM 156 NH1 ARG A 10 -12.622 -9.823 -9.806 1.00 0.00 N ATOM 157 NH2 ARG A 10 -13.145 -7.651 -9.186 1.00 0.00 N ATOM 0 H ARG A 10 -5.493 -9.965 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.476 -7.532 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.300 -10.164 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.494 -9.466 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.651 -7.550 -8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.878 -8.713 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.882 -9.721 -10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.969 -10.129 -8.623 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.706 -7.387 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.921 -10.550 -9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.607 -10.021 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.852 -6.729 -8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.132 -7.841 -9.360 1.00 0.00 H new ATOM 170 N LYS A 11 -7.233 -8.264 -4.981 1.00 0.00 N ATOM 171 CA LYS A 11 -7.730 -7.716 -3.731 1.00 0.00 C ATOM 172 C LYS A 11 -7.014 -6.396 -3.437 1.00 0.00 C ATOM 173 O LYS A 11 -7.641 -5.429 -3.008 1.00 0.00 O ATOM 174 CB LYS A 11 -7.605 -8.747 -2.607 1.00 0.00 C ATOM 175 CG LYS A 11 -8.069 -8.162 -1.272 1.00 0.00 C ATOM 176 CD LYS A 11 -7.351 -8.833 -0.099 1.00 0.00 C ATOM 177 CE LYS A 11 -5.976 -8.202 0.135 1.00 0.00 C ATOM 178 NZ LYS A 11 -4.978 -9.244 0.464 1.00 0.00 N ATOM 0 H LYS A 11 -6.862 -9.212 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.794 -7.491 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.200 -9.628 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.569 -9.076 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.877 -7.089 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.146 -8.295 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.956 -8.741 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.237 -9.898 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.662 -7.658 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.035 -7.477 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.051 -8.800 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.271 -9.745 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.910 -9.920 -0.323 1.00 0.00 H new ATOM 191 N ILE A 12 -5.712 -6.400 -3.680 1.00 0.00 N ATOM 192 CA ILE A 12 -4.904 -5.214 -3.447 1.00 0.00 C ATOM 193 C ILE A 12 -5.596 -4.000 -4.071 1.00 0.00 C ATOM 194 O ILE A 12 -5.806 -2.990 -3.402 1.00 0.00 O ATOM 195 CB ILE A 12 -3.475 -5.433 -3.948 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.472 -5.354 -2.795 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.133 -4.454 -5.073 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.285 -6.723 -2.137 1.00 0.00 C ATOM 0 H ILE A 12 -5.196 -7.205 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.816 -5.016 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.409 -6.438 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.514 -4.991 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.820 -4.635 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.112 -4.631 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.821 -4.601 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.222 -3.432 -4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.567 -6.639 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.241 -7.072 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.914 -7.434 -2.875 1.00 0.00 H new ATOM 210 N ARG A 13 -5.931 -4.140 -5.345 1.00 0.00 N ATOM 211 CA ARG A 13 -6.594 -3.068 -6.066 1.00 0.00 C ATOM 212 C ARG A 13 -8.052 -2.949 -5.617 1.00 0.00 C ATOM 213 O ARG A 13 -8.568 -1.843 -5.458 1.00 0.00 O ATOM 214 CB ARG A 13 -6.551 -3.310 -7.576 1.00 0.00 C ATOM 215 CG ARG A 13 -5.913 -2.125 -8.304 1.00 0.00 C ATOM 216 CD ARG A 13 -5.895 -2.356 -9.816 1.00 0.00 C ATOM 217 NE ARG A 13 -4.510 -2.257 -10.327 1.00 0.00 N ATOM 218 CZ ARG A 13 -4.127 -2.654 -11.559 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.024 -3.182 -12.419 1.00 0.00 N ATOM 220 NH2 ARG A 13 -2.862 -2.519 -11.911 1.00 0.00 N ATOM 0 H ARG A 13 -5.755 -4.980 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.064 -2.142 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.985 -4.218 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.562 -3.470 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.467 -1.214 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.895 -1.977 -7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.307 -3.338 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.528 -1.620 -10.312 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.800 -1.864 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.000 -3.283 -12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.726 -3.479 -13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.190 -2.120 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.556 -2.814 -12.838 1.00 0.00 H new ATOM 233 N PHE A 14 -8.675 -4.102 -5.426 1.00 0.00 N ATOM 234 CA PHE A 14 -10.063 -4.141 -4.998 1.00 0.00 C ATOM 235 C PHE A 14 -10.223 -3.546 -3.598 1.00 0.00 C ATOM 236 O PHE A 14 -11.331 -3.210 -3.184 1.00 0.00 O ATOM 237 CB PHE A 14 -10.480 -5.613 -4.965 1.00 0.00 C ATOM 238 CG PHE A 14 -11.986 -5.837 -5.114 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.539 -5.939 -6.353 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.772 -5.934 -4.009 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.937 -6.147 -6.491 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.170 -6.141 -4.147 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.723 -6.244 -5.386 1.00 0.00 C ATOM 0 H PHE A 14 -8.244 -5.017 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.679 -3.559 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.963 -6.144 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.149 -6.053 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.915 -5.862 -7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.333 -5.854 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.376 -6.228 -7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.794 -6.217 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.786 -6.403 -5.492 1.00 0.00 H new ATOM 253 N GLN A 15 -9.098 -3.434 -2.906 1.00 0.00 N ATOM 254 CA GLN A 15 -9.099 -2.885 -1.560 1.00 0.00 C ATOM 255 C GLN A 15 -9.014 -1.358 -1.609 1.00 0.00 C ATOM 256 O GLN A 15 -9.738 -0.670 -0.892 1.00 0.00 O ATOM 257 CB GLN A 15 -7.956 -3.471 -0.729 1.00 0.00 C ATOM 258 CG GLN A 15 -8.478 -4.513 0.263 1.00 0.00 C ATOM 259 CD GLN A 15 -8.269 -4.050 1.706 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.267 -2.869 2.012 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.095 -5.043 2.573 1.00 0.00 N ATOM 0 H GLN A 15 -8.180 -3.714 -3.252 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.036 -3.162 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.219 -3.929 -1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.447 -2.672 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.538 -4.691 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.964 -5.461 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.108 -6.010 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.949 -4.837 3.561 1.00 0.00 H new ATOM 270 N THR A 16 -8.124 -0.874 -2.463 1.00 0.00 N ATOM 271 CA THR A 16 -7.935 0.559 -2.615 1.00 0.00 C ATOM 272 C THR A 16 -9.252 1.231 -3.008 1.00 0.00 C ATOM 273 O THR A 16 -10.315 0.616 -2.932 1.00 0.00 O ATOM 274 CB THR A 16 -6.812 0.783 -3.629 1.00 0.00 C ATOM 275 OG1 THR A 16 -7.090 -0.153 -4.668 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.445 0.351 -3.094 1.00 0.00 C ATOM 0 H THR A 16 -7.526 -1.449 -3.057 1.00 0.00 H new ATOM 0 HA THR A 16 -7.639 1.021 -1.673 1.00 0.00 H new ATOM 0 HB THR A 16 -6.777 1.837 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.057 -0.298 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.684 0.531 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.207 0.924 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.469 -0.711 -2.849 1.00 0.00 H new ATOM 284 N ARG A 17 -9.139 2.485 -3.420 1.00 0.00 N ATOM 285 CA ARG A 17 -10.308 3.248 -3.825 1.00 0.00 C ATOM 286 C ARG A 17 -9.898 4.658 -4.257 1.00 0.00 C ATOM 287 O ARG A 17 -8.960 5.232 -3.705 1.00 0.00 O ATOM 288 CB ARG A 17 -11.324 3.347 -2.685 1.00 0.00 C ATOM 289 CG ARG A 17 -12.641 3.950 -3.176 1.00 0.00 C ATOM 290 CD ARG A 17 -13.687 3.966 -2.059 1.00 0.00 C ATOM 291 NE ARG A 17 -15.043 4.098 -2.636 1.00 0.00 N ATOM 292 CZ ARG A 17 -15.614 5.276 -2.964 1.00 0.00 C ATOM 293 NH1 ARG A 17 -14.951 6.436 -2.773 1.00 0.00 N ATOM 294 NH2 ARG A 17 -16.832 5.277 -3.474 1.00 0.00 N ATOM 0 H ARG A 17 -8.256 2.992 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.770 2.727 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.506 2.356 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.916 3.960 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.469 4.965 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.016 3.374 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.620 3.049 -1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.491 4.794 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.580 3.245 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.011 