USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 11 LYS NZ :NH3+ -178:sc= 0.673 (180deg=-0.00808) USER MOD Set 1.2: A 67 THR OG1 : rot -35:sc= 1.69 USER MOD Set 1.3: A 68 ASN : amide:sc= 0.0104 K(o=2.4,f=-0.62) USER MOD Set 2.1: A 37 CYS SG : rot -179:sc= 0.306 USER MOD Set 2.2: A 40 CYS SG : rot 90:sc= -0.193 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -175:sc= 1.53 (180deg=0.673) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.71 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.573 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 64:sc= 0.87 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 70:sc= 0.99 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.02) USER MOD Single : A 71 THR OG1 : rot -150:sc= 0.00931 USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.56) USER MOD Single : A 76 GLN : amide:sc= 0.901 K(o=0.9,f=-5.3!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 145:sc= 0.624 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 3.22 (180deg=3.2) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0.976 (180deg=0.953) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 2.29 (180deg=1.99) USER MOD Single : A 109 SER OG : rot -31:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.124 -0.764 10.494 1.00 0.00 N ATOM 115 CA THR A 9 2.093 -0.735 9.443 1.00 0.00 C ATOM 116 C THR A 9 0.681 -0.776 10.049 1.00 0.00 C ATOM 117 O THR A 9 0.522 -1.005 11.250 1.00 0.00 O ATOM 118 CB THR A 9 2.344 -1.856 8.413 1.00 0.00 C ATOM 119 OG1 THR A 9 1.537 -1.684 7.271 1.00 0.00 O ATOM 120 CG2 THR A 9 2.091 -3.267 8.940 1.00 0.00 C ATOM 0 HA THR A 9 2.161 0.210 8.904 1.00 0.00 H new ATOM 0 HB THR A 9 3.404 -1.768 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.434 -0.727 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.292 -3.992 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.748 -3.462 9.787 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.052 -3.356 9.258 1.00 0.00 H new ATOM 128 N ILE A 10 -0.348 -0.559 9.230 1.00 0.00 N ATOM 129 CA ILE A 10 -1.775 -0.621 9.596 1.00 0.00 C ATOM 130 C ILE A 10 -2.571 -1.391 8.536 1.00 0.00 C ATOM 131 O ILE A 10 -2.243 -1.331 7.350 1.00 0.00 O ATOM 132 CB ILE A 10 -2.365 0.797 9.820 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.248 1.697 8.565 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.718 1.453 11.054 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.864 3.094 8.705 1.00 0.00 C ATOM 0 H ILE A 10 -0.210 -0.324 8.247 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.856 -1.159 10.540 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.433 0.683 10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.193 1.806 8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.726 1.189 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.140 2.447 11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.913 0.842 11.935 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.642 1.535 10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.731 3.645 7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.928 3.002 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.372 3.629 9.517 1.00 0.00 H new ATOM 147 N LYS A 11 -3.645 -2.082 8.933 1.00 0.00 N ATOM 148 CA LYS A 11 -4.624 -2.647 7.989 1.00 0.00 C ATOM 149 C LYS A 11 -5.776 -1.664 7.755 1.00 0.00 C ATOM 150 O LYS A 11 -6.260 -1.047 8.705 1.00 0.00 O ATOM 151 CB LYS A 11 -5.107 -4.025 8.471 1.00 0.00 C ATOM 152 CG LYS A 11 -5.926 -4.727 7.375 1.00 0.00 C ATOM 153 CD LYS A 11 -6.434 -6.102 7.824 1.00 0.00 C ATOM 154 CE LYS A 11 -7.148 -6.842 6.681 1.00 0.00 C ATOM 155 NZ LYS A 11 -8.376 -6.146 6.210 1.00 0.00 N ATOM 0 H LYS A 11 -3.862 -2.267 9.912 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.141 -2.802 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.250 -4.642 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.715 -3.910 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.774 -4.100 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.312 -4.842 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.596 -6.702 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.118 -5.981 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.459 -6.956 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.412 -7.845 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.830 -6.710 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.036 -6.029 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.122 -5.211 5.831 1.00 0.00 H new ATOM 169 N VAL A 12 -6.233 -1.551 6.507 1.00 0.00 N ATOM 170 CA VAL A 12 -7.419 -0.763 6.113 1.00 0.00 C ATOM 171 C VAL A 12 -8.541 -1.653 5.555 1.00 0.00 C ATOM 172 O VAL A 12 -8.323 -2.829 5.249 1.00 0.00 O ATOM 173 CB VAL A 12 -7.042 0.410 5.177 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.091 1.377 5.894 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.383 -0.022 3.862 1.00 0.00 C ATOM 0 H VAL A 12 -5.783 -2.013 5.717 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.826 -0.307 7.015 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.988 0.890 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.834 2.198 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.579 1.774 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.184 0.847 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.151 0.860 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.464 -0.567 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.065 -0.666 3.308 1.00 0.00 H new ATOM 185 N THR A 13 -9.759 -1.109 5.474 1.00 0.00 N ATOM 186 CA THR A 13 -10.980 -1.775 4.971 1.00 0.00 C ATOM 187 C THR A 13 -11.811 -0.810 4.120 1.00 0.00 C ATOM 188 O THR A 13 -11.695 0.407 4.278 1.00 0.00 O ATOM 189 CB THR A 13 -11.865 -2.295 6.123 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.369 -1.217 6.884 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.136 -3.233 7.085 1.00 0.00 C ATOM 0 H THR A 13 -9.936 -0.149 5.769 1.00 0.00 H new ATOM 0 HA THR A 13 -10.650 -2.620 4.367 1.00 0.00 H new ATOM 0 HB THR A 13 -12.664 -2.855 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.930 -1.563 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.822 -3.557 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.772 -4.103 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.293 -2.709 7.536 1.00 0.00 H new ATOM 199 N ASP A 14 -12.703 -1.314 3.259 1.00 0.00 N ATOM 200 CA ASP A 14 -13.556 -0.468 2.399 1.00 0.00 C ATOM 201 C ASP A 14 -14.451 0.513 3.191 1.00 0.00 C ATOM 202 O ASP A 14 -14.777 1.597 2.703 1.00 0.00 O ATOM 203 CB ASP A 14 -14.428 -1.363 1.503 1.00 0.00 C ATOM 204 CG ASP A 14 -15.055 -0.562 0.350 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.296 -0.094 -0.530 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.300 -0.415 0.318 1.00 0.00 O ATOM 0 H ASP A 14 -12.858 -2.315 3.135 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.886 0.145 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.823 -2.174 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.216 -1.821 2.101 1.00 0.00 H new ATOM 211 N ALA A 15 -14.813 0.157 4.429 1.00 0.00 N ATOM 212 CA ALA A 15 -15.652 0.966 5.317 1.00 0.00 C ATOM 213 C ALA A 15 -14.901 2.117 6.027 1.00 0.00 C ATOM 214 O ALA A 15 -15.546 3.057 6.502 1.00 0.00 O ATOM 215 CB ALA A 15 -16.306 0.018 6.330 1.00 0.00 C ATOM 0 H ALA A 15 -14.522 -0.725 4.851 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.401 1.472 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.939 0.590 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.912 -0.717 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.532 -0.494 6.902 1.00 0.00 H new ATOM 221 N SER A 16 -13.563 2.066 6.088 1.00 0.00 N ATOM 222 CA SER A 16 -12.719 2.999 6.862 1.00 0.00 C ATOM 223 C SER A 16 -11.577 3.630 6.051 1.00 0.00 C ATOM 224 O SER A 16 -10.884 4.512 6.556 1.00 0.00 O ATOM 225 CB SER A 16 -12.152 2.290 8.100 1.00 0.00 C ATOM 226 OG SER A 16 -13.199 1.827 8.945 1.00 0.00 O ATOM 0 H SER A 16 -13.021 1.360 5.590 1.00 0.00 H new ATOM 0 HA SER A 16 -13.371 3.821 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.531 1.449 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.509 2.974 8.653 1.00 0.00 H new ATOM 0 HG SER A 16 -12.814 1.377 9.726 1.00 0.00 H new ATOM 232 N PHE A 17 -11.395 3.241 4.784 1.00 0.00 N ATOM 233 CA PHE A 17 -10.319 3.705 3.899 1.00 0.00 C ATOM 234 C PHE A 17 -10.253 5.236 3.805 1.00 0.00 C ATOM 235 O PHE A 17 -9.173 5.821 3.858 1.00 0.00 O ATOM 236 CB PHE A 17 -10.530 3.093 2.506 1.00 0.00 C ATOM 237 CG PHE A 17 -9.311 3.137 1.609 1.00 0.00 C ATOM 238 CD1 PHE A 17 -8.980 4.312 0.907 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.521 1.983 1.452 1.00 0.00 C ATOM 240 CE1 PHE A 17 -7.871 4.327 0.043 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.424 1.994 0.576 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.100 3.165 -0.130 1.00 0.00 C ATOM 0 H PHE A 17 -12.015 2.570 4.330 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.367 3.380 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.842 2.055 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.348 3.618 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.578 5.202 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.759 1.087 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.612 5.231 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.829 1.102 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.258 3.172 -0.806 1.00 0.00 H new ATOM 252 N ALA A 18 -11.405 5.906 3.717 1.00 0.00 N ATOM 253 CA ALA A 18 -11.450 7.364 3.650 1.00 0.00 C ATOM 254 C ALA A 18 -10.976 8.044 4.950 1.00 0.00 C ATOM 255 O ALA A 18 -10.347 9.102 4.898 1.00 0.00 O ATOM 256 CB ALA A 18 -12.860 7.797 3.243 1.00 0.00 C ATOM 0 H ALA A 18 -12.321 5.457 3.691 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.741 7.698 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.905 8.885 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.103 7.375 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.578 7.440 3.981 1.00 0.00 H new ATOM 262 N THR A 19 -11.220 7.429 6.110 1.00 0.00 N ATOM 263 CA THR A 19 -10.755 7.913 7.424 1.00 0.00 C ATOM 264 C THR A 19 -9.283 7.572 7.694 1.00 0.00 C ATOM 265 O THR A 19 -8.590 8.326 8.377 1.00 0.00 O ATOM 266 CB THR A 19 -11.636 7.328 8.546 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.010 7.424 8.219 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.452 8.033 9.891 1.00 0.00 C ATOM 0 H THR A 19 -11.756 6.563 6.169 1.00 0.00 H new ATOM 0 HA THR A 19 -10.840 9.000 7.409 1.00 0.00 H new ATOM 0 HB THR A 19 -11.317 6.290 8.637 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.547 7.045 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.101 7.572 10.635 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.413 7.943 10.210 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.710 9.087 9.788 1.00 0.00 H new ATOM 276 N ASP A 20 -8.780 6.455 7.156 1.00 0.00 N ATOM 277 CA ASP A 20 -7.420 5.963 7.427 1.00 0.00 C ATOM 278 C ASP A 20 -6.371 6.431 6.405 1.00 0.00 C ATOM 279 O ASP A 20 -5.208 6.632 6.760 1.00 0.00 O ATOM 280 CB ASP A 20 -7.427 4.427 7.497 1.00 0.00 C ATOM 281 CG ASP A 20 -8.212 3.850 8.689 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.195 4.449 9.792 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.803 2.755 8.537 1.00 0.00 O ATOM 0 H ASP A 20 -9.307 5.861 6.516 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.126 6.392 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.852 4.035 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.397 4.073 7.549 1.00 0.00 H new ATOM 288 N VAL A 21 -6.772 6.595 5.140 1.00 0.00 N ATOM 289 CA VAL A 21 -5.898 6.947 4.010 1.00 0.00 C ATOM 290 C VAL A 21 -6.199 8.361 3.514 1.00 0.00 C ATOM 291 O VAL A 21 -5.327 9.229 3.521 1.00 0.00 O ATOM 292 CB VAL A 21 -6.043 5.918 2.866 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.016 6.151 1.758 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.871 4.475 3.352 1.00 0.00 C ATOM 0 H VAL A 21 -7.747 6.483 4.862 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.865 6.924 4.356 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.054 6.060 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.152 5.407 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.152 7.148 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.011 6.064 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.982 3.792 