USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 725 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -0.941 (180deg=-3.41!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.649 K(o=-0.65,f=1) USER MOD Single : A 19 LYS NZ :NH3+ 134:sc= 0.194 (180deg=0) USER MOD Single : A 20 CYS SG : rot 50:sc= -2.18! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -140:sc= -3.8! USER MOD Single : A 59 SER OG : rot 59:sc= 0.277 USER MOD Single : A 60 THR OG1 : rot 61:sc= 0.00559 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= 0.00774 (180deg=0) USER MOD Single : A 85 MET CE :methyl 143:sc= -2.49 (180deg=-3.03!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.759 -10.422 2.916 1.00 0.00 N ATOM 60 CA GLY A 7 0.928 -10.360 1.474 1.00 0.00 C ATOM 61 C GLY A 7 0.283 -9.097 0.900 1.00 0.00 C ATOM 62 O GLY A 7 0.979 -8.201 0.425 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.990 -10.374 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.482 -11.242 1.014 1.00 0.00 H new ATOM 66 N LEU A 8 -1.040 -9.067 0.962 1.00 0.00 N ATOM 67 CA LEU A 8 -1.787 -7.928 0.454 1.00 0.00 C ATOM 68 C LEU A 8 -1.302 -6.654 1.149 1.00 0.00 C ATOM 69 O LEU A 8 -0.981 -5.667 0.489 1.00 0.00 O ATOM 70 CB LEU A 8 -3.292 -8.170 0.592 1.00 0.00 C ATOM 71 CG LEU A 8 -3.842 -9.405 -0.124 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.027 -9.718 -1.380 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.915 -10.602 0.825 1.00 0.00 C ATOM 0 H LEU A 8 -1.614 -9.812 1.356 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.605 -7.798 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.531 -8.253 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.817 -7.292 0.215 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.860 -9.188 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.439 -10.600 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.071 -8.870 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.990 -9.908 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.309 -11.466 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.917 -10.831 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.571 -10.363 1.662 1.00 0.00 H new ATOM 85 N LYS A 9 -1.265 -6.718 2.472 1.00 0.00 N ATOM 86 CA LYS A 9 -0.824 -5.582 3.263 1.00 0.00 C ATOM 87 C LYS A 9 0.339 -4.889 2.550 1.00 0.00 C ATOM 88 O LYS A 9 0.271 -3.696 2.258 1.00 0.00 O ATOM 89 CB LYS A 9 -0.497 -6.019 4.692 1.00 0.00 C ATOM 90 CG LYS A 9 -1.567 -5.536 5.672 1.00 0.00 C ATOM 91 CD LYS A 9 -1.293 -6.056 7.085 1.00 0.00 C ATOM 92 CE LYS A 9 -2.564 -6.631 7.714 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.224 -7.530 8.839 1.00 0.00 N ATOM 0 H LYS A 9 -1.533 -7.538 3.016 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.625 -4.848 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.423 -7.106 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.475 -5.621 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.592 -4.446 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.548 -5.875 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.521 -6.824 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.910 -5.247 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.201 -5.820 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.133 -7.178 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.098 -7.912 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.635 -8.313 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.700 -6.998 9.563 1.00 0.00 H new ATOM 107 N GLN A 10 1.379 -5.667 2.290 1.00 0.00 N ATOM 108 CA GLN A 10 2.556 -5.144 1.617 1.00 0.00 C ATOM 109 C GLN A 10 2.187 -4.636 0.221 1.00 0.00 C ATOM 110 O GLN A 10 2.570 -3.532 -0.163 1.00 0.00 O ATOM 111 CB GLN A 10 3.660 -6.200 1.541 1.00 0.00 C ATOM 112 CG GLN A 10 5.027 -5.588 1.852 1.00 0.00 C ATOM 113 CD GLN A 10 6.040 -5.920 0.755 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.440 -7.058 0.567 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.431 -4.867 0.043 1.00 0.00 N ATOM 0 H GLN A 10 1.431 -6.656 2.533 1.00 0.00 H new ATOM 0 HA GLN A 10 2.940 -4.306 2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.449 -7.004 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.675 -6.645 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.932 -4.506 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.387 -5.963 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.057 -3.942 0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.105 -4.985 -0.713 1.00 0.00 H new ATOM 124 N LYS A 11 1.447 -5.465 -0.499 1.00 0.00 N ATOM 125 CA LYS A 11 1.021 -5.114 -1.843 1.00 0.00 C ATOM 126 C LYS A 11 0.208 -3.819 -1.794 1.00 0.00 C ATOM 127 O LYS A 11 0.675 -2.771 -2.235 1.00 0.00 O ATOM 128 CB LYS A 11 0.278 -6.283 -2.493 1.00 0.00 C ATOM 129 CG LYS A 11 1.242 -7.420 -2.839 1.00 0.00 C ATOM 130 CD LYS A 11 0.620 -8.781 -2.521 1.00 0.00 C ATOM 131 CE LYS A 11 0.114 -9.464 -3.793 1.00 0.00 C ATOM 132 NZ LYS A 11 -0.947 -10.444 -3.469 1.00 0.00 N ATOM 0 H LYS A 11 1.131 -6.380 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 11 1.886 -4.924 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.494 -6.649 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.226 -5.941 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.501 -7.373 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.169 -7.299 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.358 -9.417 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.205 -8.653 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.273 -8.716 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.940 -9.967 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.896 -11.243 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.814 -10.791 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.878 -9.987 -3.549 1.00 0.00 H new ATOM 146 N VAL A 12 -0.996 -3.935 -1.253 1.00 0.00 N ATOM 147 CA VAL A 12 -1.880 -2.787 -1.140 1.00 0.00 C ATOM 148 C VAL A 12 -1.074 -1.573 -0.674 1.00 0.00 C ATOM 149 O VAL A 12 -1.271 -0.465 -1.171 1.00 0.00 O ATOM 150 CB VAL A 12 -3.052 -3.117 -0.214 1.00 0.00 C ATOM 151 CG1 VAL A 12 -4.026 -1.941 -0.122 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.769 -4.389 -0.671 1.00 0.00 C ATOM 0 H VAL A 12 -1.380 -4.807 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.310 -2.540 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.651 -3.298 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.850 -2.202 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.506 -1.068 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.418 -1.714 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.598 -4.602 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.151 -4.248 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.069 -5.225 -0.661 1.00 0.00 H new ATOM 162 N GLU A 13 -0.183 -1.822 0.274 1.00 0.00 N ATOM 163 CA GLU A 13 0.654 -0.763 0.813 1.00 0.00 C ATOM 164 C GLU A 13 1.369 -0.024 -0.320 1.00 0.00 C ATOM 165 O GLU A 13 1.282 1.199 -0.419 1.00 0.00 O ATOM 166 CB GLU A 13 1.658 -1.319 1.825 1.00 0.00 C ATOM 167 CG GLU A 13 1.087 -1.274 3.244 1.00 0.00 C ATOM 168 CD GLU A 13 1.338 0.088 3.893 1.00 0.00 C ATOM 169 OE1 GLU A 13 0.747 1.071 3.397 1.00 0.00 O ATOM 170 OE2 GLU A 13 2.116 0.116 4.871 1.00 0.00 O ATOM 0 H GLU A 13 -0.022 -2.742 0.683 1.00 0.00 H new ATOM 0 HA GLU A 13 0.015 -0.053 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.912 -2.346 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.581 -0.741 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.016 -1.475 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.543 -2.058 3.848 1.00 0.00 H new ATOM 177 N ASN A 14 2.059 -0.797 -1.146 1.00 0.00 N ATOM 178 CA ASN A 14 2.788 -0.231 -2.267 1.00 0.00 C ATOM 179 C ASN A 14 1.798 0.409 -3.243 1.00 0.00 C ATOM 180 O ASN A 14 2.030 1.514 -3.732 1.00 0.00 O ATOM 181 CB ASN A 14 3.564 -1.312 -3.022 1.00 0.00 C ATOM 182 CG ASN A 14 5.036 -1.321 -2.607 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.801 -0.423 -2.917 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.390 -2.384 -1.890 1.00 0.00 N ATOM 0 H ASN A 14 2.128 -1.811 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 14 3.487 0.508 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.121 -2.288 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.486 -1.138 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.352 -2.483 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.700 -3.100 -1.665 1.00 0.00 H new ATOM 191 N LEU A 15 0.716 -0.312 -3.496 1.00 0.00 N ATOM 192 CA LEU A 15 -0.310 0.172 -4.405 1.00 0.00 C ATOM 193 C LEU A 15 -0.545 1.662 -4.153 1.00 0.00 C ATOM 194 O LEU A 15 -0.261 2.493 -5.015 1.00 0.00 O ATOM 195 CB LEU A 15 -1.575 -0.680 -4.286 1.00 0.00 C ATOM 196 CG LEU A 15 -2.899 0.049 -4.526 1.00 0.00 C ATOM 197 CD1 LEU A 15 -3.058 0.425 -6.000 1.00 0.00 C ATOM 198 CD2 LEU A 15 -4.081 -0.777 -4.014 1.00 0.00 C ATOM 0 H LEU A 15 0.527 -1.227 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 15 0.018 0.071 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.503 -1.504 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.601 -1.120 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.885 0.978 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.007 0.942 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.239 1.080 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.041 -0.478 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.009 -0.236 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.110 -1.734 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.967 -0.951 -2.944 1.00 0.00 H new ATOM 210 N PHE A 16 -1.063 1.956 -2.969 1.00 0.00 N ATOM 211 CA PHE A 16 -1.340 3.332 -2.594 1.00 0.00 C ATOM 212 C PHE A 16 -0.115 4.220 -2.822 1.00 0.00 C ATOM 213 O PHE A 16 -0.153 5.139 -3.638 1.00 0.00 O ATOM 214 CB PHE A 16 -1.682 3.328 -1.103 1.00 0.00 C ATOM 215 CG PHE A 16 -2.953 2.549 -0.758 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.011 2.562 -1.612 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.024 1.843 0.402 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.191 1.839 -1.292 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.203 1.120 0.722 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.262 1.133 -0.131 1.00 0.00 C ATOM 0 H PHE A 16 -1.298 1.264 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.157 3.725 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.845 2.901 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.796 4.358 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.954 3.122 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.183 1.832 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.032 1.850 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.259 0.559 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.159 