6.427 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.390 7.322 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.327 4.396 -3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.278 6.159 -3.727 1.00 0.00 H new ATOM 307 N ARG A 18 -10.621 5.174 -5.240 1.00 0.00 N ATOM 308 CA ARG A 18 -10.344 6.506 -5.752 1.00 0.00 C ATOM 309 C ARG A 18 -11.057 7.560 -4.902 1.00 0.00 C ATOM 310 O ARG A 18 -11.625 8.512 -5.435 1.00 0.00 O ATOM 311 CB ARG A 18 -10.798 6.641 -7.207 1.00 0.00 C ATOM 312 CG ARG A 18 -12.175 6.006 -7.413 1.00 0.00 C ATOM 313 CD ARG A 18 -12.866 6.585 -8.649 1.00 0.00 C ATOM 314 NE ARG A 18 -12.843 8.064 -8.596 1.00 0.00 N ATOM 315 CZ ARG A 18 -13.665 8.807 -7.824 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.584 8.214 -7.034 1.00 0.00 N ATOM 317 NH2 ARG A 18 -13.556 10.122 -7.855 1.00 0.00 N ATOM 0 H ARG A 18 -11.398 4.695 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.267 6.663 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.834 7.695 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.071 6.163 -7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.069 4.927 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.794 6.177 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.365 6.237 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.896 6.231 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.164 8.553 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.662 7.197 -7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.201 8.783 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.859 10.562 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.169 10.698 -7.278 1.00 0.00 H new ATOM 330 N GLY A 19 -11.003 7.355 -3.594 1.00 0.00 N ATOM 331 CA GLY A 19 -11.636 8.276 -2.666 1.00 0.00 C ATOM 332 C GLY A 19 -11.219 9.719 -2.955 1.00 0.00 C ATOM 333 O GLY A 19 -11.986 10.651 -2.715 1.00 0.00 O ATOM 0 H GLY A 19 -10.531 6.565 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.720 8.185 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.363 8.013 -1.644 1.00 0.00 H new ATOM 337 N LEU A 20 -10.005 9.859 -3.467 1.00 0.00 N ATOM 338 CA LEU A 20 -9.477 11.173 -3.792 1.00 0.00 C ATOM 339 C LEU A 20 -8.912 11.154 -5.213 1.00 0.00 C ATOM 340 O LEU A 20 -8.695 10.086 -5.785 1.00 0.00 O ATOM 341 CB LEU A 20 -8.467 11.621 -2.734 1.00 0.00 C ATOM 342 CG LEU A 20 -9.031 12.442 -1.573 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.961 13.545 -2.082 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.719 11.540 -0.547 1.00 0.00 C ATOM 0 H LEU A 20 -9.372 9.084 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.273 11.918 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.983 10.735 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.692 12.209 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.200 12.931 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.348 14.113 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.407 14.211 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.791 13.098 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.111 12.149 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.538 11.003 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.999 10.824 -0.151 1.00 0.00 H new ATOM 356 N LEU A 21 -8.689 12.348 -5.744 1.00 0.00 N ATOM 357 CA LEU A 21 -8.152 12.481 -7.088 1.00 0.00 C ATOM 358 C LEU A 21 -6.744 11.885 -7.132 1.00 0.00 C ATOM 359 O LEU A 21 -6.558 10.756 -7.582 1.00 0.00 O ATOM 360 CB LEU A 21 -8.218 13.939 -7.548 1.00 0.00 C ATOM 361 CG LEU A 21 -7.339 14.304 -8.746 1.00 0.00 C ATOM 362 CD1 LEU A 21 -7.963 13.814 -10.054 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.050 15.806 -8.776 1.00 0.00 C ATOM 0 H LEU A 21 -8.870 13.232 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.758 11.918 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.253 14.174 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.938 14.577 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.382 13.794 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.318 14.087 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.075 12.730 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.942 14.276 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.423 16.039 -9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.988 16.356 -8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.532 16.095 -7.862 1.00 0.00 H new ATOM 375 N GLU A 22 -5.788 12.671 -6.658 1.00 0.00 N ATOM 376 CA GLU A 22 -4.402 12.235 -6.637 1.00 0.00 C ATOM 377 C GLU A 22 -4.309 10.787 -6.154 1.00 0.00 C ATOM 378 O GLU A 22 -3.592 9.978 -6.742 1.00 0.00 O ATOM 379 CB GLU A 22 -3.550 13.160 -5.767 1.00 0.00 C ATOM 380 CG GLU A 22 -2.229 13.503 -6.460 1.00 0.00 C ATOM 381 CD GLU A 22 -2.453 14.489 -7.608 1.00 0.00 C ATOM 382 OE1 GLU A 22 -3.365 15.326 -7.538 1.00 0.00 O ATOM 383 OE2 GLU A 22 -1.638 14.364 -8.600 1.00 0.00 O ATOM 0 H GLU A 22 -5.946 13.607 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.010 12.284 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.102 14.076 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.348 12.680 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.536 13.932 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.768 12.593 -6.842 1.00 0.00 H new ATOM 391 N LEU A 23 -5.042 10.504 -5.088 1.00 0.00 N ATOM 392 CA LEU A 23 -5.051 9.167 -4.519 1.00 0.00 C ATOM 393 C LEU A 23 -5.357 8.150 -5.621 1.00 0.00 C ATOM 394 O LEU A 23 -4.570 7.237 -5.864 1.00 0.00 O ATOM 395 CB LEU A 23 -6.013 9.096 -3.332 1.00 0.00 C ATOM 396 CG LEU A 23 -5.569 8.218 -2.160 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.509 7.208 -2.602 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.089 9.074 -0.985 1.00 0.00 C ATOM 0 H LEU A 23 -5.634 11.178 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.069 8.917 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.176 10.108 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.975 8.729 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.432 7.649 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.211 6.597 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.920 6.567 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.639 7.739 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.779 8.426 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.245 9.687 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.901 9.720 -0.650 1.00 0.00 H new ATOM 410 N ASP A 24 -6.503 8.343 -6.258 1.00 0.00 N ATOM 411 CA ASP A 24 -6.923 7.455 -7.328 1.00 0.00 C ATOM 412 C ASP A 24 -5.746 7.211 -8.274 1.00 0.00 C ATOM 413 O ASP A 24 -5.552 6.095 -8.755 1.00 0.00 O ATOM 414 CB ASP A 24 -8.063 8.072 -8.140 1.00 0.00 C ATOM 415 CG ASP A 24 -8.492 7.267 -9.368 1.00 0.00 C ATOM 416 OD1 ASP A 24 -8.916 7.832 -10.387 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.376 5.987 -9.249 1.00 0.00 O ATOM 0 H ASP A 24 -7.153 9.102 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.265 6.523 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.927 8.198 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.760 9.068 -8.465 1.00 0.00 H new ATOM 423 N LEU A 25 -4.991 8.273 -8.514 1.00 0.00 N ATOM 424 CA LEU A 25 -3.838 8.188 -9.394 1.00 0.00 C ATOM 425 C LEU A 25 -2.700 7.467 -8.669 1.00 0.00 C ATOM 426 O LEU A 25 -2.042 6.602 -9.244 1.00 0.00 O ATOM 427 CB LEU A 25 -3.456 9.576 -9.912 1.00 0.00 C ATOM 428 CG LEU A 25 -4.616 10.541 -10.163 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.130 11.815 -10.858 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.740 9.856 -10.944 1.00 0.00 C ATOM 0 H LEU A 25 -5.155 9.197 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.077 7.598 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.776 10.035 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.902 9.455 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.028 10.838 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.975 12.483 -11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.391 12.313 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.677 11.557 -11.