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.880 4.354 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.629 4.251 4.103 1.00 0.00 H new ATOM 304 N LEU A 22 -7.447 8.623 3.116 1.00 0.00 N ATOM 305 CA LEU A 22 -7.818 9.875 2.437 1.00 0.00 C ATOM 306 C LEU A 22 -7.930 11.084 3.388 1.00 0.00 C ATOM 307 O LEU A 22 -7.956 12.225 2.922 1.00 0.00 O ATOM 308 CB LEU A 22 -9.081 9.680 1.578 1.00 0.00 C ATOM 309 CG LEU A 22 -9.064 8.444 0.652 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.386 8.348 -0.111 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.930 8.461 -0.369 1.00 0.00 C ATOM 0 H LEU A 22 -8.227 7.980 3.253 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.994 10.124 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.943 9.605 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.225 10.570 0.966 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.912 7.584 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.368 7.474 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.209 8.255 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.525 9.246 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.981 7.563 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.025 9.342 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.973 8.491 0.151 1.00 0.00 H new ATOM 323 N SER A 23 -7.959 10.859 4.707 1.00 0.00 N ATOM 324 CA SER A 23 -7.979 11.931 5.718 1.00 0.00 C ATOM 325 C SER A 23 -6.584 12.490 6.052 1.00 0.00 C ATOM 326 O SER A 23 -6.481 13.538 6.695 1.00 0.00 O ATOM 327 CB SER A 23 -8.675 11.454 6.993 1.00 0.00 C ATOM 328 OG SER A 23 -10.053 11.249 6.732 1.00 0.00 O ATOM 0 H SER A 23 -7.969 9.922 5.109 1.00 0.00 H new ATOM 0 HA SER A 23 -8.543 12.752 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.219 10.528 7.344 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.550 12.192 7.786 1.00 0.00 H new ATOM 0 HG SER A 23 -10.158 10.531 6.073 1.00 0.00 H new ATOM 334 N SER A 24 -5.503 11.818 5.638 1.00 0.00 N ATOM 335 CA SER A 24 -4.123 12.151 5.987 1.00 0.00 C ATOM 336 C SER A 24 -3.543 13.268 5.115 1.00 0.00 C ATOM 337 O SER A 24 -3.573 13.193 3.885 1.00 0.00 O ATOM 338 CB SER A 24 -3.272 10.886 5.854 1.00 0.00 C ATOM 339 OG SER A 24 -3.686 9.925 6.812 1.00 0.00 O ATOM 0 H SER A 24 -5.571 11.001 5.031 1.00 0.00 H new ATOM 0 HA SER A 24 -4.113 12.523 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.369 10.476 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.219 11.128 6.000 1.00 0.00 H new ATOM 0 HG SER A 24 -3.139 9.117 6.722 1.00 0.00 H new ATOM 345 N ASN A 25 -2.945 14.282 5.752 1.00 0.00 N ATOM 346 CA ASN A 25 -2.192 15.338 5.059 1.00 0.00 C ATOM 347 C ASN A 25 -0.769 14.883 4.668 1.00 0.00 C ATOM 348 O ASN A 25 -0.192 15.398 3.707 1.00 0.00 O ATOM 349 CB ASN A 25 -2.171 16.609 5.925 1.00 0.00 C ATOM 350 CG ASN A 25 -3.559 17.114 6.294 1.00 0.00 C ATOM 351 OD1 ASN A 25 -3.954 17.112 7.452 1.00 0.00 O ATOM 352 ND2 ASN A 25 -4.346 17.559 5.341 1.00 0.00 N ATOM 0 H ASN A 25 -2.969 14.395 6.765 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.700 15.562 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.611 16.408 6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.637 17.395 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.280 17.900 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.023 17.564 4.373 1.00 0.00 H new ATOM 359 N LYS A 26 -0.224 13.879 5.370 1.00 0.00 N ATOM 360 CA LYS A 26 1.043 13.198 5.039 1.00 0.00 C ATOM 361 C LYS A 26 0.827 12.271 3.826 1.00 0.00 C ATOM 362 O LYS A 26 -0.238 11.648 3.754 1.00 0.00 O ATOM 363 CB LYS A 26 1.507 12.388 6.273 1.00 0.00 C ATOM 364 CG LYS A 26 2.956 11.867 6.186 1.00 0.00 C ATOM 365 CD LYS A 26 3.197 10.592 7.005 1.00 0.00 C ATOM 366 CE LYS A 26 2.950 10.724 8.512 1.00 0.00 C ATOM 367 NZ LYS A 26 3.022 9.394 9.174 1.00 0.00 N ATOM 0 H LYS A 26 -0.664 13.504 6.211 1.00 0.00 H new ATOM 0 HA LYS A 26 1.811 13.927 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.412 13.014 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.836 11.539 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.201 11.671 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.635 12.646 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.553 9.803 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.226 10.269 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.690 11.394 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.971 11.171 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.769 9.492 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.359 8.740 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.989 9.019 9.096 1.00 0.00 H new ATOM 381 N PRO A 27 1.791 12.119 2.894 1.00 0.00 N ATOM 382 CA PRO A 27 1.741 11.046 1.901 1.00 0.00 C ATOM 383 C PRO A 27 1.569 9.662 2.549 1.00 0.00 C ATOM 384 O PRO A 27 2.163 9.358 3.588 1.00 0.00 O ATOM 385 CB PRO A 27 3.026 11.152 1.072 1.00 0.00 C ATOM 386 CG PRO A 27 3.961 11.979 1.956 1.00 0.00 C ATOM 387 CD PRO A 27 3.011 12.896 2.721 1.00 0.00 C ATOM 0 HA PRO A 27 0.868 11.158 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.445 10.169 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.845 11.640 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.539 11.347 2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.676 12.548 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.433 13.187 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.818 13.815 2.167 1.00 0.00 H new ATOM 395 N VAL A 28 0.730 8.826 1.936 1.00 0.00 N ATOM 396 CA VAL A 28 0.320 7.517 2.449 1.00 0.00 C ATOM 397 C VAL A 28 0.339 6.479 1.330 1.00 0.00 C ATOM 398 O VAL A 28 -0.168 6.711 0.233 1.00 0.00 O ATOM 399 CB VAL A 28 -1.033 7.602 3.186 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.152 8.207 2.336 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.507 6.239 3.710 1.00 0.00 C ATOM 0 H VAL A 28 0.302 9.049 1.037 1.00 0.00 H new ATOM 0 HA VAL A 28 1.041 7.185 3.196 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.835 8.267 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.074 8.236 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.877 9.219 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.303 7.597 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.463 6.358 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.624 5.549 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.770 5.842 4.408 1.00 0.00 H new ATOM 411 N LEU A 29 0.945 5.333 1.618 1.00 0.00 N ATOM 412 CA LEU A 29 1.174 4.219 0.705 1.00 0.00 C ATOM 413 C LEU A 29 0.316 3.033 1.162 1.00 0.00 C ATOM 414 O LEU A 29 0.408 2.619 2.318 1.00 0.00 O ATOM 415 CB LEU A 29 2.681 3.906 0.759 1.00 0.00 C ATOM 416 CG LEU A 29 3.276 3.096 -0.406 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.642 2.588 0.053 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.473 1.883 -0.872 1.00 0.00 C ATOM 0 H LEU A 29 1.312 5.145 2.551 1.00 0.00 H new ATOM 0 HA LEU A 29 0.893 4.447 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.220 4.851 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.880 3.363 1.683 1.00 0.00 H new ATOM 0 HG LEU A 29 3.297 3.775 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.101 2.006 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.282 3.436 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.519 1.959 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.995 1.396 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.363 1.180 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.487 2.206 -1.207 1.00 0.00 H new ATOM 430 N VAL A 30 -0.498 2.472 0.269 1.00 0.00 N ATOM 431 CA VAL A 30 -1.333 1.295 0.541 1.00 0.00 C ATOM 432 C VAL A 30 -0.964 0.145 -0.400 1.00 0.00 C ATOM 433 O VAL A 30 -0.989 0.294 -1.623 1.00 0.00 O ATOM 434 CB VAL A 30 -2.833 1.630 0.463 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.644 0.494 1.102 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.216 2.943 1.158 1.00 0.00 C ATOM 0 H VAL A 30 -0.600 2.826 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.135 0.973 1.563 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.060 1.747 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.707 0.730 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.451 -0.436 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.351 0.380 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.289 3.108 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.954 2.885 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.678 3.770 0.695 1.00 0.00 H new ATOM 446 N ASP A 31 -0.626 -1.009 0.176 1.00 0.00 N ATOM 447 CA ASP A 31 -0.249 -2.241 -0.522 1.00 0.00 C ATOM 448 C ASP A 31 -1.421 -3.240 -0.559 1.00 0.00 C ATOM 449 O ASP A 31 -1.843 -3.757 0.479 1.00 0.00 O ATOM 450 CB ASP A 31 0.989 -2.827 0.176 1.00 0.00 C ATOM 451 CG ASP A 31 1.454 -4.171 -0.411 1.00 0.00 C ATOM 452 OD1 ASP A 31 1.313 -4.379 -1.637 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.989 -4.999 0.362 1.00 0.00 O ATOM 0 H ASP A 31 -0.606 -1.116 1.190 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.005 -2.024 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.807 -2.109 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.769 -2.960 1.235 1.00 0.00 H new ATOM 458 N PHE A 32 -1.949 -3.507 -1.755 1.00 0.00 N ATOM 459 CA PHE A 32 -3.018 -4.469 -2.020 1.00 0.00 C ATOM 460 C PHE A 32 -2.388 -5.817 -2.382 1.00 0.00 C ATOM 461 O PHE A 32 -1.719 -5.957 -3.411 1.00 0.00 O ATOM 462 CB PHE A 32 -3.971 -3.954 -3.112 1.00 0.00 C ATOM 463 CG PHE A 32 -4.823 -2.757 -2.716 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.236 -1.505 -2.441 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.223 -2.888 -2.648 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.041 -0.407 -2.093 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.025 -1.774 -2.339 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.435 -0.528 -2.072 1.00 0.00 C ATOM 0 H PHE A 32 -1.628 -3.037 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.629 -4.600 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.382 -3.686 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.632 -4.768 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.164 -1.389 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.683 -3.847 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.581 0.537 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.100 -1.878 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.052 0.330 -1.852 1.00 0.00 H new ATOM 478 N TRP A 33 -2.571 -6.799 -1.499 1.00 0.00 N ATOM 479 CA TRP A 33 -1.830 -8.064 -1.490 1.00 0.00 C ATOM 480 C TRP A 33 -2.723 -9.250 -1.082 1.00 0.00 C ATOM 481 O TRP A 33 -3.854 -9.048 -0.637 1.00 0.00 O ATOM 482 CB TRP A 33 -0.634 -7.911 -0.532 1.00 0.00 C ATOM 483 CG TRP A 33 -0.965 -8.061 0.924 1.00 0.00 C ATOM 484 CD1 TRP A 33 -1.662 -7.176 1.671 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.677 -9.189 1.808 1.00 0.00 C ATOM 486 NE1 TRP A 33 -1.864 -7.691 2.937 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.280 -8.931 3.077 1.00 0.00 C ATOM 488 CE3 TRP A 33 0.017 -10.411 1.665 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.212 -9.841 4.141 1.00 0.00 C ATOM 490 CZ3 TRP A 33 0.093 -11.333 2.727 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.525 -11.052 3.958 1.00 0.00 C ATOM 0 H TRP A 33 -3.258 -6.736 -0.748 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.477 -8.283 -2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.121 -8.652 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.186 -6.930 -0.688 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.009 -6.212 1.330 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.381 -7.213 3.675 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.497 -10.642 0.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.681 -9.614 5.