0.583 0.113 1.00 0.00 H new ATOM 230 N ASN A 17 0.943 3.913 -2.086 1.00 0.00 N ATOM 231 CA ASN A 17 2.178 4.672 -2.197 1.00 0.00 C ATOM 232 C ASN A 17 2.445 4.990 -3.670 1.00 0.00 C ATOM 233 O ASN A 17 2.519 6.156 -4.054 1.00 0.00 O ATOM 234 CB ASN A 17 3.367 3.871 -1.663 1.00 0.00 C ATOM 235 CG ASN A 17 3.441 3.952 -0.137 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.678 3.328 0.581 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.401 4.753 0.316 1.00 0.00 N ATOM 0 H ASN A 17 0.971 3.149 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 17 2.067 5.585 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.277 2.830 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.291 4.253 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.533 4.874 1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.006 5.246 -0.341 1.00 0.00 H new ATOM 244 N GLU A 18 2.582 3.931 -4.455 1.00 0.00 N ATOM 245 CA GLU A 18 2.839 4.083 -5.877 1.00 0.00 C ATOM 246 C GLU A 18 1.824 5.043 -6.501 1.00 0.00 C ATOM 247 O GLU A 18 2.195 6.098 -7.013 1.00 0.00 O ATOM 248 CB GLU A 18 2.819 2.727 -6.586 1.00 0.00 C ATOM 249 CG GLU A 18 4.239 2.209 -6.819 1.00 0.00 C ATOM 250 CD GLU A 18 4.543 2.098 -8.315 1.00 0.00 C ATOM 251 OE1 GLU A 18 4.912 3.140 -8.898 1.00 0.00 O ATOM 252 OE2 GLU A 18 4.399 0.974 -8.841 1.00 0.00 O ATOM 0 H GLU A 18 2.520 2.965 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 18 3.835 4.507 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.259 2.008 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.301 2.819 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.957 2.880 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.356 1.234 -6.347 1.00 0.00 H new ATOM 259 N LYS A 19 0.562 4.642 -6.438 1.00 0.00 N ATOM 260 CA LYS A 19 -0.509 5.453 -6.990 1.00 0.00 C ATOM 261 C LYS A 19 -0.244 6.926 -6.673 1.00 0.00 C ATOM 262 O LYS A 19 -0.251 7.769 -7.568 1.00 0.00 O ATOM 263 CB LYS A 19 -1.869 4.953 -6.497 1.00 0.00 C ATOM 264 CG LYS A 19 -2.211 3.597 -7.116 1.00 0.00 C ATOM 265 CD LYS A 19 -2.351 3.707 -8.636 1.00 0.00 C ATOM 266 CE LYS A 19 -3.676 3.106 -9.110 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.624 2.817 -10.561 1.00 0.00 N ATOM 0 H LYS A 19 0.258 3.766 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.535 5.360 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.857 4.868 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.642 5.678 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.433 2.875 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.141 3.222 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.295 4.754 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.521 3.192 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.885 2.190 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.492 3.798 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.006 1.866 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.191 3.520 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.638 2.861 -10.889 1.00 0.00 H new ATOM 281 N CYS A 20 -0.015 7.191 -5.395 1.00 0.00 N ATOM 282 CA CYS A 20 0.253 8.547 -4.948 1.00 0.00 C ATOM 283 C CYS A 20 1.227 9.194 -5.934 1.00 0.00 C ATOM 284 O CYS A 20 0.873 10.147 -6.627 1.00 0.00 O ATOM 285 CB CYS A 20 0.788 8.575 -3.515 1.00 0.00 C ATOM 286 SG CYS A 20 -0.454 9.321 -2.397 1.00 0.00 S ATOM 0 H CYS A 20 -0.010 6.489 -4.655 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.676 9.117 -4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.024 7.563 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.715 9.147 -3.475 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.608 8.755 -2.591 1.00 0.00 H new ATOM 292 N GLY A 21 2.436 8.652 -5.965 1.00 0.00 N ATOM 293 CA GLY A 21 3.464 9.165 -6.855 1.00 0.00 C ATOM 294 C GLY A 21 2.937 9.290 -8.286 1.00 0.00 C ATOM 295 O GLY A 21 3.405 10.131 -9.052 1.00 0.00 O ATOM 0 H GLY A 21 2.727 7.863 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.803 10.139 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.329 8.501 -6.839 1.00 0.00 H new ATOM 299 N GLU A 22 1.971 8.441 -8.603 1.00 0.00 N ATOM 300 CA GLU A 22 1.376 8.446 -9.929 1.00 0.00 C ATOM 301 C GLU A 22 0.452 9.655 -10.092 1.00 0.00 C ATOM 302 O GLU A 22 0.432 10.288 -11.146 1.00 0.00 O ATOM 303 CB GLU A 22 0.624 7.141 -10.198 1.00 0.00 C ATOM 304 CG GLU A 22 1.113 6.483 -11.490 1.00 0.00 C ATOM 305 CD GLU A 22 0.145 6.754 -12.643 1.00 0.00 C ATOM 306 OE1 GLU A 22 -0.261 7.929 -12.779 1.00 0.00 O ATOM 307 OE2 GLU A 22 -0.168 5.781 -13.363 1.00 0.00 O ATOM 0 H GLU A 22 1.585 7.745 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 22 2.177 8.523 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.765 6.457 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.445 7.341 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.102 6.863 -11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.213 5.408 -11.340 1.00 0.00 H new ATOM 314 N ALA A 23 -0.290 9.939 -9.032 1.00 0.00 N ATOM 315 CA ALA A 23 -1.214 11.060 -9.043 1.00 0.00 C ATOM 316 C ALA A 23 -0.446 12.344 -9.363 1.00 0.00 C ATOM 317 O ALA A 23 -0.880 13.141 -10.194 1.00 0.00 O ATOM 318 CB ALA A 23 -1.943 11.135 -7.700 1.00 0.00 C ATOM 0 H ALA A 23 -0.270 9.412 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.970 10.927 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.636 11.976 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.496 10.211 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.217 11.272 -6.899 1.00 0.00 H new ATOM 324 N LEU A 24 0.682 12.505 -8.687 1.00 0.00 N ATOM 325 CA LEU A 24 1.514 13.679 -8.889 1.00 0.00 C ATOM 326 C LEU A 24 2.184 13.595 -10.262 1.00 0.00 C ATOM 327 O LEU A 24 2.678 14.596 -10.778 1.00 0.00 O ATOM 328 CB LEU A 24 2.502 13.841 -7.732 1.00 0.00 C ATOM 329 CG LEU A 24 1.891 14.170 -6.368 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.080 15.466 -6.429 1.00 0.00 C ATOM 331 CD2 LEU A 24 1.058 12.998 -5.843 1.00 0.00 C ATOM 0 H LEU A 24 1.039 11.842 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 24 0.904 14.582 -8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.075 12.919 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.208 14.630 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 24 2.704 14.331 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.657 15.677 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.730 16.288 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.275 15.357 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.635 13.258 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.252 12.782 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.693 12.118 -5.738 1.00 0.00 H new ATOM 343 N GLY A 25 2.177 12.391 -10.815 1.00 0.00 N ATOM 344 CA GLY A 25 2.778 12.162 -12.118 1.00 0.00 C ATOM 345 C GLY A 25 4.263 11.819 -11.985 1.00 0.00 C ATOM 346 O GLY A 25 5.115 12.503 -12.550 1.00 0.00 O ATOM 0 H GLY A 25 1.765 11.563 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.257 11.349 -12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.661 13.051 -12.738 1.00 0.00 H new ATOM 350 N LEU A 26 4.527 10.759 -11.234 1.00 0.00 N ATOM 351 CA LEU A 26 5.895 10.317 -11.020 1.00 0.00 C ATOM 352 C LEU A 26 6.007 8.832 -11.372 1.00 0.00 C ATOM 353 O LEU A 26 4.996 8.160 -11.570 1.00 0.00 O ATOM 354 CB LEU A 26 6.347 10.647 -9.596 1.00 0.00 C ATOM 355 CG LEU A 26 6.104 12.084 -9.130 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.393 12.232 -7.635 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.909 13.076 -9.971 1.00 0.00 C ATOM 0 H LEU A 26 3.818 10.194 -10.767 1.00 0.00 H new ATOM 0 HA LEU A 26 6.577 10.854 -11.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.837 9.972 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.413 10.436 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 26 5.050 12.318 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.212 13.263 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.740 11.567 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.433 11.972 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.718 14.090 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.972 12.853 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.611 12.993 -11.016 1.00 0.00 H new ATOM 369 N LYS A 27 7.245 8.365 -11.440 1.00 0.00 N ATOM 370 CA LYS A 27 7.502 6.973 -11.766 1.00 0.00 C ATOM 371 C LYS A 27 7.997 6.244 -10.515 1.00 0.00 C ATOM 372 O LYS A 27 8.512 5.131 -10.603 1.00 0.00 O ATOM 373 CB LYS A 27 8.458 6.868 -12.956 1.00 0.00 C ATOM 374 CG LYS A 27 7.699 6.525 -14.240 1.00 0.00 C ATOM 375 CD LYS A 27 7.350 5.036 -14.289 1.00 0.00 C ATOM 376 CE LYS A 27 6.003 4.810 -14.978 1.00 0.00 C ATOM 377 NZ LYS A 27 5.090 4.051 -14.095 1.00 0.00 N ATOM 0 H LYS A 27 8.081 8.926 -11.275 1.00 0.00 H new ATOM 0 HA LYS A 27 6.582 6.480 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.990 7.811 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.209 6.103 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.786 7.118 -14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.305 6.789 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.131 4.493 -14.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.317 4.633 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.555 5.769 -15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.152 4.266 -15.