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 -43:sc= 0.138 USER MOD Set 1.2: A 31 MET CE :methyl -144:sc= -3.41! (180deg=-4.02!) 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= -1.04 K(o=-1,f=-2.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-0.33) USER MOD Single : A 39 SER OG : rot 180:sc= -0.336 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 -50:sc= -0.22 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 1.23 K(o=1.2,f=-0.074) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 174:sc= 1.23 USER MOD Single : A 67 THR OG1 : rot 130:sc= -1.94! 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 -115:sc= -10.3! (180deg=-15.6!) USER MOD Single : A 78 LYS NZ :NH3+ -114:sc= 0.338 (180deg=0.103) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.956 -15.450 -4.250 1.00 0.00 N ATOM 72 CA ASP A 5 -4.527 -15.799 -5.539 1.00 0.00 C ATOM 73 C ASP A 5 -4.845 -14.520 -6.315 1.00 0.00 C ATOM 74 O ASP A 5 -4.676 -13.417 -5.797 1.00 0.00 O ATOM 75 CB ASP A 5 -5.829 -16.585 -5.370 1.00 0.00 C ATOM 76 CG ASP A 5 -5.729 -17.815 -4.464 1.00 0.00 C ATOM 77 OD1 ASP A 5 -5.285 -18.890 -4.894 1.00 0.00 O ATOM 78 OD2 ASP A 5 -6.135 -17.635 -3.253 1.00 0.00 O ATOM 0 HA ASP A 5 -3.802 -16.412 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.590 -15.916 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.174 -16.904 -6.354 1.00 0.00 H new ATOM 84 N ASP A 6 -5.300 -14.709 -7.545 1.00 0.00 N ATOM 85 CA ASP A 6 -5.644 -13.584 -8.398 1.00 0.00 C ATOM 86 C ASP A 6 -6.362 -12.520 -7.566 1.00 0.00 C ATOM 87 O ASP A 6 -6.226 -11.326 -7.827 1.00 0.00 O ATOM 88 CB ASP A 6 -6.582 -14.014 -9.527 1.00 0.00 C ATOM 89 CG ASP A 6 -6.049 -13.768 -10.940 1.00 0.00 C ATOM 90 OD1 ASP A 6 -5.607 -12.657 -11.271 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.100 -14.788 -11.728 1.00 0.00 O ATOM 0 H ASP A 6 -5.438 -15.625 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.722 -13.192 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.796 -15.077 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.528 -13.484 -9.415 1.00 0.00 H new ATOM 97 N ILE A 7 -7.112 -12.992 -6.580 1.00 0.00 N ATOM 98 CA ILE A 7 -7.853 -12.096 -5.709 1.00 0.00 C ATOM 99 C ILE A 7 -6.871 -11.192 -4.960 1.00 0.00 C ATOM 100 O ILE A 7 -7.010 -9.970 -4.976 1.00 0.00 O ATOM 101 CB ILE A 7 -8.781 -12.890 -4.788 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.681 -13.829 -5.595 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.591 -11.955 -3.887 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.158 -15.266 -5.544 1.00 0.00 C ATOM 0 H ILE A 7 -7.222 -13.983 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.503 -11.446 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.166 -13.512 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.697 -13.793 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.729 -13.492 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.243 -12.545 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.912 -11.363 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.196 -11.290 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.815 -15.913 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.152 -15.302 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.134 -15.608 -4.509 1.00 0.00 H new ATOM 116 N ALA A 8 -5.899 -11.828 -4.322 1.00 0.00 N ATOM 117 CA ALA A 8 -4.895 -11.098 -3.569 1.00 0.00 C ATOM 118 C ALA A 8 -4.429 -9.891 -4.386 1.00 0.00 C ATOM 119 O ALA A 8 -4.134 -8.835 -3.828 1.00 0.00 O ATOM 120 CB ALA A 8 -3.742 -12.037 -3.208 1.00 0.00 C ATOM 0 H ALA A 8 -5.786 -12.842 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.314 -10.723 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.989 -11.488 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.120 -12.861 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.295 -12.431 -4.120 1.00 0.00 H new ATOM 126 N LYS A 9 -4.377 -10.087 -5.695 1.00 0.00 N ATOM 127 CA LYS A 9 -3.952 -9.028 -6.595 1.00 0.00 C ATOM 128 C LYS A 9 -5.079 -8.003 -6.736 1.00 0.00 C ATOM 129 O LYS A 9 -4.874 -6.813 -6.500 1.00 0.00 O ATOM 130 CB LYS A 9 -3.483 -9.614 -7.928 1.00 0.00 C ATOM 131 CG LYS A 9 -2.027 -9.235 -8.211 1.00 0.00 C ATOM 132 CD LYS A 9 -1.286 -10.384 -8.898 1.00 0.00 C ATOM 133 CE LYS A 9 -0.500 -11.215 -7.882 1.00 0.00 C ATOM 134 NZ LYS A 9 0.947 -11.179 -8.192 1.00 0.00 N ATOM 0 H LYS A 9 -4.622 -10.964 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.091 -8.501 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.583 -10.699 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.121 -9.250 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.995 -8.347 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.525 -8.981 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.000 -11.021 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.606 -9.985 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.672 -10.830 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.855 -12.246 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.466 -11.748 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.108 -11.568 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.285 -10.196 -8.158 1.00 0.00 H new ATOM 147 N ARG A 10 -6.245 -8.501 -7.121 1.00 0.00 N ATOM 148 CA ARG A 10 -7.404 -7.643 -7.297 1.00 0.00 C ATOM 149 C ARG A 10 -7.666 -6.837 -6.023 1.00 0.00 C ATOM 150 O ARG A 10 -7.885 -5.628 -6.084 1.00 0.00 O ATOM 151 CB ARG A 10 -8.650 -8.464 -7.637 1.00 0.00 C ATOM 152 CG ARG A 10 -8.584 -8.991 -9.072 1.00 0.00 C ATOM 153 CD ARG A 10 -9.905 -9.648 -9.476 1.00 0.00 C ATOM 154 NE ARG A 10 -9.919 -11.064 -9.046 1.00 0.00 N ATOM 155 CZ ARG A 10 -10.864 -11.957 -9.411 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.881 -11.586 -10.217 1.00 0.00 N ATOM 157 NH2 ARG A 10 -10.777 -13.197 -8.967 1.00 0.00 N ATOM 0 H ARG A 10 -6.412 -9.488 -7.316 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.192 -6.965 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.740 -9.299 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.541 -7.848 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.358 -8.171 -9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.772 -9.713 -9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.740 -9.114 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.036 -9.586 -10.556 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.168 -11.386 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.940 -10.625 -10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.591 -12.266 -10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.005 -13.468 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.482 -13.884 -9.233 1.00 0.00 H new ATOM 170 N LYS A 11 -7.634 -7.538 -4.899 1.00 0.00 N ATOM 171 CA LYS A 11 -7.864 -6.902 -3.613 1.00 0.00 C ATOM 172 C LYS A 11 -7.001 -5.644 -3.509 1.00 0.00 C ATOM 173 O LYS A 11 -7.495 -4.574 -3.156 1.00 0.00 O ATOM 174 CB LYS A 11 -7.639 -7.899 -2.475 1.00 0.00 C ATOM 175 CG LYS A 11 -8.436 -7.501 -1.231 1.00 0.00 C ATOM 176 CD LYS A 11 -7.602 -7.688 0.038 1.00 0.00 C ATOM 177 CE LYS A 11 -8.427 -8.349 1.143 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.475 -9.815 0.948 1.00 0.00 N ATOM 0 H LYS A 11 -7.452 -8.541 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.903 -6.583 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.936 -8.897 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.577 -7.945 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.750 -6.461 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.342 -8.104 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.728 -8.300 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.235 -6.721 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.992 -8.120 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.439 -7.943 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.039 -10.248 1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.910 -10.029 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.509 -10.200 0.972 1.00 0.00 H new ATOM 191 N ILE A 12 -5.724 -5.813 -3.823 1.00 0.00 N ATOM 192 CA ILE A 12 -4.787 -4.704 -3.769 1.00 0.00 C ATOM 193 C ILE A 12 -5.469 -3.439 -4.296 1.00 0.00 C ATOM 194 O ILE A 12 -5.521 -2.424 -3.604 1.00 0.00 O ATOM 195 CB ILE A 12 -3.495 -5.058 -4.507 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.293 -5.013 -3.561 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.297 -4.159 -5.729 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.426 -6.062 -2.456 1.00 0.00 C ATOM 0 H ILE A 12 -5.317 -6.701 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.494 -4.503 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.580 -6.082 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.376 -5.187 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.212 -4.021 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.371 -4.432 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.136 -4.285 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.243 -3.118 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.559 -6.009 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.331 -5.871 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.483 -7.055 -2.902 1.00 0.00 H new ATOM 210 N ARG A 13 -5.976 -3.543 -5.516 1.00 0.00 N ATOM 211 CA ARG A 13 -6.652 -2.420 -6.143 1.00 0.00 C ATOM 212 C ARG A 13 -8.051 -2.244 -5.548 1.00 0.00 C ATOM 213 O ARG A 13 -8.415 -1.148 -5.124 1.00 0.00 O ATOM 214 CB ARG A 13 -6.771 -2.624 -7.655 1.00 0.00 C ATOM 215 CG ARG A 13 -5.880 -1.636 -8.412 1.00 0.00 C ATOM 216 CD ARG A 13 -6.102 -1.745 -9.922 1.00 0.00 C ATOM 217 NE ARG A 13 -7.288 -0.952 -10.318 1.00 0.00 N ATOM 218 CZ ARG A 13 -7.852 -0.995 -11.544 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.342 -1.794 -12.505 1.00 0.00 N ATOM 220 NH2 ARG A 13 -8.909 -0.244 -11.788 1.00 0.00 N ATOM 0 H ARG A 13 -5.932 -4.387 -6.087 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.057 -1.526 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.488 -3.645 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.808 -2.494 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.095 -0.620 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.833 -1.832 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.221 -1.387 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.242 -2.789 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.705 -0.335 -9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.525 -2.371 -12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.774 -1.821 -13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.288 0.357 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.347 -0.264 -12.709 1.00 0.00 H new ATOM 233 N PHE A 14 -8.796 -3.339 -5.536 1.00 0.00 N ATOM 234 CA PHE A 14 -10.147 -3.319 -5.000 1.00 0.00 C ATOM 235 C PHE A 14 -10.213 -2.498 -3.710 1.00 0.00 C ATOM 236 O PHE A 14 -11.254 -1.930 -3.384 1.00 0.00 O ATOM 237 CB PHE A 14 -10.526 -4.768 -4.688 1.00 0.00 C ATOM 238 CG PHE A 14 -12.012 -5.078 -4.881 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.556 -5.051 -6.127 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.788 -5.380 -3.806 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.935 -5.339 -6.306 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.167 -5.668 -3.985 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.711 -5.641 -5.231 1.00 0.00 C ATOM 0 H PHE A 14 -8.490 -4.246 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.827 -2.867 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.941 -5.431 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.250 -4.991 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.939 -4.811 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.356 -5.401 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.367 -5.318 -7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.784 -5.908 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.760 -5.860 -5.367 1.00 0.00 H new ATOM 253 N GLN A 15 -9.087 -2.461 -3.012 1.00 0.00 N ATOM 254 CA GLN A 15 -9.004 -1.719 -1.765 1.00 0.00 C ATOM 255 C GLN A 15 -8.840 -0.224 -2.047 1.00 0.00 C ATOM 256 O GLN A 15 -9.730 0.569 -1.747 1.00 0.00 O ATOM 257 CB GLN A 15 -7.862 -2.241 -0.891 1.00 0.00 C ATOM 258 CG GLN A 15 -8.403 -2.996 0.325 1.00 0.00 C ATOM 259 CD GLN A 15 -8.307 -2.139 1.589 1.00 0.00 C ATOM 260 OE1 GLN A 15 -7.648 -2.485 2.556 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.998 -1.005 1.528 1.00 0.00 N ATOM 0 H GLN A 15 -8.225 -2.933 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.934 -1.865 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.222 -2.900 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.242 -1.408 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.441 -3.278 0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.841 -3.920 0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.529 -0.776 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.997 -0.364 2.321 1.00 0.00 H new ATOM 270 N THR A 16 -7.694 0.114 -2.620 1.00 0.00 N ATOM 271 CA THR A 16 -7.401 1.500 -2.946 1.00 0.00 C ATOM 272 C THR A 16 -8.625 2.170 -3.574 1.00 0.00 C ATOM 273 O THR A 16 -9.142 3.150 -3.041 1.00 0.00 O ATOM 274 CB THR A 16 -6.166 1.522 -3.848 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.538 0.722 -4.967 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.979 0.776 -3.235 1.00 0.00 C ATOM 0 H THR A 16 -6.958 -0.547 -2.867 1.00 0.00 H new ATOM 0 HA THR A 16 -7.177 2.079 -2.050 1.00 0.00 H new ATOM 0 HB THR A 16 -5.882 2.555 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.003 -0.082 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.129 0.822 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.709 1.239 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.252 -0.266 -3.066 1.00 0.00 H new ATOM 284 N ARG A 17 -9.052 1.614 -4.699 1.00 0.00 N ATOM 285 CA ARG A 17 -10.205 2.146 -5.406 1.00 0.00 C ATOM 286 C ARG A 17 -11.229 2.697 -4.412 1.00 0.00 C ATOM 287 O ARG A 17 -11.640 1.998 -3.487 1.00 0.00 O ATOM 288 CB ARG A 17 -10.868 1.069 -6.267 1.00 0.00 C ATOM 289 CG ARG A 17 -12.092 1.626 -6.995 1.00 0.00 C ATOM 290 CD ARG A 17 -11.713 2.150 -8.383 1.00 0.00 C ATOM 291 NE ARG A 17 -12.869 2.034 -9.300 1.00 0.00 N ATOM 292 CZ ARG A 17 -13.420 0.862 -9.678 1.00 0.00 C ATOM 293 NH1 ARG A 17 -12.925 -0.308 -9.220 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.451 0.876 -10.503 1.00 0.00 N ATOM 0 H ARG A 17 -8.620 0.801 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.855 2.949 -6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.151 0.687 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.165 0.229 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.849 0.847 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.535 2.430 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.396 3.191 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.868 1.585 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.274 2.894 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.128 -0.310 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.348 -1.189 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.819 1.764 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.879 -0.001 -10.799 1.00 0.00 H new ATOM 307 N ARG A 18 -11.612 3.945 -4.636 1.00 0.00 N ATOM 308 CA ARG A 18 -12.580 4.598 -3.772 1.00 0.00 C ATOM 309 C ARG A 18 -13.132 5.855 -4.446 1.00 0.00 C ATOM 310 O ARG A 18 -13.061 5.991 -5.667 1.00 0.00 O ATOM 311 CB ARG A 18 -11.951 4.981 -2.431 1.00 0.00 C ATOM 312 CG ARG A 18 -12.778 4.441 -1.263 1.00 0.00 C ATOM 313 CD ARG A 18 -13.142 5.559 -0.284 1.00 0.00 C ATOM 314 NE ARG A 18 -14.600 5.556 -0.031 1.00 0.00 N ATOM 315 CZ ARG A 18 -15.291 6.620 0.431 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.661 7.784 0.695 1.00 0.00 N ATOM 317 NH2 ARG A 18 -16.592 6.504 0.621 1.00 0.00 N ATOM 0 H ARG A 18 -11.269 4.522 -5.404 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.391 3.893 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.936 4.587 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.876 6.066 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.687 3.975 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.215 3.666 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.602 5.423 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.837 6.523 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.116 4.696 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.655 7.865 0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.191 8.583 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.060 5.620 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.129 7.298 0.970 1.00 0.00 H new ATOM 330 N GLY A 19 -13.668 6.744 -3.623 1.00 0.00 N ATOM 331 CA GLY A 19 -14.231 7.985 -4.125 1.00 0.00 C ATOM 332 C GLY A 19 -13.161 9.075 -4.218 1.00 0.00 C ATOM 333 O GLY A 19 -13.480 10.262 -4.245 1.00 0.00 O ATOM 0 H GLY A 19 -13.724 6.629 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.671 7.817 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.036 8.315 -3.468 1.00 0.00 H new ATOM 337 N LEU A 20 -11.913 8.631 -4.263 1.00 0.00 N ATOM 338 CA LEU A 20 -10.794 9.554 -4.352 1.00 0.00 C ATOM 339 C LEU A 20 -10.114 9.393 -5.713 1.00 0.00 C ATOM 340 O LEU A 20 -9.491 8.367 -5.983 1.00 0.00 O ATOM 341 CB LEU A 20 -9.847 9.364 -3.165 1.00 0.00 C ATOM 342 CG LEU A 20 -9.577 10.608 -2.317 1.00 0.00 C ATOM 343 CD1 LEU A 20 -8.842 11.676 -3.130 1.00 0.00 C ATOM 344 CD2 LEU A 20 -10.871 11.145 -1.703 1.00 0.00 C ATOM 0 H LEU A 20 -11.652 7.645 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.144 10.584 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.259 8.590 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.894 8.992 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.923 10.324 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.662 12.550 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.889 11.277 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.450 11.963 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.650 12.029 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.569 11.409 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.317 10.380 -1.068 1.00 0.00 H new ATOM 356 N LEU A 21 -10.256 10.423 -6.535 1.00 0.00 N ATOM 357 CA LEU A 21 -9.663 10.409 -7.861 1.00 0.00 C ATOM 358 C LEU A 21 -8.138 10.394 -7.733 1.00 0.00 C ATOM 359 O LEU A 21 -7.505 9.357 -7.925 1.00 0.00 O ATOM 360 CB LEU A 21 -10.198 11.571 -8.700 1.00 0.00 C ATOM 361 CG LEU A 21 -9.547 11.765 -10.071 1.00 0.00 C ATOM 362 CD1 LEU A 21 -10.023 10.698 -11.059 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.787 13.181 -10.597 1.00 0.00 C ATOM 0 H LEU A 21 -10.773 11.272 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.948 9.503 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.268 11.425 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.077 12.491 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.470 11.642 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.546 10.858 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.758 9.710 -10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.105 10.765 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.314 13.292 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.858 13.357 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.360 13.904 -9.902 1.00 0.00 H new ATOM 375 N GLU A 22 -7.592 11.557 -7.410 1.00 0.00 N ATOM 376 CA GLU A 22 -6.154 11.692 -7.254 1.00 0.00 C ATOM 377 C GLU A 22 -5.564 10.415 -6.651 1.00 0.00 C ATOM 378 O GLU A 22 -4.640 9.828 -7.212 1.00 0.00 O ATOM 379 CB GLU A 22 -5.806 12.913 -6.401 1.00 0.00 C ATOM 380 CG GLU A 22 -4.796 13.812 -7.116 1.00 0.00 C ATOM 381 CD GLU A 22 -5.475 15.067 -7.669 1.00 0.00 C ATOM 382 OE1 GLU A 22 -5.672 15.179 -8.888 1.00 0.00 O ATOM 383 OE2 GLU A 22 -5.802 15.945 -6.783 1.00 0.00 O ATOM 0 H GLU A 22 -8.120 12.415 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.714 