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.629 -12.261 2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.471 -11.769 4.764 1.00 0.00 H new ATOM 502 N ALA A 34 -2.218 -10.483 -1.191 1.00 0.00 N ATOM 503 CA ALA A 34 -2.868 -11.682 -0.655 1.00 0.00 C ATOM 504 C ALA A 34 -1.867 -12.706 -0.097 1.00 0.00 C ATOM 505 O ALA A 34 -0.753 -12.850 -0.606 1.00 0.00 O ATOM 506 CB ALA A 34 -3.712 -12.334 -1.755 1.00 0.00 C ATOM 0 H ALA A 34 -1.334 -10.678 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.497 -11.366 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.197 -13.227 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.470 -11.630 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.070 -12.610 -2.591 1.00 0.00 H new ATOM 512 N THR A 35 -2.303 -13.489 0.893 1.00 0.00 N ATOM 513 CA THR A 35 -1.554 -14.632 1.449 1.00 0.00 C ATOM 514 C THR A 35 -1.360 -15.774 0.445 1.00 0.00 C ATOM 515 O THR A 35 -0.389 -16.526 0.548 1.00 0.00 O ATOM 516 CB THR A 35 -2.274 -15.205 2.682 1.00 0.00 C ATOM 517 OG1 THR A 35 -3.633 -15.453 2.382 1.00 0.00 O ATOM 518 CG2 THR A 35 -2.217 -14.249 3.873 1.00 0.00 C ATOM 0 H THR A 35 -3.207 -13.347 1.344 1.00 0.00 H new ATOM 0 HA THR A 35 -0.574 -14.236 1.715 1.00 0.00 H new ATOM 0 HB THR A 35 -1.761 -16.130 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.081 -15.819 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.737 -14.693 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.177 -14.064 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.696 -13.307 3.607 1.00 0.00 H new ATOM 526 N TRP A 36 -2.248 -15.895 -0.547 1.00 0.00 N ATOM 527 CA TRP A 36 -2.251 -16.953 -1.564 1.00 0.00 C ATOM 528 C TRP A 36 -1.413 -16.647 -2.824 1.00 0.00 C ATOM 529 O TRP A 36 -1.420 -17.442 -3.766 1.00 0.00 O ATOM 530 CB TRP A 36 -3.710 -17.341 -1.873 1.00 0.00 C ATOM 531 CG TRP A 36 -4.704 -16.241 -2.142 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.704 -15.886 -1.301 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.862 -15.373 -3.314 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.502 -14.929 -1.887 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.011 -14.543 -3.112 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.161 -15.193 -4.528 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.432 -13.588 -4.046 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.556 -14.215 -5.462 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.691 -13.417 -5.227 1.00 0.00 C ATOM 0 H TRP A 36 -3.014 -15.233 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.732 -17.815 -1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.701 -18.000 -2.741 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.083 -17.927 -1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.854 -16.295 -0.313 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.351 -14.553 -1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.306 -15.817 -4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.313 -12.992 -3.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.982 -14.076 -6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.991 -12.675 -5.952 1.00 0.00 H new ATOM 550 N CYS A 37 -0.688 -15.522 -2.864 1.00 0.00 N ATOM 551 CA CYS A 37 0.039 -15.047 -4.049 1.00 0.00 C ATOM 552 C CYS A 37 1.551 -14.859 -3.793 1.00 0.00 C ATOM 553 O CYS A 37 1.965 -14.148 -2.875 1.00 0.00 O ATOM 554 CB CYS A 37 -0.667 -13.774 -4.529 1.00 0.00 C ATOM 555 SG CYS A 37 0.085 -13.163 -6.061 1.00 0.00 S ATOM 0 H CYS A 37 -0.588 -14.904 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 37 0.011 -15.799 -4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.725 -13.979 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.608 -13.006 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.518 -12.074 -6.436 1.00 0.00 H new ATOM 561 N GLY A 38 2.393 -15.466 -4.638 1.00 0.00 N ATOM 562 CA GLY A 38 3.860 -15.424 -4.527 1.00 0.00 C ATOM 563 C GLY A 38 4.479 -14.020 -4.651 1.00 0.00 C ATOM 564 O GLY A 38 5.176 -13.598 -3.729 1.00 0.00 O ATOM 0 H GLY A 38 2.069 -16.012 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.150 -15.849 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.287 -16.063 -5.300 1.00 0.00 H new ATOM 568 N PRO A 39 4.208 -13.231 -5.710 1.00 0.00 N ATOM 569 CA PRO A 39 4.700 -11.853 -5.782 1.00 0.00 C ATOM 570 C PRO A 39 4.123 -10.941 -4.680 1.00 0.00 C ATOM 571 O PRO A 39 4.792 -9.992 -4.273 1.00 0.00 O ATOM 572 CB PRO A 39 4.411 -11.382 -7.212 1.00 0.00 C ATOM 573 CG PRO A 39 3.287 -12.297 -7.689 1.00 0.00 C ATOM 574 CD PRO A 39 3.572 -13.610 -6.963 1.00 0.00 C ATOM 0 HA PRO A 39 5.770 -11.803 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.108 -10.335 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.293 -11.471 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.306 -11.898 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.303 -12.424 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.652 -14.167 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.223 -14.253 -7.555 1.00 0.00 H new ATOM 582 N CYS A 40 2.953 -11.256 -4.102 1.00 0.00 N ATOM 583 CA CYS A 40 2.486 -10.594 -2.873 1.00 0.00 C ATOM 584 C CYS A 40 3.400 -10.914 -1.673 1.00 0.00 C ATOM 585 O CYS A 40 3.837 -9.993 -0.980 1.00 0.00 O ATOM 586 CB CYS A 40 1.031 -10.972 -2.573 1.00 0.00 C ATOM 587 SG CYS A 40 -0.091 -10.289 -3.827 1.00 0.00 S ATOM 0 H CYS A 40 2.314 -11.963 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 40 2.533 -9.518 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.932 -12.057 -2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.751 -10.600 -1.588 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.224 -11.141 -4.800 1.00 0.00 H new ATOM 593 N LYS A 41 3.766 -12.190 -1.470 1.00 0.00 N ATOM 594 CA LYS A 41 4.769 -12.610 -0.466 1.00 0.00 C ATOM 595 C LYS A 41 6.148 -11.970 -0.693 1.00 0.00 C ATOM 596 O LYS A 41 6.865 -11.736 0.278 1.00 0.00 O ATOM 597 CB LYS A 41 4.917 -14.145 -0.457 1.00 0.00 C ATOM 598 CG LYS A 41 3.686 -14.922 0.031 1.00 0.00 C ATOM 599 CD LYS A 41 3.551 -14.914 1.558 1.00 0.00 C ATOM 600 CE LYS A 41 2.432 -15.879 1.954 1.00 0.00 C ATOM 601 NZ LYS A 41 2.342 -16.046 3.430 1.00 0.00 N ATOM 0 H LYS A 41 3.374 -12.968 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 41 4.398 -12.263 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.157 -14.476 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.765 -14.408 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.789 -14.489 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.749 -15.952 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.491 -15.213 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.326 -13.908 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.481 -15.509 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.607 -16.849 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.572 -16.707 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.241 -16.423 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.150 -15.125 3.873 1.00 0.00 H new ATOM 615 N MET A 42 6.517 -11.659 -1.940 1.00 0.00 N ATOM 616 CA MET A 42 7.783 -10.978 -2.272 1.00 0.00 C ATOM 617 C MET A 42 7.790 -9.478 -1.918 1.00 0.00 C ATOM 618 O MET A 42 8.813 -8.977 -1.446 1.00 0.00 O ATOM 619 CB MET A 42 8.117 -11.156 -3.762 1.00 0.00 C ATOM 620 CG MET A 42 8.413 -12.611 -4.137 1.00 0.00 C ATOM 621 SD MET A 42 8.587 -12.880 -5.922 1.00 0.00 S ATOM 622 CE MET A 42 8.735 -14.688 -5.934 1.00 0.00 C ATOM 0 H MET A 42 5.945 -11.872 -2.757 1.00 0.00 H new ATOM 0 HA MET A 42 8.546 -11.453 -1.655 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.282 -10.794 -4.362 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.980 -10.539 -4.012 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.330 -12.926 -3.639 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.611 -13.245 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.851 -15.037 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.605 -14.986 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.838 -15.129 -5.500 1.00 0.00 H new ATOM 632 N VAL A 43 6.682 -8.751 -2.124 1.00 0.00 N ATOM 633 CA VAL A 43 6.619 -7.285 -1.912 1.00 0.00 C ATOM 634 C VAL A 43 6.187 -6.875 -0.497 1.00 0.00 C ATOM 635 O VAL A 43 6.664 -5.861 0.015 1.00 0.00 O ATOM 636 CB VAL A 43 5.781 -6.617 -3.020 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.275 -6.835 -2.864 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.047 -5.113 -3.124 1.00 0.00 C ATOM 0 H VAL A 43 5.802 -9.156 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 43 7.639 -6.909 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 43 6.106 -7.111 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.749 -6.337 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.057 -7.903 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.944 -6.421 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.433 -4.689 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.798 -4.633 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.100 -4.945 -3.350 1.00 0.00 H new ATOM 648 N ALA A 44 5.374 -7.686 0.190 1.00 0.00 N ATOM 649 CA ALA A 44 4.964 -7.449 1.578 1.00 0.00 C ATOM 650 C ALA A 44 6.131 -7.168 2.560 1.00 0.00 C ATOM 651 O ALA A 44 6.035 -6.182 3.293 1.00 0.00 O ATOM 652 CB ALA A 44 4.084 -8.621 2.040 1.00 0.00 C ATOM 0 H ALA A 44 4.977 -8.537 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 44 4.391 -6.522 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.772 -8.457 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.204 -8.689 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.651 -9.549 1.976 1.00 0.00 H new ATOM 658 N PRO A 45 7.253 -7.924 2.583 1.00 0.00 N ATOM 659 CA PRO A 45 8.383 -7.625 3.469 1.00 0.00 C ATOM 660 C PRO A 45 9.154 -6.351 3.083 1.00 0.00 C ATOM 661 O PRO A 45 9.735 -5.714 3.963 1.00 0.00 O ATOM 662 CB PRO A 45 9.279 -8.867 3.436 1.00 0.00 C ATOM 663 CG PRO A 45 8.992 -9.470 2.065 1.00 0.00 C ATOM 664 CD PRO A 45 7.507 -9.177 1.882 1.00 0.00 C ATOM 0 HA PRO A 45 8.021 -7.411 4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.331 -8.607 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.034 -9.561 4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.596 -9.009 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.201 -10.539 2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.254 -9.091 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.897 -9.983 2.291 1.00 0.00 H new ATOM 672 N VAL A 46 9.140 -5.932 1.807 1.00 0.00 N ATOM 673 CA VAL A 46 9.772 -4.666 1.381 1.00 0.00 C ATOM 674 C VAL A 46 8.964 -3.500 1.949 1.00 0.00 C ATOM 675 O VAL A 46 9.511 -2.582 2.561 1.00 0.00 O ATOM 676 CB VAL A 46 9.902 -4.597 -0.161 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.233 -3.191 -0.656 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.987 -5.569 -0.635 1.00 0.00 C ATOM 0 H VAL A 46 8.697 -6.451 1.049 1.00 0.00 H new ATOM 0 HA VAL A 46 10.788 -4.609 1.772 1.00 0.00 H new ATOM 0 HB VAL A 46 8.934 -4.875 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.313 -3.197 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.443 -2.504 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.180 -2.867 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.074 -5.516 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.941 -5.299 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.720 -6.584 -0.341 1.00 0.00 H new ATOM 688 N LEU A 47 7.642 -3.589 1.825 1.00 0.00 N ATOM 689 CA LEU A 47 6.685 -2.617 2.345 1.00 0.00 C ATOM 690 C LEU A 47 6.652 -2.593 3.878 1.00 0.00 C ATOM 691 O LEU A 47 6.451 -1.532 4.459 1.00 0.00 O ATOM 692 CB LEU A 47 5.312 -2.965 1.744 1.00 0.00 C ATOM 693 CG LEU A 47 5.054 -2.349 0.357 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.570 -0.908 0.532 1.00 0.00 C ATOM 695 CD2 LEU A 47 6.255 -2.307 -0.592 1.00 0.00 C ATOM 0 H LEU A 47 7.192 -4.367 1.343 1.00 0.00 H new ATOM 0 HA LEU A 47 6.982 -1.609 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.225 -4.049 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.533 -2.629 2.429 1.00 0.00 H new ATOM 0 HG LEU A 47 4.317 -3.009 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.385 -0.465 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.648 -0.902 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.332 -0.329 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.956 -1.853 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.053 -1.717 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.611 -3.321 -0.773 1.00 0.00 H new ATOM 707 N GLU A 48 6.896 -3.719 4.548 1.00 0.00 N ATOM 708 CA GLU A 48 6.994 -3.781 6.011 1.00 0.00 C ATOM 709 C GLU A 48 8.302 -3.171 6.552 1.00 0.00 C ATOM 710 O GLU A 48 8.277 -2.457 7.558 1.00 0.00 O ATOM 711 CB GLU A 48 6.764 -5.226 6.472 1.00 0.00 C ATOM 712 CG GLU A 48 6.317 -5.275 7.935 1.00 0.00 C ATOM 713 CD GLU A 48 5.836 -6.682 8.328 1.00 0.00 C ATOM 714 OE1 GLU A 48 4.802 -7.133 7.776 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.463 -7.322 9.207 1.00 0.00 O ATOM 0 H GLU A 