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.180 3.906 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.513 3.128 -13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.934 4.584 -13.216 1.00 0.00 H new ATOM 391 N GLN A 28 7.823 6.902 -9.378 1.00 0.00 N ATOM 392 CA GLN A 28 8.245 6.331 -8.110 1.00 0.00 C ATOM 393 C GLN A 28 7.081 6.323 -7.118 1.00 0.00 C ATOM 394 O GLN A 28 5.969 6.726 -7.456 1.00 0.00 O ATOM 395 CB GLN A 28 9.446 7.089 -7.541 1.00 0.00 C ATOM 396 CG GLN A 28 9.065 8.524 -7.173 1.00 0.00 C ATOM 397 CD GLN A 28 10.208 9.492 -7.483 1.00 0.00 C ATOM 398 OE1 GLN A 28 11.349 9.105 -7.674 1.00 0.00 O ATOM 399 NE2 GLN A 28 9.839 10.769 -7.524 1.00 0.00 N ATOM 0 H GLN A 28 7.395 7.825 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 28 8.556 5.301 -8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.822 6.571 -6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.254 7.100 -8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.173 8.820 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.816 8.577 -6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.866 11.024 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.529 11.493 -7.725 1.00 0.00 H new ATOM 408 N ALA A 29 7.377 5.859 -5.912 1.00 0.00 N ATOM 409 CA ALA A 29 6.368 5.792 -4.868 1.00 0.00 C ATOM 410 C ALA A 29 6.473 7.037 -3.984 1.00 0.00 C ATOM 411 O ALA A 29 7.522 7.677 -3.929 1.00 0.00 O ATOM 412 CB ALA A 29 6.540 4.496 -4.074 1.00 0.00 C ATOM 0 H ALA A 29 8.300 5.526 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 29 5.368 5.778 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.783 4.446 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.428 3.642 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.532 4.475 -3.622 1.00 0.00 H new ATOM 418 N VAL A 30 5.371 7.342 -3.314 1.00 0.00 N ATOM 419 CA VAL A 30 5.326 8.498 -2.435 1.00 0.00 C ATOM 420 C VAL A 30 4.375 8.212 -1.272 1.00 0.00 C ATOM 421 O VAL A 30 3.197 7.926 -1.484 1.00 0.00 O ATOM 422 CB VAL A 30 4.939 9.746 -3.232 1.00 0.00 C ATOM 423 CG1 VAL A 30 5.118 11.011 -2.390 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.739 9.836 -4.533 1.00 0.00 C ATOM 0 H VAL A 30 4.503 6.809 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 30 6.310 8.693 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 30 3.884 9.663 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.836 11.883 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.485 10.951 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.161 11.101 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.445 10.732 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.803 9.885 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.540 8.956 -5.144 1.00 0.00 H new ATOM 434 N LYS A 31 4.920 8.300 -0.068 1.00 0.00 N ATOM 435 CA LYS A 31 4.134 8.055 1.130 1.00 0.00 C ATOM 436 C LYS A 31 2.744 8.669 0.957 1.00 0.00 C ATOM 437 O LYS A 31 2.617 9.814 0.526 1.00 0.00 O ATOM 438 CB LYS A 31 4.878 8.554 2.370 1.00 0.00 C ATOM 439 CG LYS A 31 4.767 7.548 3.518 1.00 0.00 C ATOM 440 CD LYS A 31 4.769 8.260 4.872 1.00 0.00 C ATOM 441 CE LYS A 31 6.181 8.322 5.457 1.00 0.00 C ATOM 442 NZ LYS A 31 6.194 7.791 6.838 1.00 0.00 N ATOM 0 H LYS A 31 5.897 8.538 0.104 1.00 0.00 H new ATOM 0 HA LYS A 31 3.993 6.985 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.928 8.719 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.468 9.514 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.851 6.967 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.598 6.844 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.375 9.270 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.108 7.737 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.865 7.746 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.537 9.352 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.160 7.841 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.557 8.357 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.874 6.801 6.832 1.00 0.00 H new ATOM 456 N VAL A 32 1.737 7.881 1.302 1.00 0.00 N ATOM 457 CA VAL A 32 0.360 8.333 1.190 1.00 0.00 C ATOM 458 C VAL A 32 0.003 9.173 2.418 1.00 0.00 C ATOM 459 O VAL A 32 -0.044 8.659 3.535 1.00 0.00 O ATOM 460 CB VAL A 32 -0.570 7.135 0.995 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.034 7.541 1.177 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.348 6.485 -0.372 1.00 0.00 C ATOM 0 H VAL A 32 1.847 6.932 1.659 1.00 0.00 H new ATOM 0 HA VAL A 32 0.237 8.969 0.313 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.329 6.397 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.674 6.670 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.180 7.936 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.293 8.306 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.022 5.636 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.547 7.213 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.684 6.142 -0.449 1.00 0.00 H new ATOM 472 N PRO A 33 -0.246 10.486 2.164 1.00 0.00 N ATOM 473 CA PRO A 33 -0.598 11.402 3.235 1.00 0.00 C ATOM 474 C PRO A 33 -2.041 11.181 3.694 1.00 0.00 C ATOM 475 O PRO A 33 -2.870 12.085 3.601 1.00 0.00 O ATOM 476 CB PRO A 33 -0.363 12.789 2.660 1.00 0.00 C ATOM 477 CG PRO A 33 -0.336 12.615 1.150 1.00 0.00 C ATOM 478 CD PRO A 33 -0.200 11.130 0.855 1.00 0.00 C ATOM 0 HA PRO A 33 0.002 11.251 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.155 13.475 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.576 13.208 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.248 13.011 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.497 13.168 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.007 10.779 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.736 10.913 0.340 1.00 0.00 H new ATOM 486 N PHE A 34 -2.296 9.975 4.180 1.00 0.00 N ATOM 487 CA PHE A 34 -3.624 9.625 4.653 1.00 0.00 C ATOM 488 C PHE A 34 -4.266 10.794 5.402 1.00 0.00 C ATOM 489 O PHE A 34 -5.453 11.067 5.234 1.00 0.00 O ATOM 490 CB PHE A 34 -3.459 8.447 5.616 1.00 0.00 C ATOM 491 CG PHE A 34 -3.253 7.099 4.921 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.326 6.397 4.469 1.00 0.00 C ATOM 493 CD2 PHE A 34 -1.998 6.604 4.756 1.00 0.00 C ATOM 494 CE1 PHE A 34 -4.136 5.146 3.824 1.00 0.00 C ATOM 495 CE2 PHE A 34 -1.807 5.354 4.111 1.00 0.00 C ATOM 496 CZ PHE A 34 -2.880 4.651 3.659 1.00 0.00 C ATOM 0 H PHE A 34 -1.605 9.228 4.256 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.266 9.374 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.608 8.641 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.342 8.385 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.323 6.791 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.146 7.162 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.988 4.588 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.810 4.961 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.735 3.700 3.169 1.00 0.00 H new ATOM 506 N ALA A 35 -3.451 11.455 6.212 1.00 0.00 N ATOM 507 CA ALA A 35 -3.925 12.589 6.987 1.00 0.00 C ATOM 508 C ALA A 35 -4.651 13.567 6.061 1.00 0.00 C ATOM 509 O ALA A 35 -5.782 13.964 6.336 1.00 0.00 O ATOM 510 CB ALA A 35 -2.745 13.239 7.713 1.00 0.00 C ATOM 0 H ALA A 35 -2.466 11.227 6.348 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.637 12.265 7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.100 14.090 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.282 12.511 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.011 13.580 6.982 1.00 0.00 H new ATOM 516 N LEU A 36 -3.970 13.927 4.983 1.00 0.00 N ATOM 517 CA LEU A 36 -4.536 14.850 4.015 1.00 0.00 C ATOM 518 C LEU A 36 -5.933 14.371 3.615 1.00 0.00 C ATOM 519 O LEU A 36 -6.871 15.164 3.555 1.00 0.00 O ATOM 520 CB LEU A 36 -3.586 15.033 2.829 1.00 0.00 C ATOM 521 CG LEU A 36 -2.578 16.179 2.948 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.463 15.829 3.935 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.027 16.568 1.574 1.00 0.00 C ATOM 0 H LEU A 36 -3.032 13.596 4.759 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.652 15.840 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.035 14.104 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.184 15.193 1.931 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.097 17.051 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.761 16.660 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.894 15.639 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.939 14.938 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.313 17.384 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.528 15.709 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.847 16.888 0.931 1.00 0.00 H new ATOM 535 N PHE A 37 -6.026 13.076 3.351 1.00 0.00 N ATOM 536 CA PHE A 37 -7.293 12.482 2.959 1.00 0.00 C ATOM 537 C PHE A 37 -8.248 12.389 4.150 1.00 0.00 C ATOM 538 O PHE A 37 -9.428 12.086 3.983 1.00 0.00 O ATOM 539 CB PHE A 37 -6.987 11.070 2.454 1.00 0.00 C ATOM 540 CG PHE A 37 -6.164 11.035 1.165 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.809 11.132 1.220 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.789 10.906 -0.037 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.045 11.099 0.023 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.025 10.873 -1.234 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.670 10.970 -1.179 1.00 0.00 C ATOM 0 H PHE A 37 -5.245 12.422 3.401 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.770 13.094 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.450 10.526 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.927 10.543 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.313 11.234 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.865 10.829 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.969 11.176 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.521 10.771 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.090 10.945 -2.089 1.00 0.00 H new ATOM 555 N GLU A 38 -7.701 12.655 5.328 1.00 0.00 N ATOM 556 CA GLU A 38 -8.490 12.605 6.547 1.00 0.00 C ATOM 557 C GLU A 38 -8.909 14.015 6.966 1.00 0.00 C ATOM 558 O GLU A 38 -10.100 14.310 7.061 1.00 0.00 O ATOM 559 CB GLU A 38 -7.720 11.906 7.670 1.00 0.00 C ATOM 560 CG GLU A 38 -7.353 10.474 7.275 1.00 0.00 C ATOM 561 CD GLU A 38 -7.982 9.462 8.235 1.00 0.00 C ATOM 562 OE1 GLU A 38 -7.408 9.290 9.333 1.00 0.00 O ATOM 563 OE2 GLU A 38 -9.021 8.884 7.851 1.00 0.00 O ATOM 0 H GLU A 38 -6.722 12.906 5.464 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.390 12.023 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.814 12.467 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.325 11.893 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.692 10.275 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.269 10.359 7.278 1.00 0.00 H new ATOM 570 N SER A 39 -7.908 14.850 7.205 1.00 0.00 N ATOM 571 CA SER A 39 -8.159 16.222 7.611 1.00 0.00 C ATOM 572 C SER A 39 -8.773 17.008 6.450 1.00 0.00 C ATOM 573 O SER A 39 -9.617 17.877 6.662 1.00 0.00 O ATOM 574 CB SER A 39 -6.872 16.899 8.087 1.00 0.00 C ATOM 575 OG SER A 39 -6.487 16.459 9.387 1.00 0.00 O ATOM 0 H SER A 39 -6.922 14.602 7.125 1.00 0.00 H new ATOM 0 HA SER A 39 -8.861 16.209 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.069 16.689 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.013 17.980 8.097 1.00 0.00 H new ATOM 0 HG SER A 39 -5.660 16.913 9.654 1.00 0.00 H new ATOM 581 N PHE A 40 -8.326 16.673 5.249 1.00 0.00 N ATOM 582 CA PHE A 40 -8.822 17.336 4.055 1.00 0.00 C ATOM 583 C PHE A 40 -9.398 16.323 3.064 1.00 0.00 C ATOM 584 O PHE A 40 -8.782 16.029 2.041 1.00 0.00 O ATOM 585 CB PHE A 40 -7.628 18.042 3.407 1.00 0.00 C ATOM 586 CG PHE A 40 -6.804 18.888 4.379 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.375 19.949 5.010 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.500 18.581 4.612 1.00 0.00 C ATOM 589 CE1 PHE A 40 -6.610 20.735 5.912 1.00 0.00 C ATOM 590 CE2 PHE A 40 -4.735 19.366 5.513 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.306 20.427 6.145 1.00 0.00 C ATOM 0 H PHE A 40 -7.626 15.951 5.077 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.615 18.036 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.979 17.293 