11.843 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.712 13.479 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.396 12.588 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.004 14.098 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.325 13.261 -7.930 1.00 0.00 H new ATOM 391 N LEU A 23 -6.122 10.023 -5.515 1.00 0.00 N ATOM 392 CA LEU A 23 -5.663 8.827 -4.829 1.00 0.00 C ATOM 393 C LEU A 23 -5.624 7.661 -5.818 1.00 0.00 C ATOM 394 O LEU A 23 -4.586 7.025 -5.993 1.00 0.00 O ATOM 395 CB LEU A 23 -6.521 8.556 -3.592 1.00 0.00 C ATOM 396 CG LEU A 23 -5.785 7.989 -2.376 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.453 7.358 -2.787 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.605 9.057 -1.296 1.00 0.00 C ATOM 0 H LEU A 23 -6.888 10.513 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.647 8.966 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.003 9.488 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.313 7.861 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.397 7.197 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.950 6.963 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.637 6.548 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.822 8.113 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.079 8.627 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.025 9.888 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.582 9.418 -0.975 1.00 0.00 H new ATOM 410 N ASP A 24 -6.769 7.414 -6.439 1.00 0.00 N ATOM 411 CA ASP A 24 -6.879 6.335 -7.406 1.00 0.00 C ATOM 412 C ASP A 24 -5.668 6.369 -8.341 1.00 0.00 C ATOM 413 O ASP A 24 -5.168 5.323 -8.752 1.00 0.00 O ATOM 414 CB ASP A 24 -8.140 6.487 -8.259 1.00 0.00 C ATOM 415 CG ASP A 24 -8.905 5.188 -8.518 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.831 4.832 -7.774 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.510 4.519 -9.549 1.00 0.00 O ATOM 0 H ASP A 24 -7.628 7.943 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.926 5.394 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.809 7.194 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.862 6.925 -9.218 1.00 0.00 H new ATOM 423 N LEU A 25 -5.232 7.581 -8.649 1.00 0.00 N ATOM 424 CA LEU A 25 -4.090 7.765 -9.528 1.00 0.00 C ATOM 425 C LEU A 25 -2.805 7.454 -8.758 1.00 0.00 C ATOM 426 O LEU A 25 -1.976 6.670 -9.218 1.00 0.00 O ATOM 427 CB LEU A 25 -4.111 9.162 -10.150 1.00 0.00 C ATOM 428 CG LEU A 25 -5.490 9.706 -10.531 1.00 0.00 C ATOM 429 CD1 LEU A 25 -5.379 11.105 -11.141 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.225 8.734 -11.457 1.00 0.00 C ATOM 0 H LEU A 25 -5.649 8.446 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.138 7.069 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.649 9.857 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.488 9.149 -11.044 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.084 9.798 -9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.373 11.468 -11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.924 11.782 -10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.761 11.063 -12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.202 9.144 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.643 8.588 -12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.354 7.777 -10.951 1.00 0.00 H new ATOM 442 N ILE A 26 -2.679 8.085 -7.600 1.00 0.00 N ATOM 443 CA ILE A 26 -1.509 7.885 -6.762 1.00 0.00 C ATOM 444 C ILE A 26 -1.180 6.393 -6.700 1.00 0.00 C ATOM 445 O ILE A 26 -0.055 5.989 -6.991 1.00 0.00 O ATOM 446 CB ILE A 26 -1.718 8.526 -5.389 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.968 10.030 -5.518 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.545 8.218 -4.456 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.827 10.545 -4.360 1.00 0.00 C ATOM 0 H ILE A 26 -3.368 8.735 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.642 8.385 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.610 8.089 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.016 10.560 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.465 10.240 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.719 8.685 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.455 7.139 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.376 8.610 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.990 11.617 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.788 10.030 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.316 10.356 -3.416 1.00 0.00 H new ATOM 461 N PHE A 27 -2.181 5.613 -6.319 1.00 0.00 N ATOM 462 CA PHE A 27 -2.012 4.174 -6.216 1.00 0.00 C ATOM 463 C PHE A 27 -1.403 3.600 -7.496 1.00 0.00 C ATOM 464 O PHE A 27 -0.714 2.581 -7.458 1.00 0.00 O ATOM 465 CB PHE A 27 -3.405 3.573 -6.014 1.00 0.00 C ATOM 466 CG PHE A 27 -4.017 3.868 -4.643 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.478 3.314 -3.524 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.100 4.684 -4.543 1.00 0.00 C ATOM 469 CE1 PHE A 27 -4.046 3.587 -2.252 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.668 4.958 -3.271 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.129 4.403 -2.152 1.00 0.00 C ATOM 0 H PHE A 27 -3.113 5.951 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.343 3.937 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.070 3.956 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.347 2.493 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.618 2.666 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.528 5.124 -5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.618 3.147 -1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.528 5.607 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.561 4.611 -1.184 1.00 0.00 H new ATOM 481 N GLY A 28 -1.678 4.279 -8.600 1.00 0.00 N ATOM 482 CA GLY A 28 -1.166 3.849 -9.890 1.00 0.00 C ATOM 483 C GLY A 28 0.361 3.750 -9.868 1.00 0.00 C ATOM 484 O GLY A 28 0.915 2.652 -9.841 1.00 0.00 O ATOM 0 H GLY A 28 -2.249 5.124 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.593 2.881 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.477 4.553 -10.662 1.00 0.00 H new ATOM 488 N ARG A 29 0.997 4.912 -9.882 1.00 0.00 N ATOM 489 CA ARG A 29 2.449 4.971 -9.864 1.00 0.00 C ATOM 490 C ARG A 29 2.995 4.239 -8.636 1.00 0.00 C ATOM 491 O ARG A 29 4.145 3.803 -8.629 1.00 0.00 O ATOM 492 CB ARG A 29 2.942 6.419 -9.847 1.00 0.00 C ATOM 493 CG ARG A 29 2.266 7.215 -8.729 1.00 0.00 C ATOM 494 CD ARG A 29 1.901 8.623 -9.202 1.00 0.00 C ATOM 495 NE ARG A 29 3.119 9.461 -9.286 1.00 0.00 N ATOM 496 CZ ARG A 29 3.186 10.634 -9.950 1.00 0.00 C ATOM 497 NH1 ARG A 29 2.103 11.120 -10.595 1.00 0.00 N ATOM 498 NH2 ARG A 29 4.326 11.300 -9.960 1.00 0.00 N ATOM 0 H ARG A 29 0.534 5.820 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 29 2.811 4.487 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.023 6.437 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.736 6.889 -10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.367 6.694 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.932 7.278 -7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.416 8.574 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.187 9.073 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 29 3.960 9.131 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.226 10.600 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.162 12.007 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.139 10.926 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.393 12.188 -10.457 1.00 0.00 H new ATOM 511 N PHE A 30 2.143 4.127 -7.627 1.00 0.00 N ATOM 512 CA PHE A 30 2.526 3.456 -6.396 1.00 0.00 C ATOM 513 C PHE A 30 2.533 1.937 -6.579 1.00 0.00 C ATOM 514 O PHE A 30 3.477 1.263 -6.170 1.00 0.00 O ATOM 515 CB PHE A 30 1.481 3.826 -5.342 1.00 0.00 C ATOM 516 CG PHE A 30 1.221 2.726 -4.310 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.119 2.503 -3.314 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.093 1.971 -4.390 1.00 0.00 C ATOM 519 CE1 PHE A 30 1.879 1.482 -2.356 1.00 0.00 C ATOM 520 CE2 PHE A 30 -0.148 0.950 -3.433 1.00 0.00 C ATOM 521 CZ PHE A 30 0.750 0.727 -2.436 1.00 0.00 C ATOM 0 H PHE A 30 1.190 4.489 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 30 3.529 3.764 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.807 4.727 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.544 4.068 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.015 3.102 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.620 2.148 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.592 1.305 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.044 0.351 -3.497 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.567 -0.049 -1.708 1.00 0.00 H new ATOM 531 N MET A 31 1.469 1.442 -7.194 1.00 0.00 N ATOM 532 CA MET A 31 1.341 0.015 -7.437 1.00 0.00 C ATOM 533 C MET A 31 2.312 -0.445 -8.526 1.00 0.00 C ATOM 534 O MET A 31 2.929 -1.503 -8.406 1.00 0.00 O ATOM 535 CB MET A 31 -0.094 -0.304 -7.863 1.00 0.00 C ATOM 536 CG MET A 31 -0.882 -0.930 -6.711 1.00 0.00 C ATOM 537 SD MET A 31 -2.090 0.230 -6.096 1.00 0.00 S ATOM 538 CE MET A 31 -3.461 -0.147 -7.176 1.00 0.00 C ATOM 0 H MET A 31 0.687 2.004 -7.531 1.00 0.00 H new ATOM 0 HA MET A 31 1.582 -0.515 -6.515 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.590 0.608 -8.194 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.082 -0.986 -8.713 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.379 -1.839 -7.051 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.202 -1.219 -5.909 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.002 0.770 -7.410 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.086 -0.593 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.132 -0.848 -6.681 1.00 0.00 H new ATOM 548 N GLU A 32 2.417 0.371 -9.564 1.00 0.00 N ATOM 549 CA GLU A 32 3.303 0.061 -10.673 1.00 0.00 C ATOM 550 C GLU A 32 4.686 -0.336 -10.154 1.00 0.00 C ATOM 551 O GLU A 32 5.408 -1.084 -10.810 1.00 0.00 O