48 7.032 -4.621 4.091 1.00 0.00 H new ATOM 0 HA GLU A 48 6.210 -3.156 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.009 -5.696 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.682 -5.800 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.144 -4.978 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.514 -4.556 8.096 1.00 0.00 H new ATOM 722 N GLU A 49 9.435 -3.344 5.856 1.00 0.00 N ATOM 723 CA GLU A 49 10.649 -2.555 6.127 1.00 0.00 C ATOM 724 C GLU A 49 10.388 -1.056 5.940 1.00 0.00 C ATOM 725 O GLU A 49 10.745 -0.259 6.803 1.00 0.00 O ATOM 726 CB GLU A 49 11.810 -2.965 5.210 1.00 0.00 C ATOM 727 CG GLU A 49 12.532 -4.236 5.669 1.00 0.00 C ATOM 728 CD GLU A 49 13.781 -4.520 4.807 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.515 -3.562 4.454 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.050 -5.706 4.496 1.00 0.00 O ATOM 0 H GLU A 49 9.538 -4.022 5.101 1.00 0.00 H new ATOM 0 HA GLU A 49 10.922 -2.756 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.429 -3.118 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.528 -2.147 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.826 -4.132 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.849 -5.084 5.613 1.00 0.00 H new ATOM 737 N ILE A 50 9.712 -0.660 4.858 1.00 0.00 N ATOM 738 CA ILE A 50 9.343 0.743 4.612 1.00 0.00 C ATOM 739 C ILE A 50 8.395 1.256 5.715 1.00 0.00 C ATOM 740 O ILE A 50 8.600 2.351 6.231 1.00 0.00 O ATOM 741 CB ILE A 50 8.787 0.875 3.175 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.928 0.657 2.150 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.124 2.238 2.914 1.00 0.00 C ATOM 744 CD1 ILE A 50 9.431 0.232 0.765 1.00 0.00 C ATOM 0 H ILE A 50 9.404 -1.300 4.126 1.00 0.00 H new ATOM 0 HA ILE A 50 10.218 1.391 4.669 1.00 0.00 H new ATOM 0 HB ILE A 50 8.018 0.111 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.501 1.579 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.609 -0.103 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.753 2.272 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.293 2.377 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.855 3.033 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.283 0.097 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.883 -0.706 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.773 1.002 0.362 1.00 0.00 H new ATOM 756 N ALA A 51 7.432 0.456 6.180 1.00 0.00 N ATOM 757 CA ALA A 51 6.576 0.799 7.318 1.00 0.00 C ATOM 758 C ALA A 51 7.353 0.945 8.642 1.00 0.00 C ATOM 759 O ALA A 51 6.988 1.767 9.482 1.00 0.00 O ATOM 760 CB ALA A 51 5.486 -0.266 7.458 1.00 0.00 C ATOM 0 H ALA A 51 7.223 -0.456 5.773 1.00 0.00 H new ATOM 0 HA ALA A 51 6.136 1.776 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.843 -0.020 8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.890 -0.299 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.948 -1.239 7.625 1.00 0.00 H new ATOM 766 N THR A 52 8.429 0.176 8.823 1.00 0.00 N ATOM 767 CA THR A 52 9.304 0.258 10.005 1.00 0.00 C ATOM 768 C THR A 52 10.194 1.504 9.961 1.00 0.00 C ATOM 769 O THR A 52 10.293 2.237 10.945 1.00 0.00 O ATOM 770 CB THR A 52 10.180 -1.005 10.111 1.00 0.00 C ATOM 771 OG1 THR A 52 9.385 -2.174 10.143 1.00 0.00 O ATOM 772 CG2 THR A 52 11.049 -1.035 11.368 1.00 0.00 C ATOM 0 H THR A 52 8.724 -0.530 8.149 1.00 0.00 H new ATOM 0 HA THR A 52 8.664 0.330 10.884 1.00 0.00 H new ATOM 0 HB THR A 52 10.819 -0.975 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.975 -2.315 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.640 -1.951 11.380 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.716 -0.173 11.370 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.412 -1.003 12.252 1.00 0.00 H new ATOM 780 N GLU A 53 10.848 1.755 8.826 1.00 0.00 N ATOM 781 CA GLU A 53 11.909 2.764 8.690 1.00 0.00 C ATOM 782 C GLU A 53 11.413 4.157 8.269 1.00 0.00 C ATOM 783 O GLU A 53 12.082 5.153 8.551 1.00 0.00 O ATOM 784 CB GLU A 53 12.968 2.253 7.700 1.00 0.00 C ATOM 785 CG GLU A 53 13.620 0.941 8.166 1.00 0.00 C ATOM 786 CD GLU A 53 14.864 0.617 7.321 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.713 0.304 6.116 1.00 0.00 O ATOM 788 OE2 GLU A 53 15.999 0.672 7.855 1.00 0.00 O ATOM 0 H GLU A 53 10.655 1.256 7.958 1.00 0.00 H new ATOM 0 HA GLU A 53 12.337 2.899 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.506 2.100 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.739 3.013 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.900 1.022 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.901 0.125 8.090 1.00 0.00 H new ATOM 795 N ARG A 54 10.255 4.242 7.595 1.00 0.00 N ATOM 796 CA ARG A 54 9.721 5.470 6.975 1.00 0.00 C ATOM 797 C ARG A 54 8.394 5.952 7.559 1.00 0.00 C ATOM 798 O ARG A 54 7.795 6.844 6.971 1.00 0.00 O ATOM 799 CB ARG A 54 9.677 5.330 5.432 1.00 0.00 C ATOM 800 CG ARG A 54 11.048 5.080 4.782 1.00 0.00 C ATOM 801 CD ARG A 54 11.943 6.314 4.940 1.00 0.00 C ATOM 802 NE ARG A 54 13.296 6.107 4.403 1.00 0.00 N ATOM 803 CZ ARG A 54 14.230 7.037 4.361 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.020 8.265 4.733 1.00 0.00 N ATOM 805 NH2 ARG A 54 15.427 6.764 3.933 1.00 0.00 N ATOM 0 H ARG A 54 9.645 3.436 7.461 1.00 0.00 H new ATOM 0 HA ARG A 54 10.422 6.265 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.009 4.509 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.247 6.237 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.525 4.215 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.920 4.848 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.481 7.160 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.012 6.575 5.996 1.00 0.00 H new ATOM 0 HE ARG A 54 13.528 5.183 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.101 8.544 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.775 8.949 4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.655 5.819 3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.138 7.495 3.907 1.00 0.00 H new ATOM 819 N ALA A 55 7.965 5.467 8.730 1.00 0.00 N ATOM 820 CA ALA A 55 6.744 5.933 9.417 1.00 0.00 C ATOM 821 C ALA A 55 6.647 7.473 9.600 1.00 0.00 C ATOM 822 O ALA A 55 5.547 8.036 9.655 1.00 0.00 O ATOM 823 CB ALA A 55 6.674 5.227 10.777 1.00 0.00 C ATOM 0 H ALA A 55 8.458 4.732 9.237 1.00 0.00 H new ATOM 0 HA ALA A 55 5.896 5.679 8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.780 5.552 11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.634 4.148 10.625 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.558 5.479 11.364 1.00 0.00 H new ATOM 829 N THR A 56 7.787 8.166 9.685 1.00 0.00 N ATOM 830 CA THR A 56 7.896 9.636 9.781 1.00 0.00 C ATOM 831 C THR A 56 7.849 10.364 8.427 1.00 0.00 C ATOM 832 O THR A 56 7.493 11.543 8.386 1.00 0.00 O ATOM 833 CB THR A 56 9.195 10.023 10.508 1.00 0.00 C ATOM 834 OG1 THR A 56 10.293 9.340 9.933 1.00 0.00 O ATOM 835 CG2 THR A 56 9.145 9.651 11.991 1.00 0.00 C ATOM 0 H THR A 56 8.697 7.706 9.689 1.00 0.00 H new ATOM 0 HA THR A 56 7.018 9.957 10.342 1.00 0.00 H new ATOM 0 HB THR A 56 9.307 11.103 10.408 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.117 9.593 10.400 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.080 9.940 12.470 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.316 10.173 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.003 8.575 12.092 1.00 0.00 H new ATOM 843 N ASP A 57 8.161 9.684 7.318 1.00 0.00 N ATOM 844 CA ASP A 57 8.133 10.231 5.949 1.00 0.00 C ATOM 845 C ASP A 57 6.843 9.863 5.191 1.00 0.00 C ATOM 846 O ASP A 57 6.361 10.639 4.366 1.00 0.00 O ATOM 847 CB ASP A 57 9.351 9.715 5.160 1.00 0.00 C ATOM 848 CG ASP A 57 10.708 10.210 5.689 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.841 11.416 6.008 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.661 9.396 5.730 1.00 0.00 O ATOM 0 H ASP A 57 8.450 8.706 7.345 1.00 0.00 H new ATOM 0 HA ASP A 57 8.165 11.317 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.344 8.625 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.249 10.018 4.118 1.00 0.00 H new ATOM 855 N LEU A 58 6.279 8.687 5.486 1.00 0.00 N ATOM 856 CA LEU A 58 5.095 8.074 4.882 1.00 0.00 C ATOM 857 C LEU A 58 4.233 7.415 5.969 1.00 0.00 C ATOM 858 O LEU A 58 4.756 6.873 6.942 1.00 0.00 O ATOM 859 CB LEU A 58 5.522 6.973 3.885 1.00 0.00 C ATOM 860 CG LEU A 58 6.350 7.425 2.672 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.815 6.200 1.886 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.546 8.310 1.721 1.00 0.00 C ATOM 0 H LEU A 58 6.673 8.091 6.214 1.00 0.00 H new ATOM 0 HA LEU A 58 4.530 8.853 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.097 6.225 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.623 6.479 3.518 1.00 0.00 H new ATOM 0 HG LEU A 58 7.194 7.998 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.402 6.521 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.428 5.567 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.947 5.637 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.174 8.604 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.681 7.757 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.209 9.201 2.251 1.00 0.00 H new ATOM 874 N THR A 59 2.917 7.369 5.774 1.00 0.00 N ATOM 875 CA THR A 59 2.066 6.371 6.452 1.00 0.00 C ATOM 876 C THR A 59 1.973 5.151 5.539 1.00 0.00 C ATOM 877 O THR A 59 1.820 5.305 4.329 1.00 0.00 O ATOM 878 CB THR A 59 0.695 6.952 6.822 1.00 0.00 C ATOM 879 OG1 THR A 59 0.887 8.005 7.744 1.00 0.00 O ATOM 880 CG2 THR A 59 -0.222 5.937 7.506 1.00 0.00 C ATOM 0 H THR A 59 2.411 8.004 5.157 1.00 0.00 H new ATOM 0 HA THR A 59 2.507 6.073 7.403 1.00 0.00 H new ATOM 0 HB THR A 59 0.229 7.274 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.019 8.388 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.176 6.409 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.391 5.092 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.246 5.585 8.425 1.00 0.00 H new ATOM 888 N VAL A 60 2.120 3.937 6.075 1.00 0.00 N ATOM 889 CA VAL A 60 2.281 2.718 5.260 1.00 0.00 C ATOM 890 C VAL A 60 1.281 1.656 5.707 1.00 0.00 C ATOM 891 O VAL A 60 1.286 1.241 6.867 1.00 0.00 O ATOM 892 CB VAL A 60 3.732 2.199 5.300 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.934 1.084 4.265 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.753 3.305 4.994 1.00 0.00 C ATOM 0 H VAL A 60 2.132 3.766 7.080 1.00 0.00 H new ATOM 0 HA VAL A 60 2.070 2.964 4.219 1.00 0.00 H new ATOM 0 HB VAL A 60 3.895 1.828 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.964 0.730 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.257 0.258 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.725 1.471 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.761 2.891 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.565 3.708 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.658 4.102 5.732 1.00 0.00 H new ATOM 904 N ALA A 61 0.414 1.226 4.793 1.00 0.00 N ATOM 905 CA ALA A 61 -0.760 0.408 5.074 1.00 0.00 C ATOM 906 C ALA A 61 -0.878 -0.827 4.162 1.00 0.00 C ATOM 907 O ALA A 61 -0.329 -0.867 3.058 1.00 0.00 O ATOM 908 CB ALA A 61 -1.997 1.306 4.953 1.00 0.00 C ATOM 0 H ALA A 61 0.515 1.446 3.802 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.669 0.006 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.893 0.720 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.925 2.123 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.053 1.714 3.944 1.00 0.00 H new ATOM 914 N LYS A 62 -1.655 -1.814 4.614 1.00 0.00 N ATOM 915 CA LYS A 62 -1.988 -3.054 3.901 1.00 0.00 C ATOM 916 C LYS A 62 -3.497 -3.188 3.680 1.00 0.00 C ATOM 917 O LYS A 62 -4.292 -2.922 4.585 1.00 0.00 O ATOM 918 CB LYS A 62 -1.461 -4.272 4.680 1.00 0.00 C ATOM 919 CG LYS A 62 0.072 -4.344 4.768 1.00 0.00 C ATOM 920 CD LYS A 62 0.489 -5.627 5.504 1.00 0.00 C ATOM 921 CE LYS A 62 2.010 -5.707 5.694 1.00 0.00 C ATOM 922 NZ LYS A 62 2.384 -6.924 6.463 1.00 0.00 N ATOM 0 H LYS A 62 -2.092 -1.770 5.534 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.508 -3.014 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.872 -4.250 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.830 -5.181 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.504 -4.330 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.457 -3.470 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.001 -5.663 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.147 -6.496 