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.552 10.564 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.358 9.512 -11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.112 9.004 -10.375 1.00 0.00 H new ATOM 442 N ILE A 26 -2.502 7.851 -7.416 1.00 0.00 N ATOM 443 CA ILE A 26 -1.455 7.253 -6.607 1.00 0.00 C ATOM 444 C ILE A 26 -1.480 5.734 -6.790 1.00 0.00 C ATOM 445 O ILE A 26 -0.507 5.146 -7.259 1.00 0.00 O ATOM 446 CB ILE A 26 -1.584 7.698 -5.149 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.232 9.179 -4.995 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.745 6.810 -4.228 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.812 9.749 -3.699 1.00 0.00 C ATOM 0 H ILE A 26 -3.050 8.569 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.475 7.599 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.625 7.581 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.149 9.301 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.618 9.739 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.855 7.148 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.085 5.778 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.303 6.871 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.547 10.803 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.897 9.647 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.406 9.203 -2.848 1.00 0.00 H new ATOM 461 N PHE A 27 -2.603 5.142 -6.410 1.00 0.00 N ATOM 462 CA PHE A 27 -2.768 3.703 -6.527 1.00 0.00 C ATOM 463 C PHE A 27 -2.478 3.232 -7.954 1.00 0.00 C ATOM 464 O PHE A 27 -2.230 2.049 -8.182 1.00 0.00 O ATOM 465 CB PHE A 27 -4.226 3.391 -6.185 1.00 0.00 C ATOM 466 CG PHE A 27 -4.584 3.623 -4.715 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.753 3.178 -3.735 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.732 4.274 -4.390 1.00 0.00 C ATOM 469 CE1 PHE A 27 -4.085 3.394 -2.371 1.00 0.00 C ATOM 470 CE2 PHE A 27 -6.065 4.490 -3.027 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.234 4.045 -2.046 1.00 0.00 C ATOM 0 H PHE A 27 -3.408 5.633 -6.021 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.075 3.193 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.874 4.007 -6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.434 2.352 -6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.841 2.661 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.391 4.627 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.425 3.041 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.977 5.007 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.487 4.209 -1.009 1.00 0.00 H new ATOM 481 N GLY A 28 -2.521 4.182 -8.876 1.00 0.00 N ATOM 482 CA GLY A 28 -2.266 3.879 -10.274 1.00 0.00 C ATOM 483 C GLY A 28 -0.796 3.520 -10.499 1.00 0.00 C ATOM 484 O GLY A 28 -0.489 2.462 -11.047 1.00 0.00 O ATOM 0 H GLY A 28 -2.729 5.162 -8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.899 3.050 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.533 4.738 -10.890 1.00 0.00 H new ATOM 488 N ARG A 29 0.073 4.420 -10.064 1.00 0.00 N ATOM 489 CA ARG A 29 1.503 4.211 -10.211 1.00 0.00 C ATOM 490 C ARG A 29 2.041 3.382 -9.043 1.00 0.00 C ATOM 491 O ARG A 29 2.775 2.416 -9.248 1.00 0.00 O ATOM 492 CB ARG A 29 2.252 5.544 -10.269 1.00 0.00 C ATOM 493 CG ARG A 29 2.450 6.000 -11.716 1.00 0.00 C ATOM 494 CD ARG A 29 3.937 6.138 -12.048 1.00 0.00 C ATOM 495 NE ARG A 29 4.108 6.447 -13.485 1.00 0.00 N ATOM 496 CZ ARG A 29 5.270 6.300 -14.158 1.00 0.00 C ATOM 497 NH1 ARG A 29 6.374 5.848 -13.528 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.309 6.606 -15.442 1.00 0.00 N ATOM 0 H ARG A 29 -0.186 5.296 -9.610 1.00 0.00 H new ATOM 0 HA ARG A 29 1.665 3.676 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.695 6.302 -9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.221 5.442 -9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.987 5.283 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.949 6.955 -11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.382 6.928 -11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.460 5.214 -11.801 1.00 0.00 H new ATOM 0 HE ARG A 29 3.298 6.793 -13.999 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.335 5.614 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.247 5.740 -14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.470 6.947 -15.911 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.178 6.501 -15.965 1.00 0.00 H new ATOM 511 N PHE A 30 1.656 3.790 -7.843 1.00 0.00 N ATOM 512 CA PHE A 30 2.090 3.097 -6.642 1.00 0.00 C ATOM 513 C PHE A 30 2.114 1.583 -6.861 1.00 0.00 C ATOM 514 O PHE A 30 3.179 0.968 -6.860 1.00 0.00 O ATOM 515 CB PHE A 30 1.076 3.426 -5.544 1.00 0.00 C ATOM 516 CG PHE A 30 1.109 2.461 -4.357 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.276 2.237 -3.695 1.00 0.00 C ATOM 518 CD2 PHE A 30 -0.028 1.827 -3.965 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.306 1.341 -2.593 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.002 0.931 -2.863 1.00 0.00 C ATOM 521 CZ PHE A 30 1.168 0.707 -2.201 1.00 0.00 C ATOM 0 H PHE A 30 1.048 4.592 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 30 3.098 3.414 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.263 4.437 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.075 3.421 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.179 2.740 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.954 2.005 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.232 1.163 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.901 0.428 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.191 0.025 -1.364 1.00 0.00 H new ATOM 531 N MET A 31 0.926 1.025 -7.043 1.00 0.00 N ATOM 532 CA MET A 31 0.797 -0.406 -7.263 1.00 0.00 C ATOM 533 C MET A 31 1.777 -0.886 -8.335 1.00 0.00 C ATOM 534 O MET A 31 2.546 -1.818 -8.105 1.00 0.00 O ATOM 535 CB MET A 31 -0.634 -0.728 -7.697 1.00 0.00 C ATOM 536 CG MET A 31 -1.234 -1.836 -6.828 1.00 0.00 C ATOM 537 SD MET A 31 -2.871 -1.371 -6.289 1.00 0.00 S ATOM 538 CE MET A 31 -2.467 -0.002 -5.218 1.00 0.00 C ATOM 0 H MET A 31 0.044 1.538 -7.043 1.00 0.00 H new ATOM 0 HA MET A 31 1.028 -0.921 -6.330 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.250 0.169 -7.626 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.640 -1.037 -8.742 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.279 -2.768 -7.392 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.595 -2.017 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.532 -0.322 -4.178 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.454 0.339 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.168 0.815 -5.391 1.00 0.00 H new ATOM 548 N GLU A 32 1.717 -0.228 -9.483 1.00 0.00 N ATOM 549 CA GLU A 32 2.589 -0.577 -10.592 1.00 0.00 C ATOM 550 C GLU A 32 4.021 -0.786 -10.095 1.00 0.00 C ATOM 551 O GLU A 32 4.789 -1.533 -10.699 1.00 0.00 O ATOM 552 CB GLU A 32 2.539 0.491 -11.686 1.00 0.00 C ATOM 553 CG GLU A 32 2.432 -0.148 -13.072 1.00 0.00 C ATOM 554 CD GLU A 32 2.766 0.864 -14.170 1.00 0.00 C ATOM 555 OE1 GLU A 32 2.481 2.061 -14.017 1.00 0.00 O ATOM 556 OE2 GLU A 32 3.343 0.367 -15.211 1.00 0.00 O ATOM 0 H GLU A 32 1.078 0.545 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 32 2.235 -1.512 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.686 1.149 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.434 1.111 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.111 -0.998 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.423 -0.533 -13.222 1.00 0.00 H new ATOM 564 N LYS A 33 4.338 -0.111 -8.999 1.00 0.00 N ATOM 565 CA LYS A 33 5.664 -0.214 -8.414 1.00 0.00 C ATOM 566 C LYS A 33 5.664 -1.315 -7.352 1.00 0.00 C ATOM 567 O LYS A 33 6.524 -2.195 -7.367 1.00 0.00 O ATOM 568 CB LYS A 33 6.124 1.147 -7.888 1.00 0.00 C ATOM 569 CG LYS A 33 7.542 1.468 -8.365 1.00 0.00 C ATOM 570 CD LYS A 33 7.520 2.149 -9.735 1.00 0.00 C ATOM 571 CE LYS A 33 7.768 3.652 -9.604 1.00 0.00 C ATOM 572 NZ LYS A 33 6.490 4.375 -9.419 1.00 0.00 N ATOM 0 H LYS A 33 3.699 0.509 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 33 6.393 -0.501 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.438 1.923 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.094 1.149 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.035 2.117 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.127 0.550 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.281 1.706 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.557 1.976 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.427 3.845 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.276 4.022 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.677 5.394 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.873 4.205 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.020 4.034 -8.556 1.00 0.00 H new ATOM 585 N GLU A 34 4.692 -1.231 -6.457 1.00 0.00 N ATOM 586 CA GLU A 34 4.570 -2.209 -5.390 1.00 0.00 C ATOM 587 C GLU A 34 3.984 -3.515 -5.932 1.00 0.00 C ATOM 588 O GLU A 34 4.699 -4.505 -6.080 1.00 0.00 O ATOM 589 CB GLU A 34 3.721 -1.664 -4.240 1.00 0.00 C ATOM 590 CG GLU A 34 4.601 -1.029 -3.162 1.00 0.00 C ATOM 591 CD GLU A 34 5.421 0.129 -3.734 1.00 0.00 C ATOM 592 OE1 GLU A 34 4.894 1.240 -3.897 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.647 -0.157 -4.014 1.00 0.00 O ATOM 0 H GLU A 34 3.981 -0.500 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 34 5.566 -2.415 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.017 -0.925 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.131 -2.471 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.977 -0.668 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.270 -1.781 -2.744 1.00 0.00 H new ATOM 601 N PHE A 35 2.690 -3.474 -6.213 1.00 0.00 N ATOM 602 CA PHE A 35 2.001 -4.642 -6.736 1.00 0.00 C ATOM 603 C PHE A 35 2.858 -5.364 -7.778 1.00 0.00 C ATOM 604 O PHE A 35 2.695 -6.563 -7.997 1.00 0.00 O ATOM 605 CB PHE A 35 0.719 -4.143 -7.405 1.00 0.00 C ATOM 606 CG PHE A 35 0.345 -4.903 -8.678 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.953 -4.598 -9.856 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.596 -5.884 -8.633 1.00 0.00 C ATOM 609 CE1 PHE A 35 0.606 -5.303 -11.038 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.943 -6.590 -9.815 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.335 -6.285 -10.993 1.00 0.00 C ATOM 0 H PHE A 35 2.101 -2.651 