ATOM 552 CB GLU A 32 3.399 1.239 -11.644 1.00 0.00 C ATOM 553 CG GLU A 32 3.293 0.765 -13.095 1.00 0.00 C ATOM 554 CD GLU A 32 3.606 1.903 -14.068 1.00 0.00 C ATOM 555 OE1 GLU A 32 2.756 2.777 -14.295 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.782 1.860 -14.598 1.00 0.00 O ATOM 0 H GLU A 32 1.903 1.247 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 32 2.886 -0.785 -11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.604 1.955 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.345 1.760 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.983 -0.062 -13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.289 0.385 -13.285 1.00 0.00 H new ATOM 564 N LYS A 33 5.013 0.184 -8.980 1.00 0.00 N ATOM 565 CA LYS A 33 6.297 -0.106 -8.364 1.00 0.00 C ATOM 566 C LYS A 33 6.133 -1.260 -7.373 1.00 0.00 C ATOM 567 O LYS A 33 6.901 -2.220 -7.400 1.00 0.00 O ATOM 568 CB LYS A 33 6.892 1.159 -7.743 1.00 0.00 C ATOM 569 CG LYS A 33 8.409 1.032 -7.588 1.00 0.00 C ATOM 570 CD LYS A 33 8.833 1.265 -6.136 1.00 0.00 C ATOM 571 CE LYS A 33 10.339 1.055 -5.965 1.00 0.00 C ATOM 572 NZ LYS A 33 11.061 2.339 -6.113 1.00 0.00 N ATOM 0 H LYS A 33 4.411 0.805 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 33 7.016 -0.431 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.658 2.020 -8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.437 1.339 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.729 0.041 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.906 1.754 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.567 2.278 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.290 0.583 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.543 0.627 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.699 0.341 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.082 2.179 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.880 2.732 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.729 3.009 -5.390 1.00 0.00 H new ATOM 585 N GLU A 34 5.127 -1.127 -6.521 1.00 0.00 N ATOM 586 CA GLU A 34 4.852 -2.147 -5.522 1.00 0.00 C ATOM 587 C GLU A 34 4.091 -3.315 -6.152 1.00 0.00 C ATOM 588 O GLU A 34 4.674 -4.362 -6.431 1.00 0.00 O ATOM 589 CB GLU A 34 4.078 -1.561 -4.340 1.00 0.00 C ATOM 590 CG GLU A 34 5.004 -0.768 -3.416 1.00 0.00 C ATOM 591 CD GLU A 34 6.197 -1.619 -2.974 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.010 -2.737 -2.474 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.353 -1.079 -3.169 1.00 0.00 O ATOM 0 H GLU A 34 4.492 -0.329 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 34 5.802 -2.522 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.283 -0.912 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.600 -2.365 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.360 0.124 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.449 -0.431 -2.541 1.00 0.00 H new ATOM 601 N PHE A 35 2.801 -3.097 -6.358 1.00 0.00 N ATOM 602 CA PHE A 35 1.954 -4.119 -6.949 1.00 0.00 C ATOM 603 C PHE A 35 2.685 -4.852 -8.076 1.00 0.00 C ATOM 604 O PHE A 35 2.391 -6.012 -8.360 1.00 0.00 O ATOM 605 CB PHE A 35 0.731 -3.406 -7.530 1.00 0.00 C ATOM 606 CG PHE A 35 0.135 -4.095 -8.759 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.788 -5.081 -8.604 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.527 -3.720 -10.006 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.342 -5.721 -9.745 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.027 -4.359 -11.146 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.949 -5.346 -10.992 1.00 0.00 C ATOM 0 H PHE A 35 2.321 -2.227 -6.126 1.00 0.00 H new ATOM 0 HA PHE A 35 1.676 -4.854 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.036 -3.335 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.010 -2.387 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.100 -5.378 -7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.260 -2.936 -10.129 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.075 -6.505 -9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.284 -4.061 -12.136 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.369 -5.832 -11.860 1.00 0.00 H new ATOM 621 N GLU A 36 3.623 -4.144 -8.688 1.00 0.00 N ATOM 622 CA GLU A 36 4.399 -4.713 -9.777 1.00 0.00 C ATOM 623 C GLU A 36 4.675 -6.195 -9.515 1.00 0.00 C ATOM 624 O GLU A 36 4.190 -7.059 -10.243 1.00 0.00 O ATOM 625 CB GLU A 36 5.703 -3.940 -9.984 1.00 0.00 C ATOM 626 CG GLU A 36 6.107 -3.931 -11.459 1.00 0.00 C ATOM 627 CD GLU A 36 7.553 -4.398 -11.635 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.110 -5.043 -10.734 1.00 0.00 O ATOM 629 OE2 GLU A 36 8.100 -4.068 -12.756 1.00 0.00 O ATOM 0 H GLU A 36 3.863 -3.182 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 36 3.816 -4.629 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.583 -2.916 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.496 -4.392 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.440 -4.580 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.994 -2.926 -11.864 1.00 0.00 H new ATOM 637 N HIS A 37 5.454 -6.443 -8.472 1.00 0.00 N ATOM 638 CA HIS A 37 5.800 -7.806 -8.104 1.00 0.00 C ATOM 639 C HIS A 37 5.808 -7.940 -6.580 1.00 0.00 C ATOM 640 O HIS A 37 6.811 -8.344 -5.994 1.00 0.00 O ATOM 641 CB HIS A 37 7.128 -8.219 -8.743 1.00 0.00 C ATOM 642 CG HIS A 37 7.001 -9.329 -9.759 1.00 0.00 C ATOM 643 ND1 HIS A 37 8.017 -9.660 -10.638 1.00 0.00 N ATOM 644 CD2 HIS A 37 5.969 -10.180 -10.025 1.00 0.00 C ATOM 645 CE1 HIS A 37 7.604 -10.666 -11.395 1.00 0.00 C ATOM 646 NE2 HIS A 37 6.334 -10.986 -11.014 1.00 0.00 N ATOM 0 H HIS A 37 5.855 -5.724 -7.870 1.00 0.00 H new ATOM 0 HA HIS A 37 5.047 -8.494 -8.490 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.574 -7.349 -9.224 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.814 -8.536 -7.958 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.016 -10.195 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.173 -11.148 -12.176 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.759 -11.723 -11.422 1.00 0.00 H new ATOM 654 N LEU A 38 4.678 -7.593 -5.982 1.00 0.00 N ATOM 655 CA LEU A 38 4.542 -7.670 -4.537 1.00 0.00 C ATOM 656 C LEU A 38 4.862 -9.092 -4.074 1.00 0.00 C ATOM 657 O LEU A 38 5.421 -9.884 -4.831 1.00 0.00 O ATOM 658 CB LEU A 38 3.160 -7.178 -4.103 1.00 0.00 C ATOM 659 CG LEU A 38 2.968 -5.660 -4.066 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.502 -5.298 -3.824 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.897 -5.015 -3.035 1.00 0.00 C ATOM 0 H LEU A 38 3.848 -7.258 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 38 5.258 -7.008 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.417 -7.602 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.951 -7.575 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 38 3.241 -5.257 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.394 -4.214 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.889 -5.708 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.177 -5.714 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.741 -3.936 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.679 -5.419 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.934 -5.230 -3.295 1.00 0.00 H new ATOM 673 N SER A 39 4.494 -9.373 -2.833 1.00 0.00 N ATOM 674 CA SER A 39 4.735 -10.686 -2.259 1.00 0.00 C ATOM 675 C SER A 39 3.854 -10.889 -1.025 1.00 0.00 C ATOM 676 O SER A 39 3.456 -9.922 -0.377 1.00 0.00 O ATOM 677 CB SER A 39 6.210 -10.865 -1.893 1.00 0.00 C ATOM 678 OG SER A 39 7.007 -9.771 -2.339 1.00 0.00 O ATOM 0 H SER A 39 4.030 -8.713 -2.208 1.00 0.00 H new ATOM 0 HA SER A 39 4.480 -11.437 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.306 -10.966 -0.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.583 -11.789 -2.334 1.00 0.00 H new ATOM 0 HG SER A 39 7.941 -9.922 -2.085 1.00 0.00 H new ATOM 684 N ASP A 40 3.574 -12.152 -0.738 1.00 0.00 N ATOM 685 CA ASP A 40 2.747 -12.493 0.407 1.00 0.00 C ATOM 686 C ASP A 40 3.170 -11.644 1.607 1.00 0.00 C ATOM 687 O ASP A 40 2.350 -10.938 2.192 1.00 0.00 O ATOM 688 CB ASP A 40 2.913 -13.966 0.787 1.00 0.00 C ATOM 689 CG ASP A 40 2.376 -14.341 2.169 1.00 0.00 C ATOM 690 OD1 ASP A 40 3.080 -14.958 2.982 1.00 0.00 O ATOM 691 OD2 ASP A 40 1.163 -13.969 2.402 1.00 0.00 O ATOM 0 H ASP A 40 3.905 -12.951 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 40 1.707 -12.305 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.408 -14.578 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.972 -14.220 0.744 1.00 0.00 H new ATOM 697 N LYS A 41 4.449 -11.741 1.939 1.00 0.00 N ATOM 698 CA LYS A 41 4.990 -10.991 3.060 1.00 0.00 C ATOM 699 C LYS A 41 4.768 -9.496 2.821 1.00 0.00 C ATOM 700 O LYS A 41 4.580 -8.734 3.769 1.00 0.00 O ATOM 701 CB LYS A 41 6.454 -11.365 3.297 1.00 0.00 C ATOM 702 CG LYS A 41 6.970 -10.759 4.604 1.00 0.00 C ATOM 703 CD LYS A 41 6.862 -11.762 5.754 1.00 0.00 C ATOM 704 CE LYS A 41 5.572 -11.549 6.549 1.00 0.00 C ATOM 705 NZ LYS A 41 4.984 -12.849 6.942 1.00 0.00 N ATOM 0 H LYS A 41 5.126 -12.327 1.451 1.00 0.00 H new ATOM 0 HA LYS A 41 4.466 -11.249 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.555 -12.450 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.062 -11.013 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.009 -10.452 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.398 -9.862 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.886 -12.778 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.722 -11.657 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.780 -10.954 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.857 -10.986 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.109 -12.686 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.767 -13.404 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.662 -13.372 7.533 1.00 0.00 H new ATOM 718 N GLU A 42 4.797 -9.121 1.551 1.00 0.00 N ATOM 719 CA GLU A 42 4.602 -7.731 1.176 1.00 0.00 C ATOM 720 C GLU A 42 3.109 -7.418 1.057 1.00 