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.990 18.681 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.410 20.194 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.046 17.739 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.064 21.577 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.699 19.121 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.724 21.024 6.831 1.00 0.00 H new ATOM 601 N PRO A 41 -10.605 15.802 3.412 1.00 0.00 N ATOM 602 CA PRO A 41 -11.272 14.827 2.565 1.00 0.00 C ATOM 603 C PRO A 41 -11.879 15.498 1.330 1.00 0.00 C ATOM 604 O PRO A 41 -12.037 14.862 0.289 1.00 0.00 O ATOM 605 CB PRO A 41 -12.315 14.177 3.460 1.00 0.00 C ATOM 606 CG PRO A 41 -12.509 15.126 4.631 1.00 0.00 C ATOM 607 CD PRO A 41 -11.365 16.126 4.616 1.00 0.00 C ATOM 0 HA PRO A 41 -10.588 14.079 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.251 14.024 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.980 13.198 3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.467 15.640 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.521 14.574 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.735 17.151 4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.748 16.035 5.510 1.00 0.00 H new ATOM 615 N GLU A 42 -12.201 16.773 1.487 1.00 0.00 N ATOM 616 CA GLU A 42 -12.786 17.536 0.398 1.00 0.00 C ATOM 617 C GLU A 42 -11.686 18.137 -0.480 1.00 0.00 C ATOM 618 O GLU A 42 -11.733 19.319 -0.818 1.00 0.00 O ATOM 619 CB GLU A 42 -13.719 18.626 0.931 1.00 0.00 C ATOM 620 CG GLU A 42 -15.111 18.062 1.222 1.00 0.00 C ATOM 621 CD GLU A 42 -16.072 19.171 1.654 1.00 0.00 C ATOM 622 OE1 GLU A 42 -15.919 20.293 1.126 1.00 0.00 O ATOM 623 OE2 GLU A 42 -16.939 18.871 2.504 1.00 0.00 O ATOM 0 H GLU A 42 -12.068 17.297 2.352 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.383 16.860 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.299 19.056 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.795 19.433 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.499 17.565 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.045 17.307 2.006 1.00 0.00 H new ATOM 630 N ASP A 43 -10.723 17.296 -0.824 1.00 0.00 N ATOM 631 CA ASP A 43 -9.613 17.729 -1.656 1.00 0.00 C ATOM 632 C ASP A 43 -8.805 16.507 -2.098 1.00 0.00 C ATOM 633 O ASP A 43 -8.375 16.425 -3.247 1.00 0.00 O ATOM 634 CB ASP A 43 -8.677 18.661 -0.884 1.00 0.00 C ATOM 635 CG ASP A 43 -9.191 20.091 -0.706 1.00 0.00 C ATOM 636 OD1 ASP A 43 -9.805 20.597 -1.670 1.00 0.00 O ATOM 637 OD2 ASP A 43 -8.957 20.645 0.390 1.00 0.00 O ATOM 0 H ASP A 43 -10.688 16.316 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.023 18.260 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.493 18.232 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.718 18.697 -1.400 1.00 0.00 H new ATOM 642 N PHE A 44 -8.623 15.588 -1.161 1.00 0.00 N ATOM 643 CA PHE A 44 -7.874 14.374 -1.440 1.00 0.00 C ATOM 644 C PHE A 44 -8.740 13.132 -1.216 1.00 0.00 C ATOM 645 O PHE A 44 -9.190 12.878 -0.100 1.00 0.00 O ATOM 646 CB PHE A 44 -6.696 14.342 -0.464 1.00 0.00 C ATOM 647 CG PHE A 44 -5.863 15.625 -0.452 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.229 16.036 -1.583 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.757 16.356 0.691 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.456 17.227 -1.571 1.00 0.00 C ATOM 651 CE2 PHE A 44 -4.984 17.547 0.702 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.350 17.957 -0.429 1.00 0.00 C ATOM 0 H PHE A 44 -8.981 15.659 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.543 14.371 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.075 14.158 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.049 13.503 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.314 15.456 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.261 16.030 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.952 17.553 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.900 18.127 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.762 18.863 -0.420 1.00 0.00 H new ATOM 662 N TYR A 45 -8.946 12.392 -2.296 1.00 0.00 N ATOM 663 CA TYR A 45 -9.750 11.183 -2.232 1.00 0.00 C ATOM 664 C TYR A 45 -9.418 10.242 -3.391 1.00 0.00 C ATOM 665 O TYR A 45 -8.946 10.683 -4.438 1.00 0.00 O ATOM 666 CB TYR A 45 -11.205 11.637 -2.360 1.00 0.00 C ATOM 667 CG TYR A 45 -11.464 12.569 -3.545 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.305 13.932 -3.399 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.857 12.047 -4.761 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.549 14.809 -4.515 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.101 12.924 -5.877 1.00 0.00 C ATOM 672 CZ TYR A 45 -11.935 14.262 -5.699 1.00 0.00 C ATOM 673 OH TYR A 45 -12.165 15.090 -6.753 1.00 0.00 O ATOM 0 H TYR A 45 -8.570 12.606 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.560 10.645 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.842 10.758 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.499 12.144 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.998 14.341 -2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.982 10.980 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.428 15.877 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.409 12.528 -6.834 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.952 14.779 -7.247 1.00 0.00 H new ATOM 683 N VAL A 46 -9.677 8.963 -3.165 1.00 0.00 N ATOM 684 CA VAL A 46 -9.411 7.955 -4.178 1.00 0.00 C ATOM 685 C VAL A 46 -10.739 7.431 -4.731 1.00 0.00 C ATOM 686 O VAL A 46 -11.654 7.123 -3.969 1.00 0.00 O ATOM 687 CB VAL A 46 -8.528 6.849 -3.598 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.409 5.675 -4.570 1.00 0.00 C ATOM 689 CG2 VAL A 46 -7.147 7.392 -3.221 1.00 0.00 C ATOM 0 H VAL A 46 -10.068 8.601 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.859 8.389 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.004 6.482 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.776 4.903 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.399 5.264 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.967 6.020 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.539 6.586 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.661 7.798 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.257 8.179 -2.475 1.00 0.00 H new ATOM 699 N GLU A 47 -10.801 7.346 -6.052 1.00 0.00 N ATOM 700 CA GLU A 47 -12.001 6.865 -6.715 1.00 0.00 C ATOM 701 C GLU A 47 -11.701 5.579 -7.487 1.00 0.00 C ATOM 702 O GLU A 47 -10.660 5.467 -8.133 1.00 0.00 O ATOM 703 CB GLU A 47 -12.583 7.936 -7.639 1.00 0.00 C ATOM 704 CG GLU A 47 -12.824 9.243 -6.881 1.00 0.00 C ATOM 705 CD GLU A 47 -14.289 9.673 -6.981 1.00 0.00 C ATOM 706 OE1 GLU A 47 -15.150 8.846 -6.609 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.515 10.818 -7.427 1.00 0.00 O ATOM 0 H GLU A 47 -10.040 7.602 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.749 6.643 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.901 8.114 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.521 7.582 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.549 9.116 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.183 10.026 -7.286 1.00 0.00 H new ATOM 714 N GLY A 48 -12.631 4.640 -7.394 1.00 0.00 N ATOM 715 CA GLY A 48 -12.479 3.366 -8.076 1.00 0.00 C ATOM 716 C GLY A 48 -12.590 2.201 -7.091 1.00 0.00 C ATOM 717 O GLY A 48 -12.956 1.091 -7.475 1.00 0.00 O ATOM 0 H GLY A 48 -13.493 4.736 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.243 3.269 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.512 3.331 -8.579 1.00 0.00 H new ATOM 721 N LEU A 49 -12.268 2.493 -5.839 1.00 0.00 N ATOM 722 CA LEU A 49 -12.326 1.483 -4.796 1.00 0.00 C ATOM 723 C LEU A 49 -13.618 0.676 -4.946 1.00 0.00 C ATOM 724 O LEU A 49 -14.613 1.180 -5.464 1.00 0.00 O ATOM 725 CB LEU A 49 -12.159 2.126 -3.418 1.00 0.00 C ATOM 726 CG LEU A 49 -10.779 2.712 -3.114 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.881 3.867 -2.116 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.814 1.625 -2.637 1.00 0.00 C ATOM 0 H LEU A 49 -11.966 3.415 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.498 0.782 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.899 2.920 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.389 1.378 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.371 3.121 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.886 4.265 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.510 4.653 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.320 3.506 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.841 2.069 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.205 1.164 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.708 0.867 -3.413 1.00 0.00 H new ATOM 740 N PRO A 50 -13.558 -0.597 -4.470 1.00 0.00 N ATOM 741 CA PRO A 50 -14.711 -1.479 -4.546 1.00 0.00 C ATOM 742 C PRO A 50 -15.760 -1.100 -3.499 1.00 0.00 C ATOM 743 O PRO A 50 -15.423 -0.580 -2.436 1.00 0.00 O ATOM 744 CB PRO A 50 -14.150 -2.877 -4.345 1.00 0.00 C ATOM 745 CG PRO A 50 -12.784 -2.691 -3.705 1.00 0.00 C ATOM 746 CD PRO A 50 -12.397 -1.228 -3.850 1.00 0.00 C ATOM 0 HA PRO A 50 -15.234 -1.407 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.803 -3.471 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.067 -3.405 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.813 -2.976 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.046 -3.331 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.173 -0.780 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.507 -1.113 -4.468 1.00 0.00 H new ATOM 754 N GLU A 51 -17.012 -1.375 -3.836 1.00 0.00 N ATOM 755 CA GLU A 51 -18.113 -1.069 -2.939 1.00 0.00 C ATOM 756 C GLU A 51 -17.871 -1.701 -1.567 1.00 0.00 C ATOM 757 O GLU A 51 -17.403 -2.835 -1.476 1.00 0.00 O ATOM 758 CB GLU A 51 -19.446 -1.534 -3.529 1.00 0.00 C ATOM 759 CG GLU A 51 -20.464 -0.392 -3.551 1.00 0.00 C ATOM 760 CD GLU A 51 -21.535 -0.633 -4.617 1.00 0.00 C ATOM 761 OE1 GLU A 51 -21.230 -0.363 -5.799 1.00 0.00 O ATOM 762 OE2 GLU A 51 -22.634 -1.081 -4.226 1.00 0.00 O ATOM 0 H GLU A 51 -17.288 -1.806 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.165 0.013 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.290 -1.906 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.838 -2.364 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.934 -0.300 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.954 0.551 -3.749 1.00 0.00 H new ATOM 769 N GLY A 52 -18.199 -0.939 -0.534 1.00 0.00 N ATOM 770 CA GLY A 52 -18.023 -1.411 0.830 1.00 0.00 C ATOM 771 C GLY A 52 -16.542 -1.438 1.213 1.00 0.00 C ATOM 772 O GLY A 52 -16.185 -1.914 2.289 1.00 0.00 O ATOM 0 H GLY A 52 -18.586 0.002 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.568 -0.763 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.447 -2.410 0.931 1.00 0.00 H new ATOM 776 N VAL A 53 -15.721 -0.921 0.311 1.00 0.00 N ATOM 777 CA VAL A 53 -14.287 -0.880 0.541 1.00 0.00 C ATOM 778 C VAL A 53 -13.787 0.555 0.364 1.00 0.00 C ATOM 779 O VAL A 53 -13.500 0.983 -0.753 1.00 0.00 O ATOM 780 CB VAL A 53 -13.580 -1.877 -0.379 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.086 -1.956 -0.058 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.232 -3.259 -0.294 1.00 0.00 C ATOM 0 H VAL A 53 -16.021 -0.527 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.056 -1.181 1.563 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.684 -1.519 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.608 -2.672 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.632 -0.974 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.952 -2.278 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.710 -3.949 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.173 -3.627 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.277 -3.187 -0.594 1.00 0.00 H new ATOM 792 N PRO A 54 -13.695 1.278 1.512 1.00 0.00 N ATOM 793 CA PRO A 54 -13.234 2.656 1.494 1.00 0.00 C ATOM 794 C PRO A 54 -11.720 2.726 1.288 1.00 0.00 C ATOM 795 O PRO A 54 -11.064 1.698 1.128 1.00 0.00 O ATOM 796 CB PRO A 54 -13.680 3.238 2.826 1.00 0.00 C ATOM 797 CG PRO A 54 -13.961 2.046 3.727 1.00 0.00 C ATOM 798 CD PRO A 54 -14.025 0.805 2.853 1.00 0.00 C ATOM 0 HA PRO A 54 -13.651 3.228 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.906 3.876 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.571 3.855 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.179 1.943 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.901 2.185 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.319 0.046 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.016 0.352 2.880 1.00 0.00 H new ATOM 806 N PHE A 55 -11.209 3.948 1.299 1.00 0.00 N ATOM 807 CA PHE A 55 -9.784 4.165 1.115 1.00 0.00 C ATOM 808 C PHE A 55 -9.051 4.160 2.458 1.00 0.00 C ATOM 809 O PHE A 55 -8.114 4.931 2.661 1.00 0.00 O ATOM 810 CB PHE A 55 -9.621 5.540 0.464 1.00 0.00 C ATOM 811 CG PHE A 55 -8.165 5.967 0.268 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.249 5.072 -0.189 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.787 7.243 0.551 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.898 5.469 -0.371 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.436 7.639 0.370 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.520 6.744 -0.087 1.00 0.00 C ATOM 0 H PHE A 55 -11.756 4.798 1.432 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.363 3.371 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.121 5.533 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.128 6.284 1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.549 4.059 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.515 7.954 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.171 4.758 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.135 8.652 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.492 7.046 -0.224 1.00 0.00 H new ATOM 826 N ARG A 56 -9.506 3.283 3.341 1.00 0.00 N ATOM 827 CA ARG A 56 -8.905 3.168 4.659 1.00 0.00 C ATOM 828 C ARG A 56 -7.525 2.516 4.558 1.00 0.00 C ATOM 829 O ARG A 56 -7.064 2.197 3.463 1.00 0.00 O ATOM 830 CB ARG A 56 -9.786 2.338 5.595 1.00 0.00 C ATOM 831 CG ARG A 56 -10.636 3.241 6.492 1.00 0.00 C ATOM 832 CD ARG A 56 -9.927 3.518 7.819 1.00 0.00 C ATOM 833 NE ARG A 56 -10.840 3.237 8.949 1.00 0.00 N ATOM 834 CZ ARG A 56 -12.008 3.864 9.146 1.00 0.00 C ATOM 835 NH1 ARG A 56 -12.411 4.813 8.290 1.00 0.00 N ATOM 836 NH2 ARG A 56 -12.772 3.544 10.199 1.00 0.00 N ATOM 0 H ARG A 56 -10.284 2.646 3.170 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.806 4.174 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.435 1.688 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.161 1.692 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.838 4.182 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.599 2.768 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.034 2.899 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.599 4.557 7.856 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.563 2.521 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.829 5.058 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.300 5.290 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.465 2.823 10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.661 4.022 10.348 1.00 0.00 H new ATOM 850 N ARG A 57 -6.904 2.339 5.715 1.00 0.00 N ATOM 851 CA ARG A 57 -5.585 1.731 5.770 1.00 0.00 C ATOM 852 C ARG A 57 -5.666 0.252 5.387 1.00 0.00 C ATOM 853 O ARG A 57 -6.684 -0.399 5.619 1.00 0.00 O ATOM 854 CB ARG A 57 -4.979 1.855 7.170 1.00 0.00 C ATOM 855 CG ARG A 57 -4.748 3.322 7.538 1.00 0.00 C ATOM 856 CD ARG A 57 -5.724 3.775 8.626 1.00 0.00 C ATOM 857 NE ARG A 57 -5.305 5.087 9.168 1.00 0.00 N ATOM 858 CZ ARG A 57 -5.991 5.771 10.094 1.00 0.00 C ATOM 859 NH1 ARG A 57 -7.133 5.272 10.586 1.00 0.00 N ATOM 860 NH2 ARG A 57 -5.535 6.954 10.527 1.00 0.00 N ATOM 0 H ARG A 57 -7.289 2.606 6.621 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.947 2.259 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.644 1.393 7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.034 1.313 7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.723 3.457 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.870 3.946 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.731 3.847 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.758 3.036 9.426 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.440 5.496 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.480 4.372 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.655 5.793 11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.666 7.334 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.057 7.475 11.232 1.00 0.00 H new ATOM 874 N PRO A 58 -4.550 -0.250 4.792 1.00 0.00 N ATOM 875 CA PRO A 58 -4.486 -1.640 4.375 1.00 0.00 C ATOM 876 C PRO A 58 -4.302 -2.566 5.579 1.00 0.00 C ATOM 877 O PRO A 58 -4.984 -3.583 5.694 1.00 0.00 O ATOM 878 CB PRO A 58 -3.326 -1.703 3.394 1.00 0.00 C ATOM 879 CG PRO A 58 -2.495 -0.456 3.651 1.00 0.00 C ATOM 880 CD PRO A 58 -3.326 0.491 4.502 1.00 0.00 C ATOM 0 HA PRO A 58 -5.408 -1.981 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.734 -2.605 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.685 -1.728 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.567 -0.714 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.219 0.019 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.802 0.764 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.541 1.417 3.969 1.00 0.00 H new ATOM 888 N SER A 59 -3.376 -2.181 6.445 1.00 0.00 N ATOM 889 CA SER A 59 -3.094 -2.964 7.636 1.00 0.00 C ATOM 890 C SER A 59 -4.274 -2.884 8.607 1.00 0.00 C ATOM 891 O SER A 59 -4.126 -2.409 9.732 1.00 0.00 O ATOM 892 CB SER A 59 -1.812 -2.484 8.319 1.00 0.00 C ATOM 893 OG SER A 59 -1.889 -1.113 8.698 1.00 0.00 O ATOM 0 H SER A 59 -2.812 -1.337 6.346 1.00 0.00 H new ATOM 0 HA SER A 59 -2.948 -4.002 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.622 -3.094 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.967 -2.627 7.645 1.00 0.00 H new ATOM 0 HG SER A 59 -2.640 -0.986 9.314 1.00 0.00 H new ATOM 899 N THR A 60 -5.419 -3.356 8.136 1.00 0.00 N ATOM 900 CA THR A 60 -6.624 -3.344 8.948 1.00 0.00 C ATOM 901 C THR A 60 -7.738 -4.136 8.261 1.00 0.00 C ATOM 902 O THR A 60 -8.449 -4.903 8.909 1.00 0.00 O ATOM 903 CB THR A 60 -6.995 -1.885 9.221 1.00 0.00 C ATOM 904 OG1 THR A 60 -6.981 -1.783 10.643 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.443 -1.568 8.840 1.00 0.00 C ATOM 0 H THR A 60 -5.538 -3.749 7.202 1.00 0.00 H new ATOM 0 HA THR A 60 -6.461 -3.838 9.906 1.00 0.00 H new ATOM 0 HB THR A 60 -6.322 -1.230 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.082 -1.986 10.977 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.654 -0.520 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.589 -1.758 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.118 -2.200 9.418 1.00 0.00 H new ATOM 913 N PHE A 61 -7.856 -3.922 6.959 1.00 0.00 N ATOM 914 CA PHE A 61 -8.871 -4.607 6.177 1.00 0.00 C ATOM 915 C PHE A 61 -8.757 -6.124 6.338 1.00 0.00 C ATOM 916 O PHE A 61 -7.717 -6.631 6.755 1.00 0.00 O ATOM 917 CB PHE A 61 -8.629 -4.242 4.711 1.00 0.00 C ATOM 918 CG PHE A 61 -9.164 -2.864 4.317 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.447 -2.522 4.614 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.357 -1.981 3.669 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.943 -1.243 4.248 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.854 -0.702 3.303 1.00 0.00 C ATOM 923 CZ PHE A 61 -10.136 -0.360 3.600 1.00 0.00 C ATOM 0 H PHE A 61 -7.265 -3.284 6.426 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.864 -4.307 6.512 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.558 -4.276 4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.096 -4.996 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.088 -3.223 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.339 -2.253 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.961 -0.971 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.214 -0.001 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.514 0.613 3.321 1.00 0.00 H new ATOM 933 N GLY A 62 -9.841 -6.807 5.999 1.00 0.00 N ATOM 934 CA GLY A 62 -9.875 -8.256 6.101 1.00 0.00 C ATOM 935 C GLY A 62 -8.892 -8.897 5.120 1.00 0.00 C ATOM 936 O GLY A 62 -8.198 -8.198 4.384 1.00 0.00 O ATOM 0 H GLY A 62 -10.702 -6.383 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.628 -8.559 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.884 -8.615 5.897 1.00 0.00 H new ATOM 940 N ILE A 63 -8.864 -10.222 5.141 1.00 0.00 N ATOM 941 CA ILE A 63 -7.978 -10.966 4.262 1.00 0.00 C ATOM 942 C ILE A 63 -8.482 -10.853 2.822 1.00 0.00 C ATOM 943 O ILE A 63 -7.698 -10.621 1.903 1.00 0.00 O ATOM 944 CB ILE A 63 -7.827 -12.408 4.750 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.963 -12.473 6.011 1.00 0.00 C ATOM 946 CG2 ILE A 63 -7.286 -13.309 3.638 1.00 0.00 C ATOM 947 CD1 ILE A 63 -7.354 -13.669 6.883 1.00 0.00 C ATOM 0 H ILE A 63 -9.441 -10.799 5.753 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.975 -10.540 4.283 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.815 -12.783 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.912 -12.550 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.075 -11.551 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.188 -14.328 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.974 -13.296 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.310 -12.945 