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 35 1.792 -5.343 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.103 -4.220 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.835 -3.086 -7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.700 -3.819 -9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.079 -6.126 -7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.089 -5.060 -11.973 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.690 -7.369 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.599 -6.822 -11.892 1.00 0.00 H new ATOM 621 N GLU A 36 3.752 -4.603 -8.392 1.00 0.00 N ATOM 622 CA GLU A 36 4.635 -5.155 -9.405 1.00 0.00 C ATOM 623 C GLU A 36 5.007 -6.598 -9.056 1.00 0.00 C ATOM 624 O GLU A 36 4.701 -7.521 -9.808 1.00 0.00 O ATOM 625 CB GLU A 36 5.886 -4.291 -9.572 1.00 0.00 C ATOM 626 CG GLU A 36 6.635 -4.653 -10.856 1.00 0.00 C ATOM 627 CD GLU A 36 6.127 -3.826 -12.039 1.00 0.00 C ATOM 628 OE1 GLU A 36 6.401 -2.619 -12.114 1.00 0.00 O ATOM 629 OE2 GLU A 36 5.425 -4.480 -12.901 1.00 0.00 O ATOM 0 H GLU A 36 3.884 -3.609 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 36 4.106 -5.157 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.605 -3.238 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.543 -4.426 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.703 -4.481 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.508 -5.715 -11.068 1.00 0.00 H new ATOM 637 N HIS A 37 5.663 -6.746 -7.914 1.00 0.00 N ATOM 638 CA HIS A 37 6.081 -8.060 -7.456 1.00 0.00 C ATOM 639 C HIS A 37 6.033 -8.110 -5.928 1.00 0.00 C ATOM 640 O HIS A 37 7.023 -8.449 -5.283 1.00 0.00 O ATOM 641 CB HIS A 37 7.458 -8.419 -8.018 1.00 0.00 C ATOM 642 CG HIS A 37 7.543 -9.813 -8.592 1.00 0.00 C ATOM 643 ND1 HIS A 37 8.744 -10.414 -8.926 1.00 0.00 N ATOM 644 CD2 HIS A 37 6.565 -10.717 -8.886 1.00 0.00 C ATOM 645 CE1 HIS A 37 8.488 -11.625 -9.400 1.00 0.00 C ATOM 646 NE2 HIS A 37 7.137 -11.811 -9.374 1.00 0.00 N ATOM 0 H HIS A 37 5.915 -5.978 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 37 5.392 -8.816 -7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.720 -7.701 -8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.200 -8.317 -7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.505 -10.568 -8.746 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.221 -12.339 -9.746 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.647 -12.652 -9.679 1.00 0.00 H new ATOM 654 N LEU A 38 4.870 -7.767 -5.393 1.00 0.00 N ATOM 655 CA LEU A 38 4.680 -7.769 -3.953 1.00 0.00 C ATOM 656 C LEU A 38 5.025 -9.152 -3.398 1.00 0.00 C ATOM 657 O LEU A 38 5.605 -9.979 -4.101 1.00 0.00 O ATOM 658 CB LEU A 38 3.267 -7.300 -3.598 1.00 0.00 C ATOM 659 CG LEU A 38 3.023 -5.791 -3.671 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.535 -5.469 -3.526 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.874 -5.048 -2.638 1.00 0.00 C ATOM 0 H LEU A 38 4.050 -7.486 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 38 5.356 -7.057 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.563 -7.795 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.037 -7.637 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 38 3.333 -5.441 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.389 -4.390 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.978 -5.952 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.176 -5.835 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.682 -3.978 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.617 -5.396 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.930 -5.241 -2.830 1.00 0.00 H new ATOM 673 N SER A 39 4.655 -9.362 -2.144 1.00 0.00 N ATOM 674 CA SER A 39 4.918 -10.631 -1.487 1.00 0.00 C ATOM 675 C SER A 39 4.035 -10.772 -0.246 1.00 0.00 C ATOM 676 O SER A 39 3.588 -9.774 0.319 1.00 0.00 O ATOM 677 CB SER A 39 6.394 -10.757 -1.105 1.00 0.00 C ATOM 678 OG SER A 39 7.189 -9.735 -1.700 1.00 0.00 O ATOM 0 H SER A 39 4.174 -8.674 -1.564 1.00 0.00 H new ATOM 0 HA SER A 39 4.681 -11.433 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.493 -10.708 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.767 -11.733 -1.416 1.00 0.00 H new ATOM 0 HG SER A 39 8.124 -9.850 -1.431 1.00 0.00 H new ATOM 684 N ASP A 40 3.809 -12.018 0.142 1.00 0.00 N ATOM 685 CA ASP A 40 2.986 -12.302 1.306 1.00 0.00 C ATOM 686 C ASP A 40 3.280 -11.271 2.397 1.00 0.00 C ATOM 687 O ASP A 40 2.362 -10.663 2.945 1.00 0.00 O ATOM 688 CB ASP A 40 3.294 -13.690 1.872 1.00 0.00 C ATOM 689 CG ASP A 40 2.234 -14.755 1.583 1.00 0.00 C ATOM 690 OD1 ASP A 40 2.491 -15.733 0.866 1.00 0.00 O ATOM 691 OD2 ASP A 40 1.088 -14.548 2.138 1.00 0.00 O ATOM 0 H ASP A 40 4.181 -12.843 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 40 1.941 -12.261 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.247 -14.028 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.419 -13.606 2.952 1.00 0.00 H new ATOM 697 N LYS A 41 4.564 -11.105 2.679 1.00 0.00 N ATOM 698 CA LYS A 41 4.991 -10.157 3.695 1.00 0.00 C ATOM 699 C LYS A 41 4.323 -8.805 3.437 1.00 0.00 C ATOM 700 O LYS A 41 3.645 -8.267 4.311 1.00 0.00 O ATOM 701 CB LYS A 41 6.518 -10.088 3.755 1.00 0.00 C ATOM 702 CG LYS A 41 6.984 -9.343 5.007 1.00 0.00 C ATOM 703 CD LYS A 41 8.248 -9.981 5.587 1.00 0.00 C ATOM 704 CE LYS A 41 8.781 -9.168 6.768 1.00 0.00 C ATOM 705 NZ LYS A 41 10.059 -9.735 7.253 1.00 0.00 N ATOM 0 H LYS A 41 5.323 -11.611 2.222 1.00 0.00 H new ATOM 0 HA LYS A 41 4.671 -10.487 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.932 -11.096 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.898 -9.585 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.179 -8.299 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.192 -9.352 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.030 -10.999 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.013 -10.049 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.928 -8.131 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.048 -9.165 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.407 -9.171 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.909 -10.717 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.761 -9.716 6.486 1.00 0.00 H new ATOM 718 N GLU A 42 4.538 -8.295 2.233 1.00 0.00 N ATOM 719 CA GLU A 42 3.966 -7.016 1.849 1.00 0.00 C ATOM 720 C GLU A 42 2.438 -7.095 1.852 1.00 0.00 C ATOM 721 O GLU A 42 1.765 -6.167 2.298 1.00 0.00 O ATOM 722 CB GLU A 42 4.489 -6.569 0.483 1.00 0.00 C ATOM 723 CG GLU A 42 6.019 -6.529 0.467 1.00 0.00 C ATOM 724 CD GLU A 42 6.534 -5.727 -0.730 1.00 0.00 C ATOM 725 OE1 GLU A 42 6.294 -4.514 -0.813 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.207 -6.409 -1.594 1.00 0.00 O ATOM 0 H GLU A 42 5.101 -8.745 1.511 1.00 0.00 H new ATOM 0 HA GLU A 42 4.273 -6.269 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.132 -7.251 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.093 -5.582 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.384 -6.083 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.413 -7.545 0.425 1.00 0.00 H new ATOM 734 N LEU A 43 1.935 -8.213 1.350 1.00 0.00 N ATOM 735 CA LEU A 43 0.499 -8.426 1.289 1.00 0.00 C ATOM 736 C LEU A 43 -0.126 -8.048 2.633 1.00 0.00 C ATOM 737 O LEU A 43 -1.166 -7.392 2.676 1.00 0.00 O ATOM 738 CB LEU A 43 0.188 -9.858 0.847 1.00 0.00 C ATOM 739 CG LEU A 43 0.638 -10.237 -0.565 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.163 -11.427 -1.095 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.564 -9.032 -1.506 1.00 0.00 C ATOM 0 H LEU A 43 2.496 -8.981 0.982 1.00 0.00 H new ATOM 0 HA LEU A 43 0.050 -7.779 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.656 -10.545 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.889 -10.013 0.918 1.00 0.00 H new ATOM 0 HG LEU A 43 1.682 -10.547 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.177 -11.676 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.016 -12.285 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.222 -11.169 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.889 -9.329 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.463 -8.669 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.213 -8.239 -1.134 1.00 0.00 H new ATOM 753 N SER A 44 0.535 -8.477 3.698 1.00 0.00 N ATOM 754 CA SER A 44 0.057 -8.192 5.040 1.00 0.00 C ATOM 755 C SER A 44 -0.095 -6.681 5.232 1.00 0.00 C ATOM 756 O SER A 44 -1.189 -6.195 5.515 1.00 0.00 O ATOM 757 CB SER A 44 1.003 -8.767 6.096 1.00 0.00 C ATOM 758 OG SER A 44 0.528 -10.003 6.622 1.00 0.00 O ATOM 0 H SER A 44 1.398 -9.020 3.659 1.00 0.00 H new ATOM 0 HA SER A 44 -0.916 -8.668 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.990 -8.915 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.120 -8.049 6.907 1.00 0.00 H new ATOM 0 HG SER A 44 1.160 -10.338 7.291 1.00 0.00 H new ATOM 764 N GLU A 45 1.018 -5.981 5.069 1.00 0.00 N ATOM 765 CA GLU A 45 1.022 -4.536 5.220 1.00 0.00 C ATOM 766 C GLU A 45 0.012 -3.900 4.262 1.00 0.00 C ATOM 767 O GLU A 45 -0.935 -3.247 4.697 1.00 0.00 O ATOM 768 CB GLU A 45 2.424 -3.965 4.997 1.00 0.00 C ATOM 769 CG GLU A 45 3.391 -4.451 6.078 1.00 0.00 C ATOM 770 CD GLU A 45 4.775 -4.734 5.489 1.00 0.00 C ATOM 771 OE1 GLU A 45 4.889 -5.039 4.293 1.00 0.00 