0.00 C ATOM 721 O GLU A 42 2.718 -6.254 0.988 1.00 0.00 O ATOM 722 CB GLU A 42 5.336 -7.405 -0.126 1.00 0.00 C ATOM 723 CG GLU A 42 6.833 -7.212 0.123 1.00 0.00 C ATOM 724 CD GLU A 42 7.167 -5.734 0.338 1.00 0.00 C ATOM 725 OE1 GLU A 42 6.795 -4.888 -0.488 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.838 -5.477 1.409 1.00 0.00 O ATOM 0 H GLU A 42 4.953 -9.756 0.768 1.00 0.00 H new ATOM 0 HA GLU A 42 5.024 -7.102 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.184 -8.210 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.917 -6.500 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.137 -7.788 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.399 -7.597 -0.725 1.00 0.00 H new ATOM 734 N LEU A 43 2.315 -8.478 1.036 1.00 0.00 N ATOM 735 CA LEU A 43 0.873 -8.332 0.926 1.00 0.00 C ATOM 736 C LEU A 43 0.305 -7.889 2.275 1.00 0.00 C ATOM 737 O LEU A 43 -0.444 -6.916 2.349 1.00 0.00 O ATOM 738 CB LEU A 43 0.244 -9.617 0.385 1.00 0.00 C ATOM 739 CG LEU A 43 0.481 -9.909 -1.098 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.504 -10.959 -1.615 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.435 -8.622 -1.924 1.00 0.00 C ATOM 0 H LEU A 43 2.643 -9.442 1.093 1.00 0.00 H new ATOM 0 HA LEU A 43 0.623 -7.554 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.626 -10.457 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.831 -9.572 0.558 1.00 0.00 H new ATOM 0 HG LEU A 43 1.482 -10.326 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.313 -11.148 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.378 -11.884 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.524 -10.594 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.606 -8.857 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.542 -8.153 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.208 -7.938 -1.575 1.00 0.00 H new ATOM 753 N SER A 44 0.684 -8.624 3.311 1.00 0.00 N ATOM 754 CA SER A 44 0.222 -8.319 4.654 1.00 0.00 C ATOM 755 C SER A 44 0.259 -6.808 4.890 1.00 0.00 C ATOM 756 O SER A 44 -0.775 -6.190 5.140 1.00 0.00 O ATOM 757 CB SER A 44 1.068 -9.041 5.705 1.00 0.00 C ATOM 758 OG SER A 44 0.270 -9.831 6.582 1.00 0.00 O ATOM 0 H SER A 44 1.306 -9.430 3.247 1.00 0.00 H new ATOM 0 HA SER A 44 -0.805 -8.670 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.799 -9.678 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.628 -8.308 6.286 1.00 0.00 H new ATOM 0 HG SER A 44 0.847 -10.277 7.237 1.00 0.00 H new ATOM 764 N GLU A 45 1.460 -6.257 4.801 1.00 0.00 N ATOM 765 CA GLU A 45 1.646 -4.830 5.002 1.00 0.00 C ATOM 766 C GLU A 45 0.641 -4.041 4.160 1.00 0.00 C ATOM 767 O GLU A 45 -0.075 -3.187 4.680 1.00 0.00 O ATOM 768 CB GLU A 45 3.081 -4.412 4.677 1.00 0.00 C ATOM 769 CG GLU A 45 3.561 -5.063 3.378 1.00 0.00 C ATOM 770 CD GLU A 45 3.708 -4.023 2.266 1.00 0.00 C ATOM 771 OE1 GLU A 45 4.498 -4.222 1.331 1.00 0.00 O ATOM 772 OE2 GLU A 45 2.964 -2.977 2.396 1.00 0.00 O ATOM 0 H GLU A 45 2.315 -6.773 4.592 1.00 0.00 H new ATOM 0 HA GLU A 45 1.467 -4.605 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.136 -3.327 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.741 -4.697 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.517 -5.558 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.854 -5.833 3.070 1.00 0.00 H new ATOM 780 N PHE A 46 0.621 -4.354 2.873 1.00 0.00 N ATOM 781 CA PHE A 46 -0.284 -3.685 1.953 1.00 0.00 C ATOM 782 C PHE A 46 -1.730 -3.776 2.444 1.00 0.00 C ATOM 783 O PHE A 46 -2.438 -2.770 2.490 1.00 0.00 O ATOM 784 CB PHE A 46 -0.168 -4.405 0.608 1.00 0.00 C ATOM 785 CG PHE A 46 0.423 -3.544 -0.510 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.759 -3.289 -0.537 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.386 -3.033 -1.476 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.308 -2.489 -1.575 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.162 -2.234 -2.513 1.00 0.00 C ATOM 790 CZ PHE A 46 1.498 -1.979 -2.541 1.00 0.00 C ATOM 0 H PHE A 46 1.217 -5.062 2.445 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.021 -2.630 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.452 -5.293 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.157 -4.748 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.402 -3.694 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.447 -3.235 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.369 -2.286 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.481 -1.828 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.915 -1.372 -3.330 1.00 0.00 H new ATOM 800 N SER A 47 -2.126 -4.989 2.798 1.00 0.00 N ATOM 801 CA SER A 47 -3.475 -5.224 3.284 1.00 0.00 C ATOM 802 C SER A 47 -3.685 -4.501 4.615 1.00 0.00 C ATOM 803 O SER A 47 -4.744 -3.920 4.850 1.00 0.00 O ATOM 804 CB SER A 47 -3.750 -6.721 3.444 1.00 0.00 C ATOM 805 OG SER A 47 -2.572 -7.502 3.266 1.00 0.00 O ATOM 0 H SER A 47 -1.536 -5.820 2.758 1.00 0.00 H new ATOM 0 HA SER A 47 -4.177 -4.830 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.164 -6.910 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.503 -7.031 2.720 1.00 0.00 H new ATOM 0 HG SER A 47 -2.127 -7.238 2.434 1.00 0.00 H new ATOM 811 N GLU A 48 -2.660 -4.559 5.452 1.00 0.00 N ATOM 812 CA GLU A 48 -2.719 -3.916 6.754 1.00 0.00 C ATOM 813 C GLU A 48 -2.781 -2.396 6.593 1.00 0.00 C ATOM 814 O GLU A 48 -3.524 -1.722 7.305 1.00 0.00 O ATOM 815 CB GLU A 48 -1.529 -4.328 7.624 1.00 0.00 C ATOM 816 CG GLU A 48 -1.940 -4.451 9.092 1.00 0.00 C ATOM 817 CD GLU A 48 -2.342 -5.888 9.430 1.00 0.00 C ATOM 818 OE1 GLU A 48 -3.220 -6.459 8.767 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.705 -6.414 10.422 1.00 0.00 O ATOM 0 H GLU A 48 -1.783 -5.041 5.254 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.627 -4.245 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.130 -5.280 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.731 -3.592 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.114 -4.141 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.773 -3.779 9.298 1.00 0.00 H new ATOM 827 N ILE A 49 -1.989 -1.900 5.654 1.00 0.00 N ATOM 828 CA ILE A 49 -1.944 -0.471 5.391 1.00 0.00 C ATOM 829 C ILE A 49 -3.204 -0.058 4.628 1.00 0.00 C ATOM 830 O ILE A 49 -3.902 0.871 5.032 1.00 0.00 O ATOM 831 CB ILE A 49 -0.643 -0.099 4.677 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.228 0.798 5.558 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.928 0.538 3.315 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.348 1.447 4.743 1.00 0.00 C ATOM 0 H ILE A 49 -1.373 -2.462 5.066 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.939 0.089 6.326 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.080 -1.014 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.388 1.572 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.658 0.210 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.013 0.793 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.479 -0.166 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.521 1.442 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.952 2.079 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.976 0.671 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.915 2.054 3.948 1.00 0.00 H new ATOM 846 N LEU A 50 -3.458 -0.768 3.538 1.00 0.00 N ATOM 847 CA LEU A 50 -4.622 -0.487 2.715 1.00 0.00 C ATOM 848 C LEU A 50 -5.847 -0.312 3.615 1.00 0.00 C ATOM 849 O LEU A 50 -6.790 0.391 3.256 1.00 0.00 O ATOM 850 CB LEU A 50 -4.795 -1.566 1.645 1.00 0.00 C ATOM 851 CG LEU A 50 -3.868 -1.461 0.432 1.00 0.00 C ATOM 852 CD1 LEU A 50 -4.070 -2.645 -0.517 1.00 0.00 C ATOM 853 CD2 LEU A 50 -4.046 -0.119 -0.281 1.00 0.00 C ATOM 0 H LEU A 50 -2.877 -1.538 3.206 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.488 0.449 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.643 -2.540 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.826 -1.539 1.293 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.838 -1.503 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.399 -2.546 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.853 -3.574 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.102 -2.659 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.375 -0.071 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.077 -0.021 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.812 0.693 0.408 1.00 0.00 H new ATOM 865 N GLU A 51 -5.793 -0.963 4.768 1.00 0.00 N ATOM 866 CA GLU A 51 -6.887 -0.888 5.721 1.00 0.00 C ATOM 867 C GLU A 51 -7.462 0.529 5.759 1.00 0.00 C ATOM 868 O GLU A 51 -8.662 0.710 5.960 1.00 0.00 O ATOM 869 CB GLU A 51 -6.432 -1.332 7.113 1.00 0.00 C ATOM 870 CG GLU A 51 -6.251 -2.850 7.173 1.00 0.00 C ATOM 871 CD GLU A 51 -7.275 -3.487 8.115 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.094 -3.454 9.341 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.289 -4.030 7.531 1.00 0.00 O ATOM 0 H GLU A 51 -5.009 -1.545 5.063 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.673 -1.569 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.493 -0.840 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.166 -1.020 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.358 -3.272 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.243 -3.087 7.512 1.00 0.00 H new ATOM 881 N PHE A 52 -6.580 1.497 5.561 1.00 0.00 N ATOM 882 CA PHE A 52 -6.986 2.892 5.570 1.00 0.00 C ATOM 883 C PHE A 52 -7.553 3.307 4.211 1.00 0.00 C ATOM 884 O PHE A 52 -7.188 2.739 3.182 1.00 0.00 O ATOM 885 CB PHE A 52 -5.732 3.721 5.860 1.00 0.00 C ATOM 886 CG PHE A 52 -5.649 4.241 7.296 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.503 5.212 7.718 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.721 3.734 8.151 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.426 5.695 9.051 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.643 4.218 9.484 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.498 5.188 9.906 1.00 0.00 C ATOM 0 H PHE A 52 -5.586 1.343 5.393 