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.725 -13.692 7.773 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.399 -13.577 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.217 -14.591 6.318 1.00 0.00 H new ATOM 959 N PRO A 64 -9.821 -11.028 2.667 1.00 0.00 N ATOM 960 CA PRO A 64 -10.439 -10.948 1.354 1.00 0.00 C ATOM 961 C PRO A 64 -10.538 -9.496 0.882 1.00 0.00 C ATOM 962 O PRO A 64 -10.163 -9.179 -0.246 1.00 0.00 O ATOM 963 CB PRO A 64 -11.795 -11.614 1.516 1.00 0.00 C ATOM 964 CG PRO A 64 -12.078 -11.626 3.009 1.00 0.00 C ATOM 965 CD PRO A 64 -10.780 -11.305 3.732 1.00 0.00 C ATOM 0 HA PRO A 64 -9.854 -11.449 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.567 -11.065 0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.783 -12.627 1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.845 -10.893 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.456 -12.600 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.897 -10.446 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.454 -12.141 4.351 1.00 0.00 H new ATOM 973 N ARG A 65 -11.046 -8.653 1.769 1.00 0.00 N ATOM 974 CA ARG A 65 -11.200 -7.242 1.457 1.00 0.00 C ATOM 975 C ARG A 65 -9.902 -6.684 0.871 1.00 0.00 C ATOM 976 O ARG A 65 -9.931 -5.905 -0.081 1.00 0.00 O ATOM 977 CB ARG A 65 -11.574 -6.440 2.705 1.00 0.00 C ATOM 978 CG ARG A 65 -12.991 -5.873 2.588 1.00 0.00 C ATOM 979 CD ARG A 65 -13.107 -4.533 3.317 1.00 0.00 C ATOM 980 NE ARG A 65 -13.268 -4.760 4.771 1.00 0.00 N ATOM 981 CZ ARG A 65 -13.453 -3.782 5.668 1.00 0.00 C ATOM 982 NH1 ARG A 65 -13.503 -2.505 5.266 1.00 0.00 N ATOM 983 NH2 ARG A 65 -13.590 -4.081 6.967 1.00 0.00 N ATOM 0 H ARG A 65 -11.356 -8.920 2.703 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.003 -7.149 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.505 -7.078 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.863 -5.626 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.249 -5.743 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.706 -6.582 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.218 -3.930 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.959 -3.972 2.932 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.236 -5.721 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.400 -2.277 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.644 -1.761 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.553 -5.053 7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.731 -3.336 7.650 1.00 0.00 H new ATOM 997 N LEU A 66 -8.794 -7.103 1.463 1.00 0.00 N ATOM 998 CA LEU A 66 -7.487 -6.655 1.012 1.00 0.00 C ATOM 999 C LEU A 66 -7.331 -6.970 -0.477 1.00 0.00 C ATOM 1000 O LEU A 66 -7.120 -6.069 -1.288 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.384 -7.253 1.886 1.00 0.00 C ATOM 1002 CG LEU A 66 -6.006 -6.450 3.133 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.324 -7.341 4.173 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.149 -5.237 2.765 1.00 0.00 C ATOM 0 H LEU A 66 -8.774 -7.749 2.252 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.396 -5.574 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.697 -8.249 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.491 -7.378 1.274 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.922 -6.071 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.066 -6.746 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.002 -8.143 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.418 -7.770 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.894 -4.684 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.235 -5.572 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.707 -4.589 2.088 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.442 -8.252 -0.792 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.316 -8.698 -2.170 1.00 0.00 C ATOM 1018 C GLU A 67 -8.234 -7.879 -3.079 1.00 0.00 C ATOM 1019 O GLU A 67 -7.828 -7.460 -4.162 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.616 -10.193 -2.292 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.385 -11.030 -1.936 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.168 -12.148 -2.959 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -6.201 -11.826 -4.166 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.974 -13.298 -2.510 1.00 0.00 O ATOM 0 H GLU A 67 -7.618 -8.996 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.286 -8.540 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.443 -10.457 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.934 -10.422 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.504 -10.390 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.508 -11.460 -0.942 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.454 -7.674 -2.605 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.433 -6.912 -3.362 1.00 0.00 C ATOM 1033 C LYS A 68 -9.788 -5.619 -3.864 1.00 0.00 C ATOM 1034 O LYS A 68 -9.645 -5.420 -5.070 1.00 0.00 O ATOM 1035 CB LYS A 68 -11.696 -6.686 -2.529 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.266 -8.014 -2.027 1.00 0.00 C ATOM 1037 CD LYS A 68 -13.793 -8.030 -2.132 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.267 -9.154 -3.056 1.00 0.00 C ATOM 1039 NZ LYS A 68 -14.803 -10.284 -2.264 1.00 0.00 N ATOM 0 H LYS A 68 -9.787 -8.022 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.754 -7.471 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.466 -6.041 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.444 -6.169 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.849 -8.836 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.967 -8.174 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.228 -8.161 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.145 -7.070 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.036 -8.778 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.439 -9.497 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.120 -11.038 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.059 -10.653 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.607 -9.956 -1.691 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.416 -4.773 -2.915 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.790 -3.504 -3.246 1.00 0.00 C ATOM 1055 C ILE A 69 -7.814 -3.710 -4.407 1.00 0.00 C ATOM 1056 O ILE A 69 -7.895 -3.018 -5.420 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.146 -2.884 -2.004 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.210 -2.323 -1.058 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -7.111 -1.827 -2.393 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.853 -2.614 0.401 1.00 0.00 C ATOM 0 H ILE A 69 -9.536 -4.941 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.538 -2.786 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.617 -3.670 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.303 -1.247 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.179 -2.762 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.669 -1.402 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.330 -2.288 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.596 -1.037 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.625 -2.205 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.785 -3.691 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.895 -2.153 0.640 1.00 0.00 H new ATOM 1072 N LEU A 70 -6.914 -4.664 -4.219 1.00 0.00 N ATOM 1073 CA LEU A 70 -5.924 -4.969 -5.238 1.00 0.00 C ATOM 1074 C LEU A 70 -6.634 -5.276 -6.558 1.00 0.00 C ATOM 1075 O LEU A 70 -6.375 -4.629 -7.572 1.00 0.00 O ATOM 1076 CB LEU A 70 -4.996 -6.090 -4.764 1.00 0.00 C ATOM 1077 CG LEU A 70 -3.698 -5.645 -4.088 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -3.234 -6.678 -3.059 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -2.615 -5.341 -5.125 1.00 0.00 C ATOM 0 H LEU A 70 -6.850 -5.236 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.281 -4.107 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.548 -6.721 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.741 -6.711 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.894 -4.719 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.309 -6.337 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.002 -6.801 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.060 -7.633 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.703 -5.027 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.413 -6.236 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.956 -4.543 -5.784 1.00 0.00 H new ATOM 1091 N ARG A 71 -7.517 -6.263 -6.503 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.266 -6.663 -7.682 1.00 0.00 C ATOM 1093 C ARG A 71 -8.661 -5.434 -8.503 1.00 0.00 C ATOM 1094 O ARG A 71 -8.646 -5.473 -9.732 1.00 0.00 O ATOM 1095 CB ARG A 71 -9.529 -7.436 -7.295 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.353 -8.935 -7.546 1.00 0.00 C ATOM 1097 CD ARG A 71 -10.210 -9.757 -6.582 1.00 0.00 C ATOM 1098 NE ARG A 71 -11.591 -9.868 -7.101 1.00 0.00 N ATOM 1099 CZ ARG A 71 -12.546 -10.623 -6.541 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -12.275 -11.339 -5.442 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -13.772 -10.663 -7.081 1.00 0.00 N ATOM 0 H ARG A 71 -7.730 -6.797 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.624 -7.311 -8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.757 -7.264 -6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.377 -7.065 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.629 -9.170 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.304 -9.206 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.779 -10.750 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.219 -9.286 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.831 -9.336 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.342 -11.310 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.002 -11.914 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.978 -10.119 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.499 -11.238 -6.654 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.003 -4.370 -7.790 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.401 -3.132 -8.437 1.00 0.00 C ATOM 1117 C ASN A 72 -8.291 -2.092 -8.265 1.00 0.00 C ATOM 1118 O ASN A 72 -8.543 -0.983 -7.797 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.678 -2.568 -7.811 1.00 0.00 C ATOM 1120 CG ASN A 72 -11.913 -3.316 -8.319 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.853 -4.111 -9.241 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -13.032 -3.017 -7.666 1.00 0.00 N ATOM 0 H ASN A 72 -9.012 -4.341 -6.770 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.580 -3.345 -9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.621 -2.647 -6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.767 -1.508 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.911 -3.463 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.012 -2.341 -6.902 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.088 -2.489 -8.651 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.939 -1.605 -8.544 1.00 0.00 C ATOM 1131 C LYS A 73 -5.852 -0.736 -9.800 1.00 0.00 C ATOM 1132 O LYS A 73 -5.112 0.247 -9.829 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.668 -2.410 -8.265 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.312 -3.305 -9.454 1.00 0.00 C ATOM 1135 CD LYS A 73 -2.941 -3.954 -9.260 1.00 0.00 C ATOM 1136 CE LYS A 73 -3.065 -5.476 -9.158 1.00 0.00 C ATOM 1137 NZ LYS A 73 -1.943 -6.136 -9.862 1.00 0.00 N ATOM 0 H LYS A 73 -6.883 -3.410 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.055 -0.931 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.842 -1.730 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.809 -3.022 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.071 -4.078 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.313 -2.715 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.290 -3.694 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.474 -3.562 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.072 -5.777 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.013 -5.799 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.043 -7.168 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.954 -5.863 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.043 -5.841 -9.433 1.00 0.00 H new ATOM 1151 N ALA A 74 -6.618 -1.128 -10.807 1.00 0.00 N ATOM 1152 CA ALA A 74 -6.637 -0.396 -12.062 1.00 0.00 C ATOM 1153 C ALA A 74 -7.761 0.641 -12.026 1.00 0.00 C ATOM 1154 O ALA A 74 -7.591 1.762 -12.502 1.00 0.00 O ATOM 1155 CB ALA A 74 -6.788 -1.380 -13.225 1.00 0.00 C ATOM 0 H ALA A 74 -7.230 -1.943 -10.780 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.699 0.140 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.802 -0.831 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.949 -2.076 -13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.720 -1.934 -13.114 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.885 0.229 -11.457 1.00 0.00 N ATOM 1162 CA LYS A 75 -10.036 1.109 -11.353 1.00 0.00 C ATOM 1163 C LYS A 75 -9.728 2.230 -10.358 1.00 0.00 C ATOM 1164 O LYS A 75 -10.172 3.363 -10.537 1.00 0.00 O ATOM 1165 CB LYS A 75 -11.293 0.308 -11.007 1.00 0.00 C ATOM 1166 CG LYS A 75 -11.522 -0.818 -12.018 1.00 0.00 C ATOM 1167 CD LYS A 75 -12.224 -0.294 -13.272 1.00 0.00 C ATOM 1168 CE LYS A 75 -13.740 -0.467 -13.165 1.00 0.00 C ATOM 1169 NZ LYS A 75 -14.437 0.740 -13.662 1.00 0.00 N ATOM 0 H LYS A 75 -9.023 -0.702 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.241 1.582 -12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.197 -0.112 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.158 0.971 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.567 -1.266 -12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.123 -1.604 -11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.984 0.760 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.855 -0.826 -14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.054 -1.338 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.018 -0.653 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.465 0.605 -13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.151 1.564 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.186 0.901 -14.658 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.970 1.874 -9.331 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.597 2.836 -8.308 1.00 0.00 C ATOM 1185 C ILE A 76 -7.934 4.046 -8.969 1.00 0.00 C ATOM 1186 O ILE A 76 -7.196 3.899 -9.942 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.733 2.170 -7.236 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.597 1.401 -6.234 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.829 3.193 -6.546 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.739 0.485 -5.359 1.00 0.00 C ATOM 0 H ILE A 76 -8.604 0.933 -9.186 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.482 3.202 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.083 1.444 -7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.143 2.104 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.339 0.808 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.226 2.693 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.174 3.656 -7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.442 3.960 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.378 -0.050 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.213 -0.232 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.014 1.083 -4.808 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.219 5.214 -8.413 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.659 6.449 -8.936 1.00 0.00 C ATOM 1204 C LYS A 77 -7.521 7.463 -7.799 1.00 0.00 C ATOM 1205 O LYS A 77 -8.436 7.625 -6.993 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.490 6.956 -10.116 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.592 7.538 -11.209 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.224 7.358 -12.591 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.600 8.315 -13.608 1.00 0.00 C ATOM 1210 NZ LYS A 77 -6.497 7.650 -14.338 1.00 0.00 N ATOM 0 H LYS A 77 -8.831 5.332 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.658 6.276 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.084 6.139 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.190 7.717 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.421 8.598 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.618 7.049 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.090 6.329 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.298 7.536 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.360 8.651 -14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.224 9.202 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.085 8.314 -15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.765 7.351 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.866 6.817 -14.840 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.371 8.120 -7.771 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.102 9.114 -6.746 1.00 0.00 C ATOM 1226 C PHE A 78 -6.423 10.523 -7.251 1.00 0.00 C ATOM 1227 O PHE A 78 -5.958 10.925 -8.316 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.609 9.029 -6.421 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.260 7.970 -5.374 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.466 6.653 -5.644 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.742 8.345 -4.174 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.142 5.670 -4.673 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.417 7.362 -3.202 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.624 6.045 -3.472 1.00 0.00 C ATOM 0 H PHE A 78 -5.615 7.983 -8.442 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.721 8.921 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.060 8.814 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.269 10.002 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.876 6.355 -6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.578 9.391 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.307 4.624 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.006 7.660 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.377 5.297 -2.733 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.215 11.233 -6.462 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.603 12.588 -6.815 1.00 0.00 C ATOM 1246 C ILE A 79 -6.954 13.571 -5.839 1.00 0.00 C ATOM 1247 O ILE A 79 -7.023 13.384 -4.626 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.127 12.708 -6.886 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.741 11.488 -7.577 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.543 14.018 -7.558 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.183 11.321 -8.992 1.00 0.00 C ATOM 0 H ILE A 79 -7.599 10.896 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.240 12.840 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.516 12.731 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.534 10.592 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.825 11.597 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.631 14.078 -7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.153 14.860 -6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.143 14.050 -8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.635 10.447 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.413 12.209 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.102 11.188 -8.944 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.338 14.598 -6.406 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.677 15.611 -5.601 1.00 0.00 C ATOM 1265 C ILE A 80 -6.173 16.996 -6.022 1.00 0.00 C ATOM 1266 O ILE A 80 -5.885 17.453 -7.127 1.00 0.00 O ATOM 1267 CB ILE A 80 -4.157 15.453 -5.681 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.754 13.979 -5.591 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.460 16.304 -4.618 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -2.331 13.832 -5.049 1.00 0.00 C ATOM 0 H ILE A 80 -6.283 14.750 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.933 15.486 -4.549 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.826 15.819 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.451 13.447 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.821 13.519 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.381 16.173 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.710 17.354 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.792 15.992 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.070 12.775 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.634 14.345 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.274 14.271 -4.053 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.912 17.625 -5.119 1.00 0.00 N ATOM 1283 CA LYS A 81 -7.451 18.948 -5.383 1.00 0.00 C ATOM 1284 C LYS A 81 -6.472 20.005 -4.869 1.00 0.00 C ATOM 1285 O LYS A 81 -6.477 21.142 -5.339 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.860 19.078 -4.800 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.721 17.870 -5.173 1.00 0.00 C ATOM 1288 CD LYS A 81 -10.935 18.297 -6.001 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.016 17.502 -7.305 1.00 0.00 C ATOM 1290 NZ LYS A 81 -10.569 18.332 -8.446 1.00 0.00 N ATOM 0 H LYS A 81 -7.150 17.242 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.559 19.109 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.802 19.167 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.328 19.991 