O ATOM 772 OE2 GLU A 45 5.754 -4.625 6.321 1.00 0.00 O ATOM 0 H GLU A 45 1.923 -6.388 4.834 1.00 0.00 H new ATOM 0 HA GLU A 45 0.726 -4.296 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.790 -4.264 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.383 -2.876 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.473 -3.699 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.998 -5.355 6.543 1.00 0.00 H new ATOM 780 N PHE A 46 0.250 -4.112 2.976 1.00 0.00 N ATOM 781 CA PHE A 46 -0.626 -3.567 1.953 1.00 0.00 C ATOM 782 C PHE A 46 -2.096 -3.729 2.347 1.00 0.00 C ATOM 783 O PHE A 46 -2.814 -2.742 2.499 1.00 0.00 O ATOM 784 CB PHE A 46 -0.364 -4.359 0.671 1.00 0.00 C ATOM 785 CG PHE A 46 0.160 -3.510 -0.489 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.496 -3.299 -0.628 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.711 -2.966 -1.381 1.00 0.00 C ATOM 788 CE1 PHE A 46 1.982 -2.511 -1.705 1.00 0.00 C ATOM 789 CE2 PHE A 46 -0.225 -2.178 -2.458 1.00 0.00 C ATOM 790 CZ PHE A 46 1.111 -1.967 -2.597 1.00 0.00 C ATOM 0 H PHE A 46 1.037 -4.654 2.619 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.428 -2.503 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.357 -5.148 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.289 -4.847 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.188 -3.731 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.772 -3.133 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.043 -2.344 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.917 -1.746 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.481 -1.367 -3.416 1.00 0.00 H new ATOM 800 N SER A 47 -2.499 -4.982 2.502 1.00 0.00 N ATOM 801 CA SER A 47 -3.870 -5.286 2.876 1.00 0.00 C ATOM 802 C SER A 47 -4.307 -4.390 4.037 1.00 0.00 C ATOM 803 O SER A 47 -5.495 -4.115 4.201 1.00 0.00 O ATOM 804 CB SER A 47 -4.023 -6.760 3.255 1.00 0.00 C ATOM 805 OG SER A 47 -5.391 -7.133 3.405 1.00 0.00 O ATOM 0 H SER A 47 -1.900 -5.798 2.375 1.00 0.00 H new ATOM 0 HA SER A 47 -4.511 -5.092 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.560 -7.381 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.490 -6.952 4.186 1.00 0.00 H new ATOM 0 HG SER A 47 -5.447 -8.081 3.646 1.00 0.00 H new ATOM 811 N GLU A 48 -3.323 -3.960 4.813 1.00 0.00 N ATOM 812 CA GLU A 48 -3.591 -3.102 5.955 1.00 0.00 C ATOM 813 C GLU A 48 -3.644 -1.637 5.516 1.00 0.00 C ATOM 814 O GLU A 48 -4.710 -1.022 5.521 1.00 0.00 O ATOM 815 CB GLU A 48 -2.546 -3.308 7.053 1.00 0.00 C ATOM 816 CG GLU A 48 -3.212 -3.652 8.386 1.00 0.00 C ATOM 817 CD GLU A 48 -2.680 -4.976 8.940 1.00 0.00 C ATOM 818 OE1 GLU A 48 -1.626 -4.995 9.592 1.00 0.00 O ATOM 819 OE2 GLU A 48 -3.404 -6.009 8.671 1.00 0.00 O ATOM 0 H GLU A 48 -2.339 -4.190 4.674 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.562 -3.373 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.864 -4.109 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.947 -2.404 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.029 -2.853 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.292 -3.718 8.251 1.00 0.00 H new ATOM 827 N ILE A 49 -2.482 -1.120 5.147 1.00 0.00 N ATOM 828 CA ILE A 49 -2.382 0.261 4.706 1.00 0.00 C ATOM 829 C ILE A 49 -3.535 0.570 3.748 1.00 0.00 C ATOM 830 O ILE A 49 -4.032 1.694 3.712 1.00 0.00 O ATOM 831 CB ILE A 49 -0.999 0.536 4.113 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.239 1.567 4.951 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.105 0.955 2.646 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.227 1.650 4.519 1.00 0.00 C ATOM 0 H ILE A 49 -1.600 -1.633 5.144 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.480 0.940 5.553 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.424 -0.390 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.709 2.545 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.297 1.298 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.108 1.144 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.578 0.158 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.705 1.862 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.745 2.390 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.700 0.677 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.281 1.943 3.471 1.00 0.00 H new ATOM 846 N LEU A 50 -3.926 -0.448 2.995 1.00 0.00 N ATOM 847 CA LEU A 50 -5.010 -0.300 2.040 1.00 0.00 C ATOM 848 C LEU A 50 -6.325 -0.094 2.795 1.00 0.00 C ATOM 849 O LEU A 50 -7.107 0.792 2.456 1.00 0.00 O ATOM 850 CB LEU A 50 -5.036 -1.483 1.070 1.00 0.00 C ATOM 851 CG LEU A 50 -3.899 -1.537 0.048 1.00 0.00 C ATOM 852 CD1 LEU A 50 -4.086 -2.709 -0.918 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.759 -0.204 -0.689 1.00 0.00 C ATOM 0 H LEU A 50 -3.511 -1.379 3.027 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.855 0.585 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.019 -2.405 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.983 -1.464 0.530 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.966 -1.707 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.264 -2.725 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.097 -3.644 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.030 -2.594 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.944 -0.270 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.688 0.022 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.545 0.588 0.029 1.00 0.00 H new ATOM 865 N GLU A 51 -6.527 -0.929 3.804 1.00 0.00 N ATOM 866 CA GLU A 51 -7.734 -0.850 4.609 1.00 0.00 C ATOM 867 C GLU A 51 -8.129 0.612 4.832 1.00 0.00 C ATOM 868 O GLU A 51 -9.314 0.935 4.898 1.00 0.00 O ATOM 869 CB GLU A 51 -7.552 -1.578 5.943 1.00 0.00 C ATOM 870 CG GLU A 51 -7.483 -3.092 5.736 1.00 0.00 C ATOM 871 CD GLU A 51 -8.666 -3.791 6.410 1.00 0.00 C ATOM 872 OE1 GLU A 51 -9.733 -3.182 6.577 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.447 -5.012 6.764 1.00 0.00 O ATOM 0 H GLU A 51 -5.876 -1.663 4.082 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.541 -1.346 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.640 -1.232 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.380 -1.336 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.482 -3.317 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.548 -3.476 6.144 1.00 0.00 H new ATOM 881 N PHE A 52 -7.113 1.456 4.942 1.00 0.00 N ATOM 882 CA PHE A 52 -7.340 2.875 5.155 1.00 0.00 C ATOM 883 C PHE A 52 -7.905 3.536 3.897 1.00 0.00 C ATOM 884 O PHE A 52 -7.655 3.075 2.784 1.00 0.00 O ATOM 885 CB PHE A 52 -5.982 3.501 5.479 1.00 0.00 C ATOM 886 CG PHE A 52 -5.787 3.833 6.960 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.213 5.027 7.451 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.187 2.933 7.786 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.033 5.335 8.825 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.006 3.241 9.160 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.433 4.436 9.651 1.00 0.00 C ATOM 0 H PHE A 52 -6.131 1.184 4.888 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.058 3.019 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.194 2.817 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.865 4.413 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.689 5.741 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.849 1.984 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.373 6.283 9.215 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.529 2.527 9.815 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.296 4.671 10.696 1.00 0.00 H new ATOM 901 N GLN A 53 -8.657 4.605 4.115 1.00 0.00 N ATOM 902 CA GLN A 53 -9.260 5.334 3.012 1.00 0.00 C ATOM 903 C GLN A 53 -8.247 6.305 2.401 1.00 0.00 C ATOM 904 O GLN A 53 -7.158 6.492 2.940 1.00 0.00 O ATOM 905 CB GLN A 53 -10.521 6.070 3.466 1.00 0.00 C ATOM 906 CG GLN A 53 -11.251 5.286 4.558 1.00 0.00 C ATOM 907 CD GLN A 53 -12.761 5.275 4.308 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.385 6.297 4.075 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.310 4.065 4.371 1.00 0.00 N ATOM 0 H GLN A 53 -8.862 4.984 5.039 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.554 4.617 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.255 7.059 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.185 6.219 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.876 4.263 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.043 5.731 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.729 3.251 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.312 3.951 4.220 1.00 0.00 H new ATOM 918 N ASP A 54 -8.643 6.897 1.284 1.00 0.00 N ATOM 919 CA ASP A 54 -7.784 7.844 0.594 1.00 0.00 C ATOM 920 C ASP A 54 -7.533 9.052 1.499 1.00 0.00 C ATOM 921 O ASP A 54 -6.389 9.348 1.842 1.00 0.00 O ATOM 922 CB ASP A 54 -8.440 8.347 -0.693 1.00 0.00 C ATOM 923 CG ASP A 54 -8.870 7.251 -1.671 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.430 6.220 -1.269 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.604 7.491 -2.910 1.00 0.00 O ATOM 0 H ASP A 54 -9.547 6.739 0.840 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.851 7.336 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.315 8.941 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.744 