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.761 3.049 6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.851 3.113 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.703 4.569 5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.240 5.616 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.043 2.963 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.105 6.465 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.905 3.816 10.162 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.440 5.555 10.920 1.00 0.00 H new ATOM 901 N GLN A 53 -8.437 4.292 4.250 1.00 0.00 N ATOM 902 CA GLN A 53 -9.059 4.789 3.035 1.00 0.00 C ATOM 903 C GLN A 53 -8.174 5.853 2.382 1.00 0.00 C ATOM 904 O GLN A 53 -7.137 6.224 2.930 1.00 0.00 O ATOM 905 CB GLN A 53 -10.458 5.340 3.320 1.00 0.00 C ATOM 906 CG GLN A 53 -11.107 4.607 4.495 1.00 0.00 C ATOM 907 CD GLN A 53 -12.593 4.354 4.231 1.00 0.00 C ATOM 908 OE1 GLN A 53 -12.989 3.336 3.689 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.390 5.336 4.644 1.00 0.00 N ATOM 0 H GLN A 53 -8.738 4.760 5.105 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.167 3.957 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.395 6.405 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.082 5.235 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.597 3.658 4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.991 5.196 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.992 6.162 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.399 5.263 4.514 1.00 0.00 H new ATOM 918 N ASP A 54 -8.615 6.313 1.220 1.00 0.00 N ATOM 919 CA ASP A 54 -7.875 7.326 0.487 1.00 0.00 C ATOM 920 C ASP A 54 -7.805 8.605 1.324 1.00 0.00 C ATOM 921 O ASP A 54 -6.718 9.062 1.675 1.00 0.00 O ATOM 922 CB ASP A 54 -8.566 7.663 -0.835 1.00 0.00 C ATOM 923 CG ASP A 54 -8.709 6.491 -1.808 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.509 5.325 -1.437 1.00 0.00 O ATOM 925 OD2 ASP A 54 -9.045 6.818 -3.010 1.00 0.00 O ATOM 0 H ASP A 54 -9.475 6.003 0.768 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.878 6.935 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.558 8.059 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.006 8.458 -1.328 1.00 0.00 H new ATOM 931 N GLN A 55 -8.977 9.146 1.619 1.00 0.00 N ATOM 932 CA GLN A 55 -9.062 10.364 2.408 1.00 0.00 C ATOM 933 C GLN A 55 -8.070 10.312 3.571 1.00 0.00 C ATOM 934 O GLN A 55 -7.280 11.236 3.759 1.00 0.00 O ATOM 935 CB GLN A 55 -10.488 10.591 2.913 1.00 0.00 C ATOM 936 CG GLN A 55 -10.840 12.080 2.911 1.00 0.00 C ATOM 937 CD GLN A 55 -12.352 12.286 2.801 1.00 0.00 C ATOM 938 OE1 GLN A 55 -13.122 11.890 3.660 1.00 0.00 O ATOM 939 NE2 GLN A 55 -12.732 12.928 1.700 1.00 0.00 N ATOM 0 H GLN A 55 -9.876 8.764 1.326 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.800 11.207 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.192 10.047 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.588 10.191 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.472 12.546 3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.340 12.574 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.035 13.232 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.721 13.116 1.535 1.00 0.00 H new ATOM 948 N GLU A 56 -8.144 9.223 4.322 1.00 0.00 N ATOM 949 CA GLU A 56 -7.262 9.040 5.463 1.00 0.00 C ATOM 950 C GLU A 56 -5.818 8.850 4.992 1.00 0.00 C ATOM 951 O GLU A 56 -4.890 9.390 5.592 1.00 0.00 O ATOM 952 CB GLU A 56 -7.717 7.860 6.324 1.00 0.00 C ATOM 953 CG GLU A 56 -8.990 8.207 7.100 1.00 0.00 C ATOM 954 CD GLU A 56 -8.761 9.408 8.019 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.884 10.560 7.576 1.00 0.00 O ATOM 956 OE2 GLU A 56 -8.446 9.113 9.234 1.00 0.00 O ATOM 0 H GLU A 56 -8.801 8.459 4.163 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.308 9.937 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.898 6.991 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.925 7.587 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.797 8.428 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.306 7.347 7.691 1.00 0.00 H new ATOM 964 N LEU A 57 -5.675 8.081 3.923 1.00 0.00 N ATOM 965 CA LEU A 57 -4.360 7.813 3.365 1.00 0.00 C ATOM 966 C LEU A 57 -3.685 9.138 3.002 1.00 0.00 C ATOM 967 O LEU A 57 -2.635 9.473 3.548 1.00 0.00 O ATOM 968 CB LEU A 57 -4.464 6.835 2.193 1.00 0.00 C ATOM 969 CG LEU A 57 -3.170 6.575 1.419 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.176 5.779 2.267 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.459 5.891 0.081 1.00 0.00 C ATOM 0 H LEU A 57 -6.447 7.635 3.428 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.726 7.323 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.835 5.883 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.211 7.213 1.495 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.706 7.536 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.265 5.607 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.937 6.341 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.618 4.821 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.522 5.718 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.957 4.938 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.104 6.530 -0.522 1.00 0.00 H new ATOM 983 N LEU A 58 -4.316 9.854 2.083 1.00 0.00 N ATOM 984 CA LEU A 58 -3.789 11.134 1.641 1.00 0.00 C ATOM 985 C LEU A 58 -3.305 11.929 2.856 1.00 0.00 C ATOM 986 O LEU A 58 -2.135 12.298 2.935 1.00 0.00 O ATOM 987 CB LEU A 58 -4.825 11.876 0.795 1.00 0.00 C ATOM 988 CG LEU A 58 -4.269 12.758 -0.325 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.623 11.910 -1.422 1.00 0.00 C ATOM 990 CD2 LEU A 58 -5.351 13.686 -0.881 1.00 0.00 C ATOM 0 H LEU A 58 -5.187 9.572 1.633 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.926 10.987 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.497 11.141 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.426 12.499 1.457 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.487 13.390 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.236 12.562 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.805 11.328 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.367 11.235 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.929 14.302 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.171 13.090 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.724 14.328 -0.083 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.231 12.169 3.773 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.913 12.912 4.980 1.00 0.00 C ATOM 1004 C ALA A 59 -2.699 12.277 5.661 1.00 0.00 C ATOM 1005 O ALA A 59 -1.744 12.971 6.008 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.140 12.951 5.894 1.00 0.00 C ATOM 0 H ALA A 59 -5.201 11.862 3.704 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.653 13.943 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.901 13.509 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.965 13.438 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.428 11.934 6.159 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.775 10.966 5.832 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.694 10.230 6.465 1.00 0.00 C ATOM 1014 C LEU A 60 -0.374 10.578 5.775 1.00 0.00 C ATOM 1015 O LEU A 60 0.528 11.137 6.398 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.003 8.731 6.480 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.590 8.181 7.781 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.343 6.872 7.533 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.506 8.025 8.849 1.00 0.00 C ATOM 0 H LEU A 60 -3.569 10.394 5.543 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.595 10.522 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.700 8.516 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.083 8.188 6.261 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.314 8.902 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.750 6.503 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.157 7.048 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.659 6.132 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.950 7.632 9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.741 7.336 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.054 8.996 9.053 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.301 10.233 4.498 1.00 0.00 N ATOM 1032 CA ILE A 61 0.894 10.503 3.717 1.00 0.00 C ATOM 1033 C ILE A 61 1.342 11.946 3.959 1.00 0.00 C ATOM 1034 O ILE A 61 2.530 12.210 4.136 1.00 0.00 O ATOM 1035 CB ILE A 61 0.657 10.171 2.242 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.601 8.658 2.022 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.707 10.841 1.354 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.071 8.326 0.626 1.00 0.00 C ATOM 0 H ILE A 61 -1.050 9.769 3.985 1.00 0.00 H new ATOM 0 HA ILE A 61 1.712 9.858 4.037 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.314 10.574 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.596 8.232 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.039 8.201 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.516 10.589 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.655 11.922 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.700 10.490 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.041 7.244 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.934 8.733 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.727 8.764 -0.126 1.00 0.00 H new ATOM 1050 N ASN A 62 0.366 12.842 3.958 1.00 0.00 N ATOM 1051 CA ASN A 62 0.645 14.252 4.175 1.00 0.00 C ATOM 1052 C ASN A 62 1.135 14.455 5.610 1.00 0.00 C ATOM 1053 O ASN A 62 1.956 15.333 5.870 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.615 15.098 3.981 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.778 15.512 2.517 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.560 16.652 2.140 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.171 14.526 1.717 1.00 0.00 N ATOM 0 H ASN A 62 -0.618 