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.124 17.154 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.054 17.363 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.846 18.146 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.871 19.362 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.396 16.609 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.040 17.167 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.630 17.777 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.178 19.172 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.585 18.631 -8.293 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.656 19.593 -3.910 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.673 20.490 -3.327 1.00 0.00 C ATOM 1306 C LYS A 82 -3.297 19.823 -3.359 1.00 0.00 C ATOM 1307 O LYS A 82 -2.785 19.399 -2.324 1.00 0.00 O ATOM 1308 CB LYS A 82 -5.112 20.929 -1.928 1.00 0.00 C ATOM 1309 CG LYS A 82 -6.447 21.674 -1.981 1.00 0.00 C ATOM 1310 CD LYS A 82 -6.569 22.665 -0.822 1.00 0.00 C ATOM 1311 CE LYS A 82 -7.567 23.776 -1.153 1.00 0.00 C ATOM 1312 NZ LYS A 82 -6.855 25.023 -1.512 1.00 0.00 N ATOM 0 H LYS A 82 -5.656 18.650 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.597 21.405 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.204 20.056 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.350 21.572 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.534 22.205 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.268 20.959 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.889 22.140 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.593 23.100 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.206 23.464 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.218 23.955 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.413 25.553 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.724 25.606 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.926 24.788 -1.917 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.722 19.749 -4.589 1.00 0.00 N ATOM 1327 CA PRO A 83 -1.415 19.140 -4.769 1.00 0.00 C ATOM 1328 C PRO A 83 -0.305 20.066 -4.268 1.00 0.00 C ATOM 1329 O PRO A 83 0.853 19.661 -4.176 1.00 0.00 O ATOM 1330 CB PRO A 83 -1.319 18.848 -6.258 1.00 0.00 C ATOM 1331 CG PRO A 83 -2.371 19.720 -6.922 1.00 0.00 C ATOM 1332 CD PRO A 83 -3.299 20.240 -5.837 1.00 0.00 C ATOM 0 HA PRO A 83 -1.293 18.225 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.324 19.079 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.501 17.793 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.901 20.549 -7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.931 19.147 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.350 21.329 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.315 19.872 -5.975 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.697 21.294 -3.959 1.00 0.00 N ATOM 1341 CA GLU A 84 0.250 22.281 -3.470 1.00 0.00 C ATOM 1342 C GLU A 84 0.691 21.934 -2.046 1.00 0.00 C ATOM 1343 O GLU A 84 1.663 22.493 -1.540 1.00 0.00 O ATOM 1344 CB GLU A 84 -0.345 23.689 -3.531 1.00 0.00 C ATOM 1345 CG GLU A 84 -1.547 23.818 -2.595 1.00 0.00 C ATOM 1346 CD GLU A 84 -2.849 23.953 -3.388 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -2.888 23.406 -4.511 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -3.774 24.601 -2.854 1.00 0.00 O ATOM 0 H GLU A 84 -1.658 21.627 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 84 1.128 22.264 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.415 24.421 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.650 23.915 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.602 22.944 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.418 24.687 -1.950 1.00 0.00 H new ATOM 1355 N MET A 85 -0.045 21.014 -1.441 1.00 0.00 N ATOM 1356 CA MET A 85 0.259 20.586 -0.086 1.00 0.00 C ATOM 1357 C MET A 85 1.088 19.300 -0.089 1.00 0.00 C ATOM 1358 O MET A 85 1.826 19.030 0.857 1.00 0.00 O ATOM 1359 CB MET A 85 -1.045 20.350 0.679 1.00 0.00 C ATOM 1360 CG MET A 85 -1.623 21.669 1.197 1.00 0.00 C ATOM 1361 SD MET A 85 -1.518 21.724 2.978 1.00 0.00 S ATOM 1362 CE MET A 85 -2.605 20.371 3.395 1.00 0.00 C ATOM 0 H MET A 85 -0.851 20.553 -1.864 1.00 0.00 H new ATOM 0 HA MET A 85 0.840 21.369 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.770 19.862 0.027 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.863 19.675 1.515 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.078 22.509 0.766 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.662 21.769 0.882 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.210 19.841 4.261 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.596 20.759 3.628 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.673 19.686 2.550 1.00 0.00 H new ATOM 1372 N PHE A 86 0.938 18.540 -1.164 1.00 0.00 N ATOM 1373 CA PHE A 86 1.664 17.289 -1.304 1.00 0.00 C ATOM 1374 C PHE A 86 3.167 17.540 -1.444 1.00 0.00 C ATOM 1375 O PHE A 86 3.978 16.684 -1.093 1.00 0.00 O ATOM 1376 CB PHE A 86 1.151 16.613 -2.577 1.00 0.00 C ATOM 1377 CG PHE A 86 0.225 15.423 -2.319 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -0.987 15.618 -1.733 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.614 14.169 -2.676 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -1.846 14.513 -1.495 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.246 13.064 -2.437 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.457 13.259 -1.852 1.00 0.00 C ATOM 0 H PHE A 86 0.324 18.767 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 86 1.507 16.668 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.619 17.350 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.004 16.276 -3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.296 16.613 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.576 14.014 -3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.809 14.668 -1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.063 12.069 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.111 12.419 -1.670 1.00 0.00 H new ATOM 1392 N GLU A 87 3.492 18.717 -1.958 1.00 0.00 N ATOM 1393 CA GLU A 87 4.883 19.091 -2.149 1.00 0.00 C ATOM 1394 C GLU A 87 5.719 18.662 -0.942 1.00 0.00 C ATOM 1395 O GLU A 87 6.634 17.850 -1.072 1.00 0.00 O ATOM 1396 CB GLU A 87 5.017 20.594 -2.402 1.00 0.00 C ATOM 1397 CG GLU A 87 5.655 20.865 -3.766 1.00 0.00 C ATOM 1398 CD GLU A 87 6.776 21.900 -3.651 1.00 0.00 C ATOM 1399 OE1 GLU A 87 7.809 21.552 -3.039 1.00 0.00 O ATOM 1400 OE2 GLU A 87 6.575 23.016 -4.178 1.00 0.00 O ATOM 0 H GLU A 87 2.816 19.424 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 87 5.260 18.572 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.034 21.063 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.623 21.046 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.053 19.937 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.896 21.222 -4.462 1.00 0.00 H new ATOM 1407 N THR A 88 5.375 19.226 0.207 1.00 0.00 N ATOM 1408 CA THR A 88 6.082 18.912 1.437 1.00 0.00 C ATOM 1409 C THR A 88 6.203 17.396 1.610 1.00 0.00 C ATOM 1410 O THR A 88 7.180 16.909 2.176 1.00 0.00 O ATOM 1411 CB THR A 88 5.351 19.599 2.591 1.00 0.00 C ATOM 1412 OG1 THR A 88 5.726 20.969 2.473 1.00 0.00 O ATOM 1413 CG2 THR A 88 5.893 19.181 3.960 1.00 0.00 C ATOM 0 H THR A 88 4.616 19.899 0.312 1.00 0.00 H new ATOM 0 HA THR A 88 7.105 19.287 1.412 1.00 0.00 H new ATOM 0 HB THR A 88 4.287 19.367 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.294 21.489 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.339 19.698 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.778 18.104 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.949 19.443 4.029 1.00 0.00 H new ATOM 1421 N ALA A 89 5.195 16.694 1.114 1.00 0.00 N ATOM 1422 CA ALA A 89 5.176 15.244 1.207 1.00 0.00 C ATOM 1423 C ALA A 89 6.133 14.658 0.167 1.00 0.00 C ATOM 1424 O ALA A 89 6.910 13.754 0.472 1.00 0.00 O ATOM 1425 CB ALA A 89 3.743 14.740 1.030 1.00 0.00 C ATOM 0 H ALA A 89 4.386 17.102 0.646 1.00 0.00 H new ATOM 0 HA ALA A 89 5.517 14.918 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.729 13.652 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.110 15.162 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.368 15.046 0.053 1.00 0.00 H new ATOM 1431 N ILE A 90 6.045 15.196 -1.041 1.00 0.00 N ATOM 1432 CA ILE A 90 6.894 14.738 -2.128 1.00 0.00 C ATOM 1433 C ILE A 90 8.361 14.878 -1.718 1.00 0.00 C ATOM 1434 O ILE A 90 9.204 14.086 -2.136 1.00 0.00 O ATOM 1435 CB ILE A 90 6.545 15.470 -3.425 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.068 15.286 -3.779 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.467 15.034 -4.566 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.571 16.428 -4.668 1.00 0.00 C ATOM 0 H ILE A 90 5.399 15.945 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 90 6.719 13.681 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 90 6.708 16.536 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.929 14.334 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.474 15.246 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.197 15.569 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.501 15.260 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.360 13.962 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.518 16.273 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.689 17.376 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.151 16.450 -5.590 1.00 0.00 H new ATOM 1450 N LYS A 91 8.621 15.891 -0.904 1.00 0.00 N ATOM 1451 CA LYS A 91 9.972 16.145 -0.433 1.00 0.00 C ATOM 1452 C LYS A 91 10.372 15.056 0.565 1.00 0.00 C ATOM 1453 O LYS A 91 11.097 14.125 0.216 1.00 0.00 O ATOM 1454 CB LYS A 91 10.086 17.564 0.127 1.00 0.00 C ATOM 1455 CG LYS A 91 9.881 18.606 -0.975 1.00 0.00 C ATOM 1456 CD LYS A 91 10.770 19.830 -0.745 1.00 0.00 C ATOM 1457 CE LYS A 91 12.174 19.602 -1.309 1.00 0.00 C ATOM 1458 NZ LYS A 91 12.850 20.895 -1.554 1.00 0.00 N ATOM 0 H LYS A 91 7.919 16.545 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 91 10.680 16.096 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.345 17.710 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.066 17.701 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.109 18.164 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.835 18.912 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.322 20.704 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.833 20.043 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.760 19.005 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.112 19.036 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.802 20.722 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.298 21.451 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.927 21.422 -0.660 1.00 0.00 H new