9.014 -1.201 1.00 0.00 H new ATOM 931 N GLN A 55 -8.621 9.716 1.861 1.00 0.00 N ATOM 932 CA GLN A 55 -8.533 10.885 2.720 1.00 0.00 C ATOM 933 C GLN A 55 -7.540 10.634 3.857 1.00 0.00 C ATOM 934 O GLN A 55 -6.582 11.386 4.027 1.00 0.00 O ATOM 935 CB GLN A 55 -9.909 11.267 3.268 1.00 0.00 C ATOM 936 CG GLN A 55 -10.042 12.785 3.405 1.00 0.00 C ATOM 937 CD GLN A 55 -9.970 13.212 4.872 1.00 0.00 C ATOM 938 OE1 GLN A 55 -10.967 13.295 5.571 1.00 0.00 O ATOM 939 NE2 GLN A 55 -8.738 13.477 5.299 1.00 0.00 N ATOM 0 H GLN A 55 -9.568 9.467 1.575 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.170 11.723 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.687 10.889 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.061 10.796 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.249 13.275 2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.989 13.111 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.947 13.387 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.585 13.770 6.264 1.00 0.00 H new ATOM 948 N GLU A 56 -7.804 9.574 4.607 1.00 0.00 N ATOM 949 CA GLU A 56 -6.946 9.215 5.723 1.00 0.00 C ATOM 950 C GLU A 56 -5.538 8.882 5.225 1.00 0.00 C ATOM 951 O GLU A 56 -4.549 9.288 5.832 1.00 0.00 O ATOM 952 CB GLU A 56 -7.537 8.048 6.516 1.00 0.00 C ATOM 953 CG GLU A 56 -8.843 8.456 7.201 1.00 0.00 C ATOM 954 CD GLU A 56 -9.944 7.425 6.942 1.00 0.00 C ATOM 955 OE1 GLU A 56 -9.791 6.250 7.307 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.988 7.882 6.338 1.00 0.00 O ATOM 0 H GLU A 56 -8.600 8.952 4.464 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.880 10.071 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.720 7.206 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.819 7.712 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.679 8.556 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.160 9.432 6.834 1.00 0.00 H new ATOM 964 N LEU A 57 -5.493 8.146 4.124 1.00 0.00 N ATOM 965 CA LEU A 57 -4.223 7.753 3.538 1.00 0.00 C ATOM 966 C LEU A 57 -3.405 9.006 3.219 1.00 0.00 C ATOM 967 O LEU A 57 -2.313 9.191 3.755 1.00 0.00 O ATOM 968 CB LEU A 57 -4.450 6.843 2.329 1.00 0.00 C ATOM 969 CG LEU A 57 -3.195 6.429 1.557 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.298 5.532 2.411 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.564 5.771 0.225 1.00 0.00 C ATOM 0 H LEU A 57 -6.316 7.812 3.622 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.642 7.164 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.958 5.940 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.126 7.349 1.640 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.623 7.328 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.413 5.252 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.994 6.070 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.846 4.634 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.655 5.486 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.168 4.883 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.133 6.475 -0.383 1.00 0.00 H new ATOM 983 N LEU A 58 -3.963 9.834 2.349 1.00 0.00 N ATOM 984 CA LEU A 58 -3.299 11.064 1.953 1.00 0.00 C ATOM 985 C LEU A 58 -2.819 11.804 3.203 1.00 0.00 C ATOM 986 O LEU A 58 -1.621 12.018 3.380 1.00 0.00 O ATOM 987 CB LEU A 58 -4.212 11.901 1.055 1.00 0.00 C ATOM 988 CG LEU A 58 -3.523 12.658 -0.082 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.023 11.694 -1.159 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.443 13.736 -0.660 1.00 0.00 C ATOM 0 H LEU A 58 -4.869 9.677 1.907 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.416 10.844 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.966 11.243 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.739 12.623 1.679 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.649 13.166 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.537 12.258 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.309 10.997 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.866 11.139 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.929 14.259 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.349 13.271 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.707 14.447 0.123 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.779 12.175 4.037 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.469 12.887 5.265 1.00 0.00 C ATOM 1004 C ALA A 59 -2.348 12.155 6.005 1.00 0.00 C ATOM 1005 O ALA A 59 -1.409 12.781 6.493 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.737 13.021 6.112 1.00 0.00 C ATOM 0 H ALA A 59 -4.772 11.996 3.887 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.116 13.895 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.504 13.555 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.492 13.574 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.119 12.029 6.354 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.484 10.838 6.066 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.495 10.014 6.739 1.00 0.00 C ATOM 1014 C LEU A 60 -0.110 10.315 6.162 1.00 0.00 C ATOM 1015 O LEU A 60 0.789 10.740 6.887 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.885 8.537 6.660 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.584 7.962 7.894 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.367 6.696 7.540 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.585 7.720 9.027 1.00 0.00 C ATOM 0 H LEU A 60 -3.264 10.322 5.660 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.458 10.254 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.539 8.400 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.984 7.953 6.472 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.305 8.697 8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.854 6.307 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.121 6.933 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.684 5.945 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.108 7.311 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.824 7.014 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.111 8.662 9.302 1.00 0.00 H new ATOM 1031 N ILE A 61 0.019 10.083 4.864 1.00 0.00 N ATOM 1032 CA ILE A 61 1.279 10.324 4.182 1.00 0.00 C ATOM 1033 C ILE A 61 1.813 11.702 4.579 1.00 0.00 C ATOM 1034 O ILE A 61 2.978 11.837 4.951 1.00 0.00 O ATOM 1035 CB ILE A 61 1.115 10.139 2.672 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.767 8.689 2.332 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.359 10.621 1.923 1.00 0.00 C ATOM 1038 CD1 ILE A 61 -0.051 8.610 1.041 1.00 0.00 C ATOM 0 H ILE A 61 -0.729 9.731 4.266 1.00 0.00 H new ATOM 0 HA ILE A 61 2.025 9.592 4.490 1.00 0.00 H new ATOM 0 HB ILE A 61 0.280 10.756 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.682 8.107 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.203 8.245 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.217 10.478 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.521 11.679 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.227 10.050 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.285 7.568 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.977 9.172 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.526 9.033 0.218 1.00 0.00 H new ATOM 1050 N ASN A 62 0.936 12.691 4.485 1.00 0.00 N ATOM 1051 CA ASN A 62 1.304 14.054 4.829 1.00 0.00 C ATOM 1052 C ASN A 62 1.736 14.106 6.296 1.00 0.00 C ATOM 1053 O ASN A 62 2.617 14.882 6.660 1.00 0.00 O ATOM 1054 CB ASN A 62 0.120 15.006 4.651 1.00 0.00 C ATOM 1055 CG ASN A 62 0.034 15.508 3.208 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.669 16.475 2.821 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.786 14.800 2.437 1.00 0.00 N ATOM 0 H ASN A 62 -0.029 12.575 4.175 1.00 0.00 H new ATOM 0 HA ASN A 62 2.116 14.361 4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.805 14.496 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.224 15.853 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.913 15.056 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.288 14.001 2.825 1.00 0.00 H new ATOM 1064 N GLY A 63 1.095 13.268 7.098 1.00 0.00 N ATOM 1065 CA GLY A 63 1.401 13.209 8.518 1.00 0.00 C ATOM 1066 C GLY A 63 0.235 13.741 9.353 1.00 0.00 C ATOM 1067 O GLY A 63 0.437 14.244 10.457 1.00 0.00 O ATOM 0 H GLY A 63 0.365 12.624 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.618 12.180 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.298 13.793 8.725 1.00 0.00 H new ATOM 1071 N HIS A 64 -0.959 13.612 8.794 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.157 14.074 9.474 1.00 0.00 C ATOM 1073 C HIS A 64 -2.703 12.957 10.366 1.00 0.00 C ATOM 1074 O HIS A 64 -2.416 12.917 11.562 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.189 14.586 8.467 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.439 16.073 8.547 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.798 16.833 7.448 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.380 16.931 9.606 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -3.944 18.091 7.838 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -3.684 18.150 9.176 1.00 0.00 N ATOM 0 H HIS A 64 -1.123 13.194 7.878 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.912 14.919 10.117 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.853 14.338 7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.130 14.060 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.129 16.664 10.622 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.220 18.923 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.718 18.992 9.751 1.00 0.00 H new ATOM 1088 N SER A 65 -3.481 12.079 9.751 1.00 0.00 N ATOM 1089 CA SER A 65 -4.070 10.965 10.475 1.00 0.00 C ATOM 1090 C SER A 65 -2.978 10.179 11.204 1.00 0.00 C ATOM 1091 O SER A 65 -1.794 10.486 11.073 1.00 0.00 O ATOM 1092 CB SER A 65 -4.847 10.044 9.532 1.00 0.00 C ATOM 1093 OG SER A 65 -6.255 10.223 9.652 1.00 0.00 O ATOM 0 H SER A 65 -3.717 12.116 8.759 1.00 0.00 H new ATOM 0 HA SER A 65 -4.771 11.365 11.