12.619 3.810 1.00 0.00 H new ATOM 0 HA ASN A 62 1.402 14.562 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.490 14.533 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.561 15.987 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.308 14.701 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.336 13.595 2.099 1.00 0.00 H new ATOM 1064 N GLY A 63 0.610 13.629 6.503 1.00 0.00 N ATOM 1065 CA GLY A 63 0.985 13.707 7.905 1.00 0.00 C ATOM 1066 C GLY A 63 -0.181 14.217 8.756 1.00 0.00 C ATOM 1067 O GLY A 63 0.030 14.793 9.822 1.00 0.00 O ATOM 0 H GLY A 63 -0.072 12.903 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.295 12.723 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.842 14.371 8.020 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.384 13.985 8.253 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.583 14.414 8.953 1.00 0.00 C ATOM 1073 C HIS A 64 -2.975 13.360 9.990 1.00 0.00 C ATOM 1074 O HIS A 64 -2.646 13.490 11.168 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.710 14.720 7.964 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.082 16.182 7.892 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.255 17.140 7.332 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -5.201 16.839 8.314 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -3.858 18.316 7.419 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.064 18.128 8.029 1.00 0.00 N ATOM 0 H HIS A 64 -1.555 13.505 7.369 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.384 15.344 9.486 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.411 14.382 6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.592 14.144 8.244 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.054 16.387 8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.464 19.259 7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.747 18.858 8.232 1.00 0.00 H new ATOM 1088 N SER A 65 -3.674 12.339 9.515 1.00 0.00 N ATOM 1089 CA SER A 65 -4.115 11.263 10.386 1.00 0.00 C ATOM 1090 C SER A 65 -2.904 10.526 10.962 1.00 0.00 C ATOM 1091 O SER A 65 -1.766 10.812 10.592 1.00 0.00 O ATOM 1092 CB SER A 65 -5.024 10.286 9.639 1.00 0.00 C ATOM 1093 OG SER A 65 -6.330 10.232 10.206 1.00 0.00 O ATOM 0 H SER A 65 -3.946 12.235 8.537 1.00 0.00 H new ATOM 0 HA SER A 65 -4.690 11.699 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.095 10.584 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.579 9.291 9.657 1.00 0.00 H new ATOM 0 HG SER A 65 -6.907 9.673 9.645 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.190 9.592 11.857 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.138 8.812 12.487 1.00 0.00 C ATOM 1101 C GLU A 66 -2.402 7.317 12.300 1.00 0.00 C ATOM 1102 O GLU A 66 -3.464 6.926 11.818 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.008 9.165 13.970 1.00 0.00 C ATOM 1104 CG GLU A 66 -0.971 10.270 14.182 1.00 0.00 C ATOM 1105 CD GLU A 66 0.158 9.793 15.097 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -0.067 9.567 16.296 1.00 0.00 O ATOM 1107 OE2 GLU A 66 1.305 9.658 14.522 1.00 0.00 O ATOM 0 H GLU A 66 -4.135 9.358 12.161 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.192 9.057 12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.974 9.489 14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.720 8.278 14.535 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.560 10.577 13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.452 11.146 14.618 1.00 0.00 H new ATOM 1115 N THR A 67 -1.417 6.522 12.690 1.00 0.00 N ATOM 1116 CA THR A 67 -1.529 5.078 12.571 1.00 0.00 C ATOM 1117 C THR A 67 -1.352 4.415 13.938 1.00 0.00 C ATOM 1118 O THR A 67 -0.311 4.567 14.576 1.00 0.00 O ATOM 1119 CB THR A 67 -0.509 4.608 11.532 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.092 3.431 10.980 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.792 4.116 12.169 1.00 0.00 C ATOM 0 H THR A 67 -0.537 6.850 13.089 1.00 0.00 H new ATOM 0 HA THR A 67 -2.522 4.786 12.229 1.00 0.00 H new ATOM 0 HB THR A 67 -0.290 5.425 10.844 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.081 3.488 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.481 3.794 11.388 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.245 4.925 12.742 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.578 3.278 12.832 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.385 3.693 14.348 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.357 3.006 15.628 1.00 0.00 C ATOM 1131 C ASP A 68 -1.547 1.715 15.492 1.00 0.00 C ATOM 1132 O ASP A 68 -1.405 0.962 16.454 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.769 2.632 16.084 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.133 3.086 17.499 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.746 4.147 17.691 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.755 2.290 18.441 1.00 0.00 O ATOM 0 H ASP A 68 -3.247 3.569 13.816 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.907 3.677 16.360 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.486 3.062 15.385 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.878 1.549 16.027 1.00 0.00 H new ATOM 1142 N LYS A 69 -1.037 1.499 14.288 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.245 0.312 14.014 1.00 0.00 C ATOM 1144 C LYS A 69 1.154 0.732 13.558 1.00 0.00 C ATOM 1145 O LYS A 69 1.338 1.155 12.418 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.969 -0.597 13.018 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.446 -0.749 13.389 1.00 0.00 C ATOM 1148 CD LYS A 69 -3.275 -1.172 12.174 1.00 0.00 C ATOM 1149 CE LYS A 69 -4.772 -1.070 12.471 1.00 0.00 C ATOM 1150 NZ LYS A 69 -5.245 0.319 12.279 1.00 0.00 N ATOM 0 H LYS A 69 -1.157 2.125 13.492 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.121 -0.281 14.920 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.883 -0.183 12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.492 -1.577 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.551 -1.490 14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.825 0.194 13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.026 -0.541 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.024 -2.196 11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.325 -1.743 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.968 -1.389 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.263 0.371 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.729 0.953 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.075 0.611 11.295 1.00 0.00 H new ATOM 1163 N GLY A 70 2.104 0.600 14.472 1.00 0.00 N ATOM 1164 CA GLY A 70 3.481 0.960 14.178 1.00 0.00 C ATOM 1165 C GLY A 70 4.085 0.014 13.138 1.00 0.00 C ATOM 1166 O GLY A 70 5.191 0.245 12.653 1.00 0.00 O ATOM 0 H GLY A 70 1.947 0.249 15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.522 1.985 13.810 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.073 0.926 15.093 1.00 0.00 H new ATOM 1170 N HIS A 71 3.332 -1.031 12.828 1.00 0.00 N ATOM 1171 CA HIS A 71 3.780 -2.013 11.854 1.00 0.00 C ATOM 1172 C HIS A 71 3.682 -1.421 10.447 1.00 0.00 C ATOM 1173 O HIS A 71 4.098 -2.050 9.475 1.00 0.00 O ATOM 1174 CB HIS A 71 3.000 -3.320 12.004 1.00 0.00 C ATOM 1175 CG HIS A 71 3.702 -4.362 12.842 1.00 0.00 C ATOM 1176 ND1 HIS A 71 3.910 -4.214 14.202 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.241 -5.567 12.499 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.547 -5.288 14.647 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.751 -6.125 13.590 1.00 0.00 N ATOM 0 H HIS A 71 2.415 -1.219 13.233 1.00 0.00 H new ATOM 0 HA HIS A 71 4.826 -2.260 12.034 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.030 -3.103 12.451 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.810 -3.733 11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.251 -5.995 11.507 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.851 -5.468 15.668 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.218 -7.031 13.631 1.00 0.00 H new ATOM 1187 N LEU A 72 3.130 -0.219 10.382 1.00 0.00 N ATOM 1188 CA LEU A 72 2.972 0.464 9.109 1.00 0.00 C ATOM 1189 C LEU A 72 4.019 1.575 8.998 1.00 0.00 C ATOM 1190 O LEU A 72 4.334 2.028 7.899 1.00 0.00 O ATOM 1191 CB LEU A 72 1.533 0.956 8.940 1.00 0.00 C ATOM 1192 CG LEU A 72 0.437 -0.008 9.397 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.827 0.753 9.805 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.151 -1.061 8.325 1.00 0.00 C ATOM 0 H LEU A 72 2.786 0.300 11.190 1.00 0.00 H new ATOM 0 HA LEU A 72 3.148 -0.225 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.422 1.889 9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.370 1.187 7.887 1.00 0.00 H new ATOM 0 HG LEU A 72 0.794 -0.537 10.