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.502 -5.721 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.363 -4.818 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.385 -6.866 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.792 -6.992 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.237 -7.767 5.872 1.00 0.00 H new ATOM 936 N LEU A 63 -3.880 -3.675 2.503 1.00 0.00 N ATOM 937 CA LEU A 63 -5.216 -4.188 2.196 1.00 0.00 C ATOM 938 C LEU A 63 -5.063 -5.639 1.711 1.00 0.00 C ATOM 939 O LEU A 63 -4.524 -5.891 0.633 1.00 0.00 O ATOM 940 CB LEU A 63 -5.883 -3.240 1.172 1.00 0.00 C ATOM 941 CG LEU A 63 -7.373 -3.471 0.831 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.633 -4.784 0.095 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.255 -3.437 2.076 1.00 0.00 C ATOM 0 H LEU A 63 -3.246 -3.726 1.706 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.874 -4.210 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.780 -2.221 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.315 -3.299 0.243 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.632 -2.647 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.699 -4.880 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.079 -4.791 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.307 -5.619 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.294 -3.604 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.939 -4.218 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.163 -2.465 2.560 1.00 0.00 H new ATOM 955 N ASP A 64 -5.527 -6.605 2.507 1.00 0.00 N ATOM 956 CA ASP A 64 -5.553 -8.013 2.097 1.00 0.00 C ATOM 957 C ASP A 64 -6.800 -8.260 1.235 1.00 0.00 C ATOM 958 O ASP A 64 -7.926 -8.218 1.744 1.00 0.00 O ATOM 959 CB ASP A 64 -5.503 -8.936 3.324 1.00 0.00 C ATOM 960 CG ASP A 64 -5.273 -10.416 2.957 1.00 0.00 C ATOM 961 OD1 ASP A 64 -5.704 -10.856 1.865 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.683 -11.145 3.788 1.00 0.00 O ATOM 0 H ASP A 64 -5.892 -6.437 3.445 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.671 -8.243 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.705 -8.604 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.438 -8.846 3.878 1.00 0.00 H new ATOM 967 N VAL A 65 -6.626 -8.505 -0.065 1.00 0.00 N ATOM 968 CA VAL A 65 -7.749 -8.644 -1.009 1.00 0.00 C ATOM 969 C VAL A 65 -8.606 -9.889 -0.755 1.00 0.00 C ATOM 970 O VAL A 65 -9.743 -9.949 -1.220 1.00 0.00 O ATOM 971 CB VAL A 65 -7.307 -8.574 -2.483 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.573 -7.258 -2.774 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.433 -9.737 -2.952 1.00 0.00 C ATOM 0 H VAL A 65 -5.708 -8.613 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.380 -7.777 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.239 -8.637 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.271 -7.233 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.236 -6.418 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.689 -7.187 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.174 -9.597 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.522 -9.771 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.979 -10.673 -2.835 1.00 0.00 H new ATOM 983 N ASP A 66 -8.106 -10.862 0.014 1.00 0.00 N ATOM 984 CA ASP A 66 -8.894 -12.007 0.482 1.00 0.00 C ATOM 985 C ASP A 66 -9.832 -11.642 1.651 1.00 0.00 C ATOM 986 O ASP A 66 -10.856 -12.297 1.855 1.00 0.00 O ATOM 987 CB ASP A 66 -7.939 -13.140 0.879 1.00 0.00 C ATOM 988 CG ASP A 66 -8.649 -14.500 0.850 1.00 0.00 C ATOM 989 OD1 ASP A 66 -8.952 -14.975 -0.270 1.00 0.00 O ATOM 990 OD2 ASP A 66 -8.877 -15.103 1.926 1.00 0.00 O ATOM 0 H ASP A 66 -7.137 -10.877 0.331 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.539 -12.333 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.088 -13.157 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.545 -12.954 1.878 1.00 0.00 H new ATOM 995 N THR A 67 -9.509 -10.576 2.396 1.00 0.00 N ATOM 996 CA THR A 67 -10.317 -10.053 3.518 1.00 0.00 C ATOM 997 C THR A 67 -11.280 -8.943 3.082 1.00 0.00 C ATOM 998 O THR A 67 -12.382 -8.837 3.624 1.00 0.00 O ATOM 999 CB THR A 67 -9.436 -9.543 4.676 1.00 0.00 C ATOM 1000 OG1 THR A 67 -8.790 -8.326 4.371 1.00 0.00 O ATOM 1001 CG2 THR A 67 -8.391 -10.557 5.139 1.00 0.00 C ATOM 0 H THR A 67 -8.658 -10.037 2.235 1.00 0.00 H new ATOM 0 HA THR A 67 -10.908 -10.899 3.871 1.00 0.00 H new ATOM 0 HB THR A 67 -10.138 -9.380 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.544 -8.315 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.808 -10.131 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.890 -11.463 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.729 -10.802 4.309 1.00 0.00 H new ATOM 1009 N ASN A 68 -10.896 -8.145 2.077 1.00 0.00 N ATOM 1010 CA ASN A 68 -11.683 -7.040 1.525 1.00 0.00 C ATOM 1011 C ASN A 68 -11.602 -6.996 -0.021 1.00 0.00 C ATOM 1012 O ASN A 68 -10.870 -6.172 -0.578 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.200 -5.729 2.175 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.548 -5.609 3.647 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -10.713 -5.765 4.525 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -12.786 -5.312 3.972 1.00 0.00 N ATOM 0 H ASN A 68 -9.996 -8.257 1.611 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.738 -7.186 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.119 -5.655 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.636 -4.886 1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.046 -5.213 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.487 -5.181 3.243 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.373 -7.837 -0.743 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.439 -7.795 -2.208 1.00 0.00 C ATOM 1025 C PRO A 69 -12.978 -6.464 -2.763 1.00 0.00 C ATOM 1026 O PRO A 69 -12.613 -6.051 -3.864 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.354 -8.961 -2.610 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.283 -9.917 -1.422 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.137 -8.969 -0.236 1.00 0.00 C ATOM 0 HA PRO A 69 -11.436 -7.880 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.375 -8.623 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.011 -9.439 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.180 -10.530 -1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.437 -10.599 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.111 -8.651 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.621 -9.453 0.593 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.834 -5.774 -2.000 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.490 -4.527 -2.419 1.00 0.00 C ATOM 1039 C GLU A 70 -13.494 -3.371 -2.592 1.00 0.00 C ATOM 1040 O GLU A 70 -13.568 -2.648 -3.586 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.588 -4.143 -1.414 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.723 -5.176 -1.373 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.855 -4.729 -0.428 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -17.745 -4.951 0.804 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -18.872 -4.171 -0.911 1.00 0.00 O ATOM 0 H GLU A 70 -14.095 -6.070 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.940 -4.709 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.151 -4.046 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.996 -3.168 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.121 -5.322 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.330 -6.138 -1.043 1.00 0.00 H new ATOM 1052 N THR A 71 -12.518 -3.227 -1.689 1.00 0.00 N ATOM 1053 CA THR A 71 -11.515 -2.146 -1.740 1.00 0.00 C ATOM 1054 C THR A 71 -10.667 -2.222 -3.012 1.00 0.00 C ATOM 1055 O THR A 71 -10.371 -1.195 -3.624 1.00 0.00 O ATOM 1056 CB THR A 71 -10.605 -2.168 -0.505 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.330 -2.529 0.648 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.990 -0.803 -0.202 1.00 0.00 C ATOM 0 H THR A 71 -12.397 -3.858 -0.897 1.00 0.00 H new ATOM 0 HA THR A 71 -12.067 -1.206 -1.750 1.00 0.00 H new ATOM 0 HB THR A 71 -9.823 -2.891 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.928 -2.103 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.356 -0.878 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.391 -0.477 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.784 -0.079 -0.019 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.322 -3.436 -3.456 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.515 -3.664 -4.655 1.00 0.00 C ATOM 1068 C ALA A 72 -10.195 -3.140 -5.930 1.00 0.00 C ATOM 1069 O ALA A 72 -9.556 -2.453 -6.733 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.190 -5.159 -4.744 1.00 0.00 C ATOM 0 H ALA A 72 -10.600 -4.297 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.588 -3.096 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.588 -5.348 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.634 -5.464 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.117 -5.730 -4.805 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.496 -3.414 -6.101 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.283 -2.918 -7.246 1.00 0.00 C ATOM 1078 C ARG A 73 -12.708 -1.451 -7.111 1.00 0.00 C ATOM 1079 O ARG A 73 -12.759 -0.748 -8.118 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.453 -3.869 -7.563 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.493 -4.003 -6.437 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.627 -4.976 -6.788 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.476 -4.471 -7.890 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.540 -4.914 -9.135 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -15.809 -5.904 -9.566 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -17.353 -4.360 -9.987 1.00 0.00 N ATOM 0 H ARG A 73 -12.035 -3.986 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.621 -2.922 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.956 -3.517 -8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.050 -4.857 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.996 -4.344 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.916 -3.022 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.202 -5.939 -7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.244 -5.146 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.086 -3.686 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.156 -6.369 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.890 -6.214 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.944 -3.581 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.399 -4.705 -10.946 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.934 -0.964 -5.888 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.299 0.432 -5.607 1.00 0.00 C ATOM 1102 C ASN A 74 -12.188 1.418 -6.034 1.00 0.00 C ATOM 1103 O ASN A 74 -12.473 2.446 -6.654 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.639 0.536 -4.104 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.213 1.873 -3.653 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.474 2.786 -4.424 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -14.469 2.019 -2.375 1.00 0.00 N ATOM 0 H ASN A 74 -12.868 -1.538 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.170 0.717 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.354 -0.249 -3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.734 0.337 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.882 2.887 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.256 1.264 -1.723 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.919 1.076 -5.777 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.751 1.904 -6.124 1.00 0.00 C ATOM 1116 C PHE A 75 -9.047 1.480 -7.430 1.00 0.00 C ATOM 1117 O PHE A 75 -8.010 2.044 -7.783 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.826 2.011 -4.899 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.449 2.838 -3.787 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.370 4.245 -3.833 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -10.172 2.217 -2.750 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -10.022 5.022 -2.860 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.828 2.994 -1.780 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.761 4.397 -1.840 1.00 0.00 C ATOM 0 H PHE A 75 -10.668 0.202 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.097 2.909 