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.543 10.238 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.594 9.006 9.748 1.00 0.00 H new ATOM 0 HG SER A 65 -6.716 9.619 9.033 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.415 9.179 11.956 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.490 8.347 12.706 1.00 0.00 C ATOM 1101 C GLU A 66 -2.642 6.881 12.295 1.00 0.00 C ATOM 1102 O GLU A 66 -3.599 6.520 11.611 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.695 8.518 14.212 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.828 9.654 14.758 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.887 9.147 15.853 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.180 9.311 17.047 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.181 8.563 15.427 1.00 0.00 O ATOM 0 H GLU A 66 -4.398 8.927 12.062 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.474 8.666 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.745 8.726 14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.447 7.588 14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.246 10.094 13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.465 10.443 15.157 1.00 0.00 H new ATOM 1115 N THR A 67 -1.683 6.076 12.728 1.00 0.00 N ATOM 1116 CA THR A 67 -1.699 4.657 12.414 1.00 0.00 C ATOM 1117 C THR A 67 -1.422 3.829 13.670 1.00 0.00 C ATOM 1118 O THR A 67 -0.377 3.982 14.301 1.00 0.00 O ATOM 1119 CB THR A 67 -0.690 4.411 11.289 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.192 3.258 10.619 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.677 3.970 11.815 1.00 0.00 C ATOM 0 H THR A 67 -0.890 6.379 13.293 1.00 0.00 H new ATOM 0 HA THR A 67 -2.682 4.340 12.065 1.00 0.00 H new ATOM 0 HB THR A 67 -0.576 5.320 10.699 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.942 3.295 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.355 3.809 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.083 4.744 12.467 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.569 3.042 12.377 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.376 2.970 13.996 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.248 2.118 15.166 1.00 0.00 C ATOM 1131 C ASP A 68 -1.613 0.788 14.756 1.00 0.00 C ATOM 1132 O ASP A 68 -1.954 -0.261 15.301 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.616 1.819 15.782 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.687 1.965 17.303 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -2.676 1.817 18.007 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.856 2.247 17.770 1.00 0.00 O ATOM 0 H ASP A 68 -3.241 2.846 13.470 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.630 2.639 15.897 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.353 2.485 15.334 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.903 0.802 15.516 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.701 0.874 13.798 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.016 -0.310 13.308 1.00 0.00 C ATOM 1144 C LYS A 69 1.425 0.054 12.946 1.00 0.00 C ATOM 1145 O LYS A 69 1.658 0.893 12.077 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.798 -0.944 12.157 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.180 -1.407 12.622 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.068 -2.608 13.564 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.437 -3.246 13.804 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.292 -4.523 14.539 1.00 0.00 N ATOM 0 H LYS A 69 -0.421 1.746 13.348 1.00 0.00 H new ATOM 0 HA LYS A 69 0.033 -1.072 14.086 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.906 -0.224 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.242 -1.792 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.690 -0.588 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.788 -1.674 11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.388 -3.346 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.639 -2.290 14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.069 -2.563 14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.935 -3.423 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.231 -4.943 14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.707 -5.179 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.837 -4.345 15.457 1.00 0.00 H new ATOM 1163 N GLY A 70 2.356 -0.594 13.632 1.00 0.00 N ATOM 1164 CA GLY A 70 3.768 -0.349 13.393 1.00 0.00 C ATOM 1165 C GLY A 70 4.251 -1.095 12.147 1.00 0.00 C ATOM 1166 O GLY A 70 5.398 -0.939 11.732 1.00 0.00 O ATOM 0 H GLY A 70 2.160 -1.288 14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.939 0.720 13.270 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.348 -0.667 14.259 1.00 0.00 H new ATOM 1170 N HIS A 71 3.351 -1.888 11.586 1.00 0.00 N ATOM 1171 CA HIS A 71 3.670 -2.658 10.396 1.00 0.00 C ATOM 1172 C HIS A 71 3.626 -1.747 9.167 1.00 0.00 C ATOM 1173 O HIS A 71 4.203 -2.069 8.130 1.00 0.00 O ATOM 1174 CB HIS A 71 2.746 -3.871 10.268 1.00 0.00 C ATOM 1175 CG HIS A 71 3.383 -5.175 10.683 1.00 0.00 C ATOM 1176 ND1 HIS A 71 4.004 -5.350 11.908 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.488 -6.365 10.025 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.459 -6.593 11.972 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.138 -7.220 10.804 1.00 0.00 N ATOM 0 H HIS A 71 2.400 -2.014 11.933 1.00 0.00 H new ATOM 0 HA HIS A 71 4.683 -3.053 10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.857 -3.703 10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.414 -3.954 9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.107 -6.576 9.037 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.991 -7.032 12.803 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.361 -8.187 10.568 1.00 0.00 H new ATOM 1187 N LEU A 72 2.935 -0.628 9.326 1.00 0.00 N ATOM 1188 CA LEU A 72 2.808 0.333 8.243 1.00 0.00 C ATOM 1189 C LEU A 72 3.908 1.388 8.371 1.00 0.00 C ATOM 1190 O LEU A 72 4.285 2.020 7.385 1.00 0.00 O ATOM 1191 CB LEU A 72 1.395 0.918 8.209 1.00 0.00 C ATOM 1192 CG LEU A 72 0.254 -0.068 8.470 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.941 0.636 9.117 1.00 0.00 C ATOM 1194 CD2 LEU A 72 -0.139 -0.804 7.188 1.00 0.00 C ATOM 0 H LEU A 72 2.457 -0.365 10.188 1.00 0.00 H new ATOM 0 HA LEU A 72 2.948 -0.158 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.336 1.716 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.236 1.376 7.233 1.00 0.00 H new ATOM 0 HG LEU A 72 0.606 -0.819 9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.738 -0.087 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.634 1.075 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.303 1.422 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.952 -1.498 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.466 -0.082 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.720 -1.357 6.808 1.00 0.00 H new ATOM 1206 N ILE A 73 4.392 1.547 9.594 1.00 0.00 N ATOM 1207 CA ILE A 73 5.441 2.515 9.864 1.00 0.00 C ATOM 1208 C ILE A 73 6.473 2.471 8.735 1.00 0.00 C ATOM 1209 O ILE A 73 6.850 3.509 8.193 1.00 0.00 O ATOM 1210 CB ILE A 73 6.040 2.284 11.253 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.292 3.094 12.314 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.541 2.578 11.259 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.184 3.363 13.528 1.00 0.00 C ATOM 0 H ILE A 73 4.077 1.021 10.409 1.00 0.00 H new ATOM 0 HA ILE A 73 5.031 3.525 9.883 1.00 0.00 H new ATOM 0 HB ILE A 73 5.918 1.231 11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.958 4.040 11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.399 2.553 12.627 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.941 2.406 12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.043 1.921 10.549 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.709 3.617 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.628 3.940 14.267 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.496 2.416 13.967 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.064 3.925 13.215 1.00 0.00 H new ATOM 1225 N PRO A 74 6.911 1.227 8.405 1.00 0.00 N ATOM 1226 CA PRO A 74 7.892 1.034 7.350 1.00 0.00 C ATOM 1227 C PRO A 74 7.255 1.213 5.971 1.00 0.00 C ATOM 1228 O PRO A 74 7.700 2.045 5.181 1.00 0.00 O ATOM 1229 CB PRO A 74 8.440 -0.366 7.574 1.00 0.00 C ATOM 1230 CG PRO A 74 7.423 -1.077 8.453 1.00 0.00 C ATOM 1231 CD PRO A 74 6.486 -0.025 9.025 1.00 0.00 C ATOM 0 HA PRO A 74 8.694 1.771 7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.572 -0.890 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.416 -0.330 8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.864 -1.811 7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.924 -1.619 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.446 -0.251 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.563 0.025 10.111 1.00 0.00 H new ATOM 1239 N MET A 75 6.224 0.419 5.722 1.00 0.00 N ATOM 1240 CA MET A 75 5.522 0.480 4.451 1.00 0.00 C ATOM 1241 C MET A 75 5.171 1.924 4.087 1.00 0.00 C ATOM 1242 O MET A 75 5.100 2.271 2.910 1.00 0.00 O ATOM 1243 CB MET A 75 4.241 -0.352 4.536 1.00 0.00 C ATOM 1244 CG MET A 75 4.484 -1.784 4.055 1.00 0.00 C ATOM 1245 SD MET A 75 3.416 -2.153 2.673 1.00 0.00 S ATOM 1246 CE MET A 75 4.477 -3.248 1.745 1.00 0.00 C ATOM 0 H MET A 75 5.858 -0.270 6.379 1.00 0.00 H new ATOM 0 HA MET A 75 6.175 0.079 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.880 -0.366 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.461 0.111 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.527 -1.906 3.762 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.297 -2.486 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.379 -3.034 0.681 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.512 -3.098 2.052 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.189 -4.282 1.935 1.00 0.00 H new ATOM 1256 N LEU A 76 4.960 2.726 5.121 1.00 0.00 N ATOM 1257 CA LEU A 76 4.618 4.125 4.924 1.00 0.00 C ATOM 1258 C LEU A 76 5.817 4.858 4.320 1.00 0.00 C ATOM 1259 O LEU A 76 5.647 5.806 3.554 1.00 0.00 O ATOM 1260 CB LEU A 76 4.115 4.741 6.231 1.00 0.00 C ATOM 1261 CG LEU A 76 2.596 4.862 6.374 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.225 5.640 7.639 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.974 5.477 5.119 1.00 0.00 C ATOM 0 H LEU A 76 5.019 2.434 6.097 1.00 0.00 H new ATOM 0 HA LEU A 76 3.796 4.221 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.492 4.142 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.550 5.735 6.332 1.00 0.00 H new ATOM 0 HG LEU A 76 2.182 3.859 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.140 5.712 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.618 5.122 8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.652 6.642 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.894 5.552 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.390 6.471 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.194 4.847 4.257 1.00 0.00 H new ATOM 1275 N GLU A 77 7.002 4.392 4.686 1.00 0.00 N ATOM 1276 CA GLU A 77 8.228 4.992 4.189 1.00 0.00 C ATOM 1277 C GLU A 77 8.422 4.657 2.709 1.00 0.00 C ATOM 1278 O GLU A 77 8.608 5.551 1.885 1.00 0.00 O ATOM 1279 CB GLU A 77 9.434 4.541 5.015 1.00 0.00 C ATOM 1280 CG GLU A 77 9.773 5.569 6.097 1.00 0.00 C ATOM 1281 CD GLU A 77 10.675 6.672 5.541 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.687 6.376 4.888 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.292 7.875 5.807 1.00 0.00 O ATOM 0 H GLU A 77 7.139 3.606 5.321 1.00 0.00 H new ATOM 0 HA GLU A 77 8.145 6.074 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.222 3.577 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.294 4.399 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.855 6.008 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.270 5.074 6.931 1.00 0.00 H new ATOM 1291 N LYS A 78 8.371 3.365 2.416 1.00 0.00 N ATOM 1292 CA LYS A 78 8.538 2.900 1.050 1.00 0.00 C ATOM 1293 C LYS A 78 7.372 3.404 0.198 1.00 0.00 C ATOM 1294 O LYS A 78 7.571 3.854 -0.930 1.00 0.00 O ATOM 1295 CB LYS A 78 8.711 1.381 1.018 1.00 0.00 C ATOM 1296 CG LYS A 78 7.707 0.695 1.946 1.00 0.00 C ATOM 1297 CD LYS A 78 7.175 -0.596 1.321 1.00 0.00 C ATOM 1298 CE LYS A 78 8.271 -1.661 1.246 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.626 -2.136 2.601 1.00 0.00 N ATOM 0 H LYS A 78 8.216 2.626 3.102 1.00 0.00 H new ATOM 0 HA LYS A 78 9.450 3.310 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.577 1.018 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.726 1.121 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.183 0.472 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.878 1.371 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.338 -0.971 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.794 -0.390 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.931 -2.499 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.153 -1.249 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.157 -3.027 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.213 -1.421 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.758 -2.294 3.152 1.00 0.00 H new ATOM 1312 N ILE A 79 6.180 3.312 0.769 1.00 0.00 N ATOM 1313 CA ILE A 79 4.981 3.753 0.076 1.00 0.00 C ATOM 1314 C ILE A 79 5.067 5.260 -0.174 1.00 0.00 C ATOM 1315 O ILE A 79 5.155 5.698 -1.320 1.00 0.00 O ATOM 1316 CB ILE A 79 3.730 3.328 0.847 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.597 1.804 0.880 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.480 4.000 0.276 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.662 1.359 2.006 1.00 0.00 C ATOM 0 H ILE A 79 6.019 2.938 1.704 1.00 0.00 H new ATOM 0 HA ILE A 79 4.905 3.272 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 79 3.834 3.664 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.215 1.448 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.579 1.353 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.605 3.681 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.584 5.083 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.359 3.716 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.585 0.272 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.060 1.696 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.674 1.792 1.851 1.00 0.00 H new ATOM 1331 N ARG A 80 5.039 6.011 0.917 1.00 0.00 N ATOM 1332 CA ARG A 80 5.113 7.460 0.830 1.00 0.00 C ATOM 1333 C ARG A 80 6.282 7.879 -0.062 1.00 0.00 C ATOM 1334 O ARG A 80 6.295 8.988 -0.595 1.00 0.00 O ATOM 1335 CB ARG A 80 5.287 8.086 2.215 1.00 0.00 C ATOM 1336 CG ARG A 80 6.741 7.992 2.681 1.00 0.00 C ATOM 1337 CD ARG A 80 7.449 9.341 2.541 1.00 0.00 C ATOM 1338 NE ARG A 80 7.757 9.892 3.880 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.720 10.808 4.119 1.00 0.00 C ATOM 1340 NH1 ARG A 80 9.478 11.284 3.109 1.00 0.00 N ATOM 1341 NH2 ARG A 80 8.909 11.231 5.355 1.00 0.00 N ATOM 0 H ARG A 80 4.966 5.644 1.866 1.00 0.00 H new ATOM 0 HA ARG A 80 4.177 7.815 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.977 9.131 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.639 7.580 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.773 7.666 3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.267 7.239 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.368 9.221 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.818 10.037 1.989 1.00 0.00 H new ATOM 0 HE ARG A 80 7.207 9.559 4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.326 10.952 2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.203 11.976 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.332 10.866 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.632 11.923 5.552 1.00 0.00 H new ATOM 1354 N ARG A 81 7.237 6.971 -0.198 1.00 0.00 N ATOM 1355 CA ARG A 81 8.409 7.232 -1.017 1.00 0.00 C ATOM 1356 C ARG A 81 7.995 7.500 -2.465 1.00 0.00 C ATOM 1357 O ARG A 81 8.073 8.633 -2.938 1.00 0.00 O ATOM 1358 CB ARG A 81 9.381 6.052 -0.981 1.00 0.00 C ATOM 1359 CG ARG A 81 10.799 6.519 -0.646 1.00 0.00 C ATOM 1360 CD ARG A 81 11.836 5.764 -1.479 1.00 0.00 C ATOM 1361 NE ARG A 81 12.487 6.688 -2.435 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.575 6.374 -3.170 1.00 0.00 C ATOM 1363 NH1 ARG A 81 14.145 5.155 -3.064 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.074 7.278 -3.993 1.00 0.00 N ATOM 0 H ARG A 81 7.223 6.053 0.246 1.00 0.00 H new ATOM 0 HA ARG A 81 8.909 8.111 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.049 5.325 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.380 5.546 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.887 7.589 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.996 6.363 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.585 5.317 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.356 4.947 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 81 12.088 7.620 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.754 4.463 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.967 4.926 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.638 8.197 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.896 7.057 -4.556 1.00 0.00 H new ATOM 1377 N ALA A 82 7.563 6.438 -3.130 1.00 0.00 N ATOM 1378 CA ALA A 82 7.137 6.544 -4.515 1.00 0.00 C ATOM 1379 C ALA A 82 6.010 7.573 -4.619 1.00 0.00 C ATOM 1380 O ALA A 82 5.930 8.314 -5.598 1.00 0.00 O ATOM 1381 CB ALA A 82 6.717 5.164 -5.026 1.00 0.00 C ATOM 0 H ALA A 82 7.499 5.500 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 82 7.957 6.889 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.397 5.243 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.561 4.478 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.893 4.787 -4.420 1.00 0.00 H new