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.591 0.044 10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.594 1.432 10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.197 1.325 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.632 -1.734 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.177 -0.568 7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.058 -1.632 8.125 1.00 0.00 H new ATOM 1206 N ILE A 73 4.528 1.981 10.152 1.00 0.00 N ATOM 1207 CA ILE A 73 5.533 3.030 10.198 1.00 0.00 C ATOM 1208 C ILE A 73 6.579 2.777 9.111 1.00 0.00 C ATOM 1209 O ILE A 73 6.939 3.688 8.367 1.00 0.00 O ATOM 1210 CB ILE A 73 6.123 3.145 11.605 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.297 4.098 12.471 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.597 3.553 11.550 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.134 4.660 13.621 1.00 0.00 C ATOM 0 H ILE A 73 4.264 1.603 11.062 1.00 0.00 H new ATOM 0 HA ILE A 73 5.082 3.999 9.986 1.00 0.00 H new ATOM 0 HB ILE A 73 6.078 2.163 12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.919 4.916 11.858 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.430 3.572 12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.992 3.628 12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.161 2.804 10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.689 4.519 11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.522 5.334 14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.490 3.841 14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.987 5.206 13.217 1.00 0.00 H new ATOM 1225 N PRO A 74 7.049 1.502 9.051 1.00 0.00 N ATOM 1226 CA PRO A 74 8.047 1.118 8.068 1.00 0.00 C ATOM 1227 C PRO A 74 7.424 0.990 6.676 1.00 0.00 C ATOM 1228 O PRO A 74 7.912 1.584 5.716 1.00 0.00 O ATOM 1229 CB PRO A 74 8.624 -0.190 8.583 1.00 0.00 C ATOM 1230 CG PRO A 74 7.613 -0.727 9.583 1.00 0.00 C ATOM 1231 CD PRO A 74 6.645 0.398 9.916 1.00 0.00 C ATOM 0 HA PRO A 74 8.832 1.865 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.779 -0.896 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.593 -0.030 9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.078 -1.580 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.116 -1.077 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.613 0.102 9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.707 0.676 10.968 1.00 0.00 H new ATOM 1239 N MET A 75 6.354 0.210 6.611 1.00 0.00 N ATOM 1240 CA MET A 75 5.659 -0.003 5.353 1.00 0.00 C ATOM 1241 C MET A 75 5.232 1.327 4.730 1.00 0.00 C ATOM 1242 O MET A 75 5.015 1.409 3.522 1.00 0.00 O ATOM 1243 CB MET A 75 4.424 -0.874 5.594 1.00 0.00 C ATOM 1244 CG MET A 75 4.779 -2.113 6.418 1.00 0.00 C ATOM 1245 SD MET A 75 6.324 -2.802 5.850 1.00 0.00 S ATOM 1246 CE MET A 75 5.989 -2.915 4.101 1.00 0.00 C ATOM 0 H MET A 75 5.952 -0.282 7.409 1.00 0.00 H new ATOM 0 HA MET A 75 6.339 -0.503 4.664 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.661 -0.294 6.113 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.997 -1.178 4.638 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.855 -1.849 7.473 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.986 -2.856 6.332 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.978 -3.962 3.800 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.019 -2.465 3.886 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.765 -2.386 3.547 1.00 0.00 H new ATOM 1256 N LEU A 76 5.125 2.336 5.582 1.00 0.00 N ATOM 1257 CA LEU A 76 4.728 3.659 5.129 1.00 0.00 C ATOM 1258 C LEU A 76 5.909 4.326 4.422 1.00 0.00 C ATOM 1259 O LEU A 76 5.718 5.113 3.496 1.00 0.00 O ATOM 1260 CB LEU A 76 4.167 4.477 6.294 1.00 0.00 C ATOM 1261 CG LEU A 76 2.643 4.488 6.432 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.204 5.391 7.587 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.975 4.879 5.112 1.00 0.00 C ATOM 0 H LEU A 76 5.306 2.264 6.583 1.00 0.00 H new ATOM 0 HA LEU A 76 3.920 3.587 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.593 4.093 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.510 5.506 6.188 1.00 0.00 H new ATOM 0 HG LEU A 76 2.314 3.477 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.117 5.381 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.637 5.026 8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.546 6.410 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.892 4.879 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.306 5.875 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.250 4.162 4.339 1.00 0.00 H new ATOM 1275 N GLU A 77 7.104 3.988 4.884 1.00 0.00 N ATOM 1276 CA GLU A 77 8.315 4.544 4.307 1.00 0.00 C ATOM 1277 C GLU A 77 8.505 4.034 2.877 1.00 0.00 C ATOM 1278 O GLU A 77 8.609 4.825 1.941 1.00 0.00 O ATOM 1279 CB GLU A 77 9.535 4.218 5.172 1.00 0.00 C ATOM 1280 CG GLU A 77 9.865 5.379 6.113 1.00 0.00 C ATOM 1281 CD GLU A 77 10.731 6.426 5.409 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.457 6.093 4.460 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.631 7.622 5.880 1.00 0.00 O ATOM 0 H GLU A 77 7.259 3.335 5.652 1.00 0.00 H new ATOM 0 HA GLU A 77 8.213 5.629 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.342 3.317 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.393 4.008 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.942 5.841 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.387 5.002 6.993 1.00 0.00 H new ATOM 1291 N LYS A 78 8.545 2.716 2.754 1.00 0.00 N ATOM 1292 CA LYS A 78 8.720 2.091 1.454 1.00 0.00 C ATOM 1293 C LYS A 78 7.632 2.591 0.501 1.00 0.00 C ATOM 1294 O LYS A 78 7.926 3.010 -0.617 1.00 0.00 O ATOM 1295 CB LYS A 78 8.763 0.568 1.593 1.00 0.00 C ATOM 1296 CG LYS A 78 7.593 0.061 2.439 1.00 0.00 C ATOM 1297 CD LYS A 78 6.639 -0.791 1.600 1.00 0.00 C ATOM 1298 CE LYS A 78 7.250 -2.160 1.294 1.00 0.00 C ATOM 1299 NZ LYS A 78 7.424 -2.335 -0.166 1.00 0.00 N ATOM 0 H LYS A 78 8.459 2.063 3.533 1.00 0.00 H new ATOM 0 HA LYS A 78 9.679 2.376 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.728 0.108 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.705 0.268 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.972 -0.527 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.053 0.907 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.697 -0.920 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.409 -0.275 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.213 -2.255 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.607 -2.948 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.796 -3.093 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.186 -1.447 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.412 -2.588 -0.370 1.00 0.00 H new ATOM 1312 N ILE A 79 6.398 2.530 0.980 1.00 0.00 N ATOM 1313 CA ILE A 79 5.265 2.972 0.185 1.00 0.00 C ATOM 1314 C ILE A 79 5.396 4.470 -0.095 1.00 0.00 C ATOM 1315 O ILE A 79 5.596 4.877 -1.238 1.00 0.00 O ATOM 1316 CB ILE A 79 3.950 2.586 0.865 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.827 1.067 0.998 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.754 3.197 0.133 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.724 0.691 1.990 1.00 0.00 C ATOM 0 H ILE A 79 6.158 2.181 1.908 1.00 0.00 H new ATOM 0 HA ILE A 79 5.258 2.467 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 79 3.953 2.998 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.609 0.629 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.777 0.649 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.832 2.907 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.842 4.283 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.734 2.837 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.657 -0.394 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.957 1.110 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.771 1.090 1.643 1.00 0.00 H new ATOM 1331 N ARG A 80 5.278 5.251 0.970 1.00 0.00 N ATOM 1332 CA ARG A 80 5.381 6.695 0.853 1.00 0.00 C ATOM 1333 C ARG A 80 6.451 7.070 -0.175 1.00 0.00 C ATOM 1334 O ARG A 80 6.337 8.093 -0.849 1.00 0.00 O ATOM 1335 CB ARG A 80 5.732 7.333 2.199 1.00 0.00 C ATOM 1336 CG ARG A 80 5.881 8.850 2.065 1.00 0.00 C ATOM 1337 CD ARG A 80 6.067 9.505 3.435 1.00 0.00 C ATOM 1338 NE ARG A 80 7.508 9.612 3.754 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.001 10.302 4.805 1.00 0.00 C ATOM 1340 NH1 ARG A 80 7.172 10.952 5.648 1.00 0.00 N ATOM 1341 NH2 ARG A 80 9.307 10.330 4.995 1.00 0.00 N ATOM 0 H ARG A 80 5.112 4.910 1.917 1.00 0.00 H new ATOM 0 HA ARG A 80 4.411 7.071 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.955 7.103 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.660 6.905 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.735 9.080 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.999 9.264 1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.611 10.495 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.560 8.917 4.200 1.00 0.00 H new ATOM 0 HE ARG A 80 8.170 9.135 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.164 10.925 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.553 11.471 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.926 9.835 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.697 10.846 5.784 1.00 0.00 H new ATOM 1354 N ARG A 81 7.465 6.222 -0.263 1.00 0.00 N ATOM 1355 CA ARG A 81 8.553 6.451 -1.198 1.00 0.00 C ATOM 1356 C ARG A 81 8.010 6.586 -2.622 1.00 0.00 C ATOM 1357 O ARG A 81 8.100 7.653 -3.226 1.00 0.00 O ATOM 1358 CB ARG A 81 9.569 5.308 -1.152 1.00 0.00 C ATOM 1359 CG ARG A 81 11.001 5.845 -1.176 1.00 0.00 C ATOM 1360 CD ARG A 81 11.866 5.057 -2.162 1.00 0.00 C ATOM 1361 NE ARG A 81 13.155 5.752 -2.372 1.00 0.00 N ATOM 1362 CZ ARG A 81 14.191 5.234 -3.066 1.00 0.00 C ATOM 1363 NH1 ARG A 81 14.097 4.007 -3.622 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.297 5.943 -3.191 1.00 0.00 N ATOM 0 H ARG A 81 7.556 5.375 0.298 1.00 0.00 H new ATOM 0 HA ARG A 81 9.051 7.376 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.414 4.715 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.412 4.643 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.993 6.899 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.433 5.783 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.044 4.052 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.343 4.949 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 81 13.268 6.681 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.239 3.465 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.884 3.622 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.360 6.868 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.088 5.566 -3.712 1.00 0.00 H new ATOM 1377 N ALA A 82 7.460 5.487 -3.117 1.00 0.00 N ATOM 1378 CA ALA A 82 6.903 5.469 -4.459 1.00 0.00 C ATOM 1379 C ALA A 82 5.829 6.552 -4.576 1.00 0.00 C ATOM 1380 O ALA A 82 5.704 7.198 -5.615 1.00 0.00 O ATOM 1381 CB ALA A 82 6.358 4.073 -4.767 1.00 0.00 C ATOM 0 H ALA A 82 7.388 4.603 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 82 7.674 5.689 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.940 4.059 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.166 3.344 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.579 3.819 -4.048 1.00 0.00 H new