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.601 1.012 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.879 2.460 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.807 4.727 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.222 1.139 -2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.955 6.099 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.384 2.513 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.277 4.994 -1.103 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.617 0.514 -8.163 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.087 -0.074 -9.402 1.00 0.00 C ATOM 1136 C GLN A 76 -7.616 -0.523 -9.280 1.00 0.00 C ATOM 1137 O GLN A 76 -6.719 -0.055 -9.986 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.361 0.854 -10.600 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.212 0.122 -11.945 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.188 1.101 -13.116 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -8.134 1.547 -13.558 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -10.326 1.494 -13.649 1.00 0.00 N ATOM 0 H GLN A 76 -10.509 0.099 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.628 -1.001 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.369 1.262 -10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.672 1.698 -10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.293 -0.465 -11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.037 -0.579 -12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.209 1.131 -13.291 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.324 2.162 -14.420 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.370 -1.438 -8.346 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.054 -2.000 -8.015 1.00 0.00 C ATOM 1153 C VAL A 77 -6.110 -3.535 -7.899 1.00 0.00 C ATOM 1154 O VAL A 77 -5.386 -4.159 -7.126 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.474 -1.303 -6.767 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -4.972 0.113 -7.070 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.461 -1.229 -5.605 1.00 0.00 C ATOM 0 H VAL A 77 -8.115 -1.829 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.363 -1.799 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.634 -1.932 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.574 0.560 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.187 0.067 -7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.798 0.720 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.990 -0.728 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.344 -0.670 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.754 -2.237 -5.312 1.00 0.00 H new ATOM 1167 N VAL A 78 -6.992 -4.158 -8.687 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.336 -5.593 -8.624 1.00 0.00 C ATOM 1169 C VAL A 78 -6.230 -6.550 -9.110 1.00 0.00 C ATOM 1170 O VAL A 78 -6.252 -7.734 -8.772 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.636 -5.874 -9.409 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.840 -5.161 -8.785 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.557 -5.479 -10.891 1.00 0.00 C ATOM 0 H VAL A 78 -7.508 -3.664 -9.415 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.469 -5.800 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.764 -6.955 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.735 -5.383 -9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.977 -5.507 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.666 -4.085 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.505 -5.705 -11.379 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.352 -4.412 -10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.757 -6.040 -11.375 1.00 0.00 H new ATOM 1183 N SER A 79 -5.265 -6.064 -9.896 1.00 0.00 N ATOM 1184 CA SER A 79 -4.263 -6.866 -10.628 1.00 0.00 C ATOM 1185 C SER A 79 -3.057 -7.291 -9.766 1.00 0.00 C ATOM 1186 O SER A 79 -1.902 -7.072 -10.135 1.00 0.00 O ATOM 1187 CB SER A 79 -3.818 -6.110 -11.890 1.00 0.00 C ATOM 1188 OG SER A 79 -4.941 -5.762 -12.688 1.00 0.00 O ATOM 0 H SER A 79 -5.150 -5.062 -10.050 1.00 0.00 H new ATOM 0 HA SER A 79 -4.747 -7.800 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.273 -5.209 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.132 -6.729 -12.468 1.00 0.00 H new ATOM 0 HG SER A 79 -4.639 -5.280 -13.486 1.00 0.00 H new ATOM 1194 N ILE A 80 -3.323 -7.868 -8.591 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.375 -7.984 -7.470 1.00 0.00 C ATOM 1196 C ILE A 80 -1.028 -8.710 -7.754 1.00 0.00 C ATOM 1197 O ILE A 80 -0.974 -9.619 -8.590 1.00 0.00 O ATOM 1198 CB ILE A 80 -3.080 -8.552 -6.210 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -4.024 -9.759 -6.414 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.895 -7.432 -5.544 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.397 -10.969 -7.108 1.00 0.00 C ATOM 0 H ILE A 80 -4.232 -8.282 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.058 -6.957 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.259 -8.927 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.400 -10.074 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.885 -9.432 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.394 -7.823 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.229 -6.619 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.641 -7.059 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.141 -11.760 -7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.047 -10.679 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.555 -11.331 -6.518 1.00 0.00 H new ATOM 1213 N PRO A 81 0.071 -8.345 -7.049 1.00 0.00 N ATOM 1214 CA PRO A 81 0.164 -7.247 -6.082 1.00 0.00 C ATOM 1215 C PRO A 81 0.084 -5.874 -6.757 1.00 0.00 C ATOM 1216 O PRO A 81 0.663 -5.654 -7.824 1.00 0.00 O ATOM 1217 CB PRO A 81 1.520 -7.398 -5.392 1.00 0.00 C ATOM 1218 CG PRO A 81 2.370 -8.080 -6.459 1.00 0.00 C ATOM 1219 CD PRO A 81 1.368 -8.999 -7.161 1.00 0.00 C ATOM 0 HA PRO A 81 -0.669 -7.299 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.935 -6.433 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.448 -8.001 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.808 -7.358 -7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.194 -8.642 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.641 -9.147 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.349 -9.984 -6.694 1.00 0.00 H new ATOM 1227 N THR A 82 -0.604 -4.945 -6.098 1.00 0.00 N ATOM 1228 CA THR A 82 -0.809 -3.576 -6.586 1.00 0.00 C ATOM 1229 C THR A 82 -0.603 -2.587 -5.447 1.00 0.00 C ATOM 1230 O THR A 82 -1.062 -2.817 -4.332 1.00 0.00 O ATOM 1231 CB THR A 82 -2.210 -3.377 -7.184 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.641 -4.485 -7.945 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.249 -2.171 -8.121 1.00 0.00 C ATOM 0 H THR A 82 -1.044 -5.121 -5.195 1.00 0.00 H new ATOM 0 HA THR A 82 -0.080 -3.400 -7.377 1.00 0.00 H new ATOM 0 HB THR A 82 -2.865 -3.236 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.607 -4.603 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.254 -2.058 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.978 -1.272 -7.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.543 -2.322 -8.937 1.00 0.00 H new ATOM 1241 N LEU A 83 0.076 -1.474 -5.705 1.00 0.00 N ATOM 1242 CA LEU A 83 0.349 -0.433 -4.718 1.00 0.00 C ATOM 1243 C LEU A 83 -0.203 0.906 -5.198 1.00 0.00 C ATOM 1244 O LEU A 83 -0.103 1.232 -6.381 1.00 0.00 O ATOM 1245 CB LEU A 83 1.849 -0.364 -4.375 1.00 0.00 C ATOM 1246 CG LEU A 83 2.483 -1.735 -4.048 1.00 0.00 C ATOM 1247 CD1 LEU A 83 3.196 -2.350 -5.259 1.00 0.00 C ATOM 1248 CD2 LEU A 83 3.510 -1.590 -2.934 1.00 0.00 C ATOM 0 H LEU A 83 0.461 -1.265 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.165 -0.686 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.383 0.081 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.986 0.301 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 83 1.664 -2.388 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.625 -3.312 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.480 -2.494 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.990 -1.682 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.948 -2.563 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.294 -0.902 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.024 -1.201 -2.039 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.771 1.685 -4.282 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.276 3.039 -4.531 1.00 0.00 C ATOM 1262 C ILE A 84 -0.673 3.995 -3.495 1.00 0.00 C ATOM 1263 O ILE A 84 -0.678 3.712 -2.295 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.827 3.044 -4.576 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.449 4.415 -4.923 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.440 2.544 -3.266 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -3.208 4.853 -6.370 1.00 0.00 C ATOM 0 H ILE A 84 -0.898 1.386 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.961 3.395 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.069 2.358 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.523 4.374 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.040 5.170 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.527 2.564 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.109 1.523 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.121 3.188 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.674 5.824 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.136 4.928 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.642 4.119 -7.049 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.137 5.127 -3.950 1.00 0.00 N ATOM 1280 CA LEU A 85 0.328 6.221 -3.100 1.00 0.00 C ATOM 1281 C LEU A 85 -0.591 7.432 -3.289 1.00 0.00 C ATOM 1282 O LEU A 85 -0.830 7.868 -4.419 1.00 0.00 O ATOM 1283 CB LEU A 85 1.816 6.512 -3.375 1.00 0.00 C ATOM 1284 CG LEU A 85 2.450 7.528 -2.397 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.938 7.231 -2.215 1.00 0.00 C ATOM 1286 CD2 LEU A 85 2.341 8.977 -2.880 1.00 0.00 C ATOM 0 H LEU A 85 -0.011 5.313 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 85 0.271 5.946 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.374 5.577 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.920 6.889 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 85 1.896 7.421 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.371 7.954 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.062 6.225 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.444 7.301 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.805 9.640 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.850 9.080 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.291 9.244 -2.997 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.066 7.986 -2.177 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.825 9.235 -2.101 1.00 0.00 C ATOM 1300 C PHE A 86 -0.986 10.314 -1.398 1.00 0.00 C ATOM 1301 O PHE A 86 -0.163 9.993 -0.540 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.154 9.021 -1.352 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.039 7.888 -1.842 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.813 6.577 -1.383 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.131 8.146 -2.691 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.678 5.538 -1.762 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.982 7.098 -3.093 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.760 5.792 -2.622 1.00 0.00 C ATOM 0 H PHE A 86 -0.927 7.558 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.054 9.565 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.927 8.845 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.727 9.947 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.972 6.370 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.318 9.152 -3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.511 4.538 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.805 7.298 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.417 4.988 -2.919 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.216 11.590 -1.715 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.613 12.755 -1.047 1.00 0.00 C ATOM 1320 C LYS A 87 -1.693 13.804 -0.779 1.00 0.00 C ATOM 1321 O LYS A 87 -2.470 14.131 -1.674 1.00 0.00 O ATOM 1322 CB LYS A 87 0.566 13.264 -1.892 1.00 0.00 C ATOM 1323 CG LYS A 87 1.559 14.150 -1.124 1.00 0.00 C ATOM 1324 CD LYS A 87 2.869 14.275 -1.927 1.00 0.00 C ATOM 1325 CE LYS A 87 4.018 14.934 -1.150 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.778 16.382 -0.898 1.00 0.00 N ATOM 0 H LYS A 87 -1.849 11.854 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.203 12.490 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.102 12.407 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.174 13.827 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.127 15.137 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.762 13.721 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.183 13.281 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.676 14.854 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.151 14.420 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.946 14.815 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.581 16.780 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.678 16.880 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.907 16.498 -0.341 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.812 14.255 0.472 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.973 15.019 0.974 1.00 0.00 C ATOM 1342 C ASP A 88 -4.336 14.353 0.647 1.00 0.00 C ATOM 1343 O ASP A 88 -5.313 15.011 0.281 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.851 16.495 0.549 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.786 17.426 1.341 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.779 17.361 2.594 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.482 18.266 0.720 1.00 0.00 O ATOM 0 H ASP A 88 -1.096 14.101 1.182 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.955 15.003 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.820 16.823 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.076 16.581 -0.514 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.376 13.013 0.693 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.520 12.170 0.314 1.00 0.00 C ATOM 1354 C GLY A 89 -5.879 12.152 -1.181 1.00 0.00 C ATOM 1355 O GLY A 89 -6.884 11.546 -1.549 1.00 0.00 O ATOM 0 H GLY A 89 -3.577 12.463 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.313 11.148 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.394 12.505 0.873 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.086 12.785 -2.054 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.271 12.761 -3.514 1.00 0.00 C ATOM 1361 C GLN A 90 -4.345 11.698 -4.134 1.00 0.00 C ATOM 1362 O GLN A 90 -3.189 11.618 -3.716 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.992 14.151 -4.121 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.565 15.349 -3.342 1.00 0.00 C ATOM 1365 CD GLN A 90 -7.048 15.209 -2.997 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -7.910 15.097 -3.860 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -7.405 15.211 -1.729 1.00 0.00 N ATOM 0 H GLN A 90 -4.281 13.340 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.306 12.502 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.913 14.280 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.396 14.173 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.998 15.476 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.423 16.255 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.697 15.304 -1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.389 15.120 -1.476 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.777 10.871 -5.104 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.919 9.830 -5.677 1.00 0.00 C ATOM 1378 C PRO A 91 -2.756 10.429 -6.487 1.00 0.00 C ATOM 1379 O PRO A 91 -2.931 11.400 -7.228 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.848 8.953 -6.523 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.976 9.908 -6.916 1.00 0.00 C ATOM 1382 CD PRO A 91 -6.103 10.829 -5.702 1.00 0.00 C ATOM 0 HA PRO A 91 -3.429 9.238 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.336 8.554 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.222 8.101 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.732 10.467 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.905 9.373 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.431 11.825 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.840 10.447 -4.995 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.565 9.833 -6.353 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.299 10.316 -6.943 1.00 0.00 C ATOM 1392 C VAL A 92 0.368 9.262 -7.833 1.00 0.00 C ATOM 1393 O VAL A 92 0.773 9.591 -8.952 1.00 0.00 O ATOM 1394 CB VAL A 92 0.654 10.815 -5.833 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.078 11.108 -6.333 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.119 12.114 -5.228 1.00 0.00 C ATOM 0 H VAL A 92 -1.446 8.974 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.536 11.157 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 92 0.699 10.007 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.692 11.454 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.511 10.199 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.042 11.879 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.797 12.458 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.046 12.874 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.868 11.937 -4.800 1.00 0.00 H new ATOM 1406 N LYS A 93 0.480 8.004 -7.376 1.00 0.00 N ATOM 1407 CA LYS A 93 1.155 6.921 -8.119 1.00 0.00 C ATOM 1408 C LYS A 93 0.511 5.555 -7.878 1.00 0.00 C ATOM 1409 O LYS A 93 0.330 5.165 -6.728 1.00 0.00 O ATOM 1410 CB LYS A 93 2.647 6.904 -7.726 1.00 0.00 C ATOM 1411 CG LYS A 93 3.450 5.831 -8.485 1.00 0.00 C ATOM 1412 CD LYS A 93 4.938 5.817 -8.116 1.00 0.00 C ATOM 1413 CE LYS A 93 5.646 7.097 -8.571 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.105 7.016 -8.343 1.00 0.00 N ATOM 0 H LYS A 93 0.104 7.706 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 93 1.052 7.120 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.081 7.884 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.734 6.726 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.021 4.851 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.350 6.002 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.044 5.706 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.419 4.953 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.450 7.266 -9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.239 7.952 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.549 7.916 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.289 6.828 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.504 6.247 -8.918 1.00 0.00 H new ATOM 1428 N ARG A 94 0.254 4.804 -8.954 1.00 0.00 N ATOM 1429 CA ARG A 94 -0.138 3.381 -8.947 1.00 0.00 C ATOM 1430 C ARG A 94 0.986 2.511 -9.529 1.00 0.00 C ATOM 1431 O ARG A 94 1.570 2.860 -10.555 1.00 0.00 O ATOM 1432 CB ARG A 94 -1.484 3.213 -9.683 1.00 0.00 C ATOM 1433 CG ARG A 94 -2.023 1.769 -9.650 1.00 0.00 C ATOM 1434 CD ARG A 94 -3.438 1.641 -10.242 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.500 2.044 -11.662 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.575 2.050 -12.434 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.731 1.607 -12.037 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.516 2.512 -13.649 1.00 0.00 N ATOM 0 H ARG A 94 0.315 5.184 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.287 3.037 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.221 3.879 -9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.364 3.525 -10.721 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.344 1.121 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.033 1.414 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.776 0.609 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.127 2.257 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.626 2.348 -12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.838 1.234 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.531 1.632 -12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.635 2.874 -14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.350 2.512 -14.236 1.00 0.00 H new ATOM 1452 N ILE A 95 1.278 1.387 -8.876 1.00 0.00 N ATOM 1453 CA ILE A 95 2.326 0.410 -9.230 1.00 0.00 C ATOM 1454 C ILE A 95 1.701 -0.994 -9.246 1.00 0.00 C ATOM 1455 O ILE A 95 0.863 -1.294 -8.400 1.00 0.00 O ATOM 1456 CB ILE A 95 3.514 0.468 -8.227 1.00 0.00 C ATOM 1457 CG1 ILE A 95 3.982 1.914 -7.925 1.00 0.00 C ATOM 1458 CG2 ILE A 95 4.694 -0.383 -8.739 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.086 2.019 -6.863 1.00 0.00 C ATOM 0 H ILE A 95 0.766 1.111 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 95 2.724 0.652 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 95 3.149 0.054 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.341 2.366 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.123 2.499 -7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.516 -0.331 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.374 -1.419 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.026 -0.001 -9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.351 3.066 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.727 1.600 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.964 1.466 -7.195 1.00 0.00 H new ATOM 1471 N VAL A 96 2.111 -1.872 -10.163 1.00 0.00 N ATOM 1472 CA VAL A 96 1.691 -3.288 -10.215 1.00 0.00 C ATOM 1473 C VAL A 96 2.893 -4.216 -10.423 1.00 0.00 C ATOM 1474 O VAL A 96 3.838 -3.877 -11.143 1.00 0.00 O ATOM 1475 CB VAL A 96 0.553 -3.509 -11.238 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.831 -2.888 -12.615 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.214 -4.986 -11.449 1.00 0.00 C ATOM 0 H VAL A 96 2.759 -1.621 -10.910 1.00 0.00 H new ATOM 0 HA VAL A 96 1.269 -3.555 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.296 -2.999 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.011 -3.084 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.966 -1.812 -12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.735 -3.327 -13.036 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.592 -5.074 -12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.095 -5.513 -11.817 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.103 -5.425 -10.503 1.00 0.00 H new ATOM 1487 N GLY A 97 2.859 -5.385 -9.779 1.00 0.00 N ATOM 1488 CA GLY A 97 3.973 -6.337 -9.707 1.00 0.00 C ATOM 1489 C GLY A 97 4.964 -6.018 -8.579 1.00 0.00 C ATOM 1490 O GLY A 97 5.023 -4.896 -8.070 1.00 0.00 O ATOM 0 H GLY A 97 2.031 -5.706 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.576 -7.342 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.504 -6.339 -10.659 1.00 0.00 H new ATOM 1494 N ALA A 98 5.736 -7.024 -8.161 1.00 0.00 N ATOM 1495 CA ALA A 98 6.700 -6.902 -7.067 1.00 0.00 C ATOM 1496 C ALA A 98 7.993 -6.178 -7.497 1.00 0.00 C ATOM 1497 O ALA A 98 8.519 -6.417 -8.589 1.00 0.00 O ATOM 1498 CB ALA A 98 6.988 -8.300 -6.505 1.00 0.00 C ATOM 0 H ALA A 98 5.708 -7.955 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 98 6.265 -6.279 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.706 -8.223 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.063 -8.741 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.401 -8.931 -7.292 1.00 0.00 H new ATOM 1504 N LYS A 99 8.529 -5.330 -6.607 1.00 0.00 N ATOM 1505 CA LYS A 99 9.850 -4.680 -6.718 1.00 0.00 C ATOM 1506 C LYS A 99 10.630 -4.859 -5.407 1.00 0.00 C ATOM 1507 O LYS A 99 10.024 -4.886 -4.333 1.00 0.00 O ATOM 1508 CB LYS A 99 9.702 -3.192 -7.106 1.00 0.00 C ATOM 1509 CG LYS A 99 8.949 -2.979 -8.431 1.00 0.00 C ATOM 1510 CD LYS A 99 8.977 -1.515 -8.901 1.00 0.00 C ATOM 1511 CE LYS A 99 8.186 -1.391 -10.212 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.384 -0.077 -10.882 1.00 0.00 N ATOM 0 H LYS A 99 8.036 -5.065 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 99 10.418 -5.158 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.176 -2.667 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.693 -2.744 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.390 -3.612 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.914 -3.298 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.544 -0.867 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.006 -1.188 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.488 -2.189 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.125 -1.533 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.911 -0.085 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.979 0.678 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.401 0.096 -11.014 1.00 0.00 H new ATOM 1526 N GLY A 100 11.958 -4.987 -5.479 1.00 0.00 N ATOM 1527 CA GLY A 100 12.829 -5.115 -4.309 1.00 0.00 C ATOM 1528 C GLY A 100 13.012 -3.778 -3.595 1.00 0.00 C ATOM 1529 O GLY A 100 12.703 -2.725 -4.152 1.00 0.00 O ATOM 0 H GLY A 100 12.464 -5.005 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.405 -5.843 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.801 -5.499 -4.619 1.00 0.00 H new ATOM 1533 N LYS A 101 13.548 -3.804 -2.372 1.00 0.00 N ATOM 1534 CA LYS A 101 13.705 -2.626 -1.489 1.00 0.00 C ATOM 1535 C LYS A 101 14.405 -1.439 -2.165 1.00 0.00 C ATOM 1536 O LYS A 101 14.027 -0.296 -1.923 1.00 0.00 O ATOM 1537 CB LYS A 101 14.436 -3.065 -0.200 1.00 0.00 C ATOM 1538 CG LYS A 101 13.943 -2.433 1.111 1.00 0.00 C ATOM 1539 CD LYS A 101 14.085 -0.906 1.202 1.00 0.00 C ATOM 1540 CE LYS A 101 13.786 -0.363 2.606 1.00 0.00 C ATOM 1541 NZ LYS A 101 14.737 -0.876 3.629 1.00 0.00 N ATOM 0 H LYS A 101 13.897 -4.664 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 101 12.710 -2.255 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.351 -4.148 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.496 -2.836 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.893 -2.692 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.491 -2.882 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.098 -0.622 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.409 -0.440 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.829 0.726 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.770 -0.637 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.638 -0.322 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.528 -1.875 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.710 -0.789 3.273 1.00 0.00 H new ATOM 1555 N ALA A 102 15.357 -1.692 -3.064 1.00 0.00 N ATOM 1556 CA ALA A 102 16.066 -0.633 -3.785 1.00 0.00 C ATOM 1557 C ALA A 102 15.150 0.080 -4.798 1.00 0.00 C ATOM 1558 O ALA A 102 15.025 1.307 -4.772 1.00 0.00 O ATOM 1559 CB ALA A 102 17.311 -1.239 -4.448 1.00 0.00 C ATOM 0 H ALA A 102 15.658 -2.634 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 102 16.381 0.138 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.850 -0.461 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.960 -1.665 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.008 -2.022 -5.143 1.00 0.00 H new ATOM 1565 N ALA A 103 14.465 -0.688 -5.650 1.00 0.00 N ATOM 1566 CA ALA A 103 13.562 -0.176 -6.680 1.00 0.00 C ATOM 1567 C ALA A 103 12.255 0.385 -6.093 1.00 0.00 C ATOM 1568 O ALA A 103 11.776 1.426 -6.550 1.00 0.00 O ATOM 1569 CB ALA A 103 13.311 -1.302 -7.690 1.00 0.00 C ATOM 0 H ALA A 103 14.526 -1.706 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 103 14.028 0.672 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.639 -0.947 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.257 -1.608 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.858 -2.153 -7.181 1.00 0.00 H new ATOM 1575 N LEU A 104 11.712 -0.230 -5.031 1.00 0.00 N ATOM 1576 CA LEU A 104 10.576 0.320 -4.296 1.00 0.00 C ATOM 1577 C LEU A 104 10.979 1.637 -3.605 1.00 0.00 C ATOM 1578 O LEU A 104 10.247 2.619 -3.710 1.00 0.00 O ATOM 1579 CB LEU A 104 10.033 -0.748 -3.323 1.00 0.00 C ATOM 1580 CG LEU A 104 8.510 -0.744 -3.074 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.938 0.631 -2.748 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.722 -1.320 -4.250 1.00 0.00 C ATOM 0 H LEU A 104 12.051 -1.119 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 104 9.763 0.573 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.314 -1.730 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.536 -0.622 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 104 8.393 -1.382 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.863 0.549 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.412 1.018 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.129 1.311 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.656 -1.293 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.917 -0.727 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.030 -2.351 -4.424 1.00 0.00 H new ATOM 1594 N LEU A 105 12.180 1.737 -3.008 1.00 0.00 N ATOM 1595 CA LEU A 105 12.664 3.032 -2.515 1.00 0.00 C ATOM 1596 C LEU A 105 13.004 4.016 -3.640 1.00 0.00 C ATOM 1597 O LEU A 105 12.912 5.194 -3.364 1.00 0.00 O ATOM 1598 CB LEU A 105 13.788 2.921 -1.466 1.00 0.00 C ATOM 1599 CG LEU A 105 14.152 4.273 -0.777 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.975 4.942 -0.057 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.231 4.013 0.273 1.00 0.00 C ATOM 0 H LEU A 105 12.818 0.955 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 105 11.814 3.459 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.487 2.205 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.680 2.518 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 105 14.480 4.941 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.309 5.876 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.181 5.150 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.598 4.277 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.495 4.950 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.854 3.309 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.114 3.594 -0.209 1.00 0.00 H new ATOM 1613 N ARG A 106 13.312 3.646 -4.893 1.00 0.00 N ATOM 1614 CA ARG A 106 13.310 4.654 -5.989 1.00 0.00 C ATOM 1615 C ARG A 106 11.902 5.222 -6.231 1.00 0.00 C ATOM 1616 O ARG A 106 11.682 6.440 -6.235 1.00 0.00 O ATOM 1617 CB ARG A 106 13.921 4.114 -7.298 1.00 0.00 C ATOM 1618 CG ARG A 106 15.389 3.653 -7.221 1.00 0.00 C ATOM 1619 CD ARG A 106 16.295 4.609 -6.432 1.00 0.00 C ATOM 1620 NE ARG A 106 17.709 4.193 -6.468 1.00 0.00 N ATOM 1621 CZ ARG A 106 18.314 3.346 -5.652 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.672 2.636 -4.767 1.00 0.00 N ATOM 1623 NH2 ARG A 106 19.607 3.194 -5.714 1.00 0.00 N ATOM 0 H ARG A 106 13.558 2.697 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 106 13.952 5.469 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.315 3.274 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.845 4.891 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.427 2.666 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.781 3.547 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.203 5.615 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.958 4.655 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 106 18.284 4.604 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.659 2.721 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.183 1.995 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 106 20.151 3.728 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 106 20.074 2.541 -5.085 1.00 0.00 H new ATOM 1637 N GLU A 107 10.928 4.319 -6.353 1.00 0.00 N ATOM 1638 CA GLU A 107 9.518 4.666 -6.568 1.00 0.00 C ATOM 1639 C GLU A 107 8.932 5.539 -5.447 1.00 0.00 C ATOM 1640 O GLU A 107 8.075 6.382 -5.722 1.00 0.00 O ATOM 1641 CB GLU A 107 8.680 3.393 -6.737 1.00 0.00 C ATOM 1642 CG GLU A 107 8.945 2.698 -8.077 1.00 0.00 C ATOM 1643 CD GLU A 107 8.147 3.299 -9.248 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.003 4.544 -9.334 1.00 0.00 O ATOM 1645 OE2 GLU A 107 7.679 2.500 -10.094 1.00 0.00 O ATOM 0 H GLU A 107 11.095 3.314 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 107 9.479 5.260 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.902 2.704 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.622 3.644 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.009 2.758 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.698 1.640 -7.984 1.00 0.00 H new ATOM 1652 N LEU A 108 9.425 5.380 -4.215 1.00 0.00 N ATOM 1653 CA LEU A 108 9.080 6.219 -3.064 1.00 0.00 C ATOM 1654 C LEU A 108 10.037 7.389 -2.841 1.00 0.00 C ATOM 1655 O LEU A 108 9.594 8.408 -2.326 1.00 0.00 O ATOM 1656 CB LEU A 108 9.015 5.365 -1.793 1.00 0.00 C ATOM 1657 CG LEU A 108 7.969 4.246 -1.842 1.00 0.00 C ATOM 1658 CD1 LEU A 108 8.063 3.455 -0.541 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.542 4.766 -2.014 1.00 0.00 C ATOM 0 H LEU A 108 10.093 4.644 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 108 8.105 6.652 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.995 4.923 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.798 6.013 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 108 8.182 3.625 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.327 2.651 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.063 3.031 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.866 4.117 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.849 3.925 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.289 5.418 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.469 5.327 -2.946 1.00 0.00 H new ATOM 1671 N SER A 109 11.311 7.310 -3.233 1.00 0.00 N ATOM 1672 CA SER A 109 12.266 8.425 -3.098 1.00 0.00 C ATOM 1673 C SER A 109 11.880 9.590 -4.015 1.00 0.00 C ATOM 1674 O SER A 109 12.153 10.753 -3.712 1.00 0.00 O ATOM 1675 CB SER A 109 13.736 8.068 -3.342 1.00 0.00 C ATOM 1676 OG SER A 109 14.020 7.814 -4.708 1.00 0.00 O ATOM 0 H SER A 109 11.715 6.473 -3.654 1.00 0.00 H new ATOM 0 HA SER A 109 12.192 8.708 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.367 8.884 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.994 7.189 -2.752 1.00 0.00 H new ATOM 0 HG SER A 109 13.226 7.440 -5.143 1.00 0.00 H new ATOM 1682 N ASP A 110 11.145 9.279 -5.092 1.00 0.00 N ATOM 1683 CA ASP A 110 10.386 10.239 -5.908 1.00 0.00 C ATOM 1684 C ASP A 110 9.442 11.164 -5.083 1.00 0.00 C ATOM 1685 O ASP A 110 9.113 12.269 -5.518 1.00 0.00 O ATOM 1686 CB ASP A 110 9.600 9.395 -6.924 1.00 0.00 C ATOM 1687 CG ASP A 110 8.992 10.171 -8.102 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.555 11.200 -8.543 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.973 9.675 -8.643 1.00 0.00 O ATOM 0 H ASP A 110 11.059 8.321 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 110 11.073 10.934 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.263 8.627 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.796 8.881 -6.397 1.00 0.00 H new ATOM 1694 N VAL A 111 9.043 10.744 -3.871 1.00 0.00 N ATOM 1695 CA VAL A 111 8.281 11.494 -2.853 1.00 0.00 C ATOM 1696 C VAL A 111 9.128 11.781 -1.590 1.00 0.00 C ATOM 1697 O VAL A 111 8.930 12.807 -0.938 1.00 0.00 O ATOM 1698 CB VAL A 111 7.007 10.684 -2.511 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.198 11.271 -1.351 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.067 10.590 -3.722 1.00 0.00 C ATOM 0 H VAL A 111 9.260 9.800 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 111 8.004 12.469 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 111 7.376 9.701 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.320 10.651 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.816 11.298 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.881 12.283 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.181 10.015 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.769 11.592 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.583 10.095 -4.545 1.00 0.00 H new ATOM 1710 N VAL A 112 10.086 10.907 -1.256 1.00 0.00 N ATOM 1711 CA VAL A 112 10.955 10.923 -0.060 1.00 0.00 C ATOM 1712 C VAL A 112 12.410 11.252 -0.458 1.00 0.00 C ATOM 1713 O VAL A 112 13.213 10.339 -0.666 1.00 0.00 O ATOM 1714 CB VAL A 112 10.849 9.576 0.712 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.656 9.612 2.019 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.394 9.258 1.092 1.00 0.00 C ATOM 0 H VAL A 112 10.294 10.109 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 112 10.616 11.708 0.616 1.00 0.00 H new ATOM 0 HB VAL A 112 11.244 8.814 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.560 8.655 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.706 9.799 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.276 10.408 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.357 8.311 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.002 10.052 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.789 9.186 0.188 1.00 0.00 H new