USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 63 LYS NZ :NH3+ -145:sc= 1.16 (180deg=-0.15) USER MOD Set 1.2: A 74 TYR OH : rot 112:sc= 1.19 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 150:sc= 1.09 (180deg=0.00587) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.335 K(o=1.4,f=-6.6!) USER MOD Set 3.1: A 30 THR OG1 : rot 109:sc= 1.21 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 1.05 USER MOD Single : A 7 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.08) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -130:sc= -0.584 USER MOD Single : A 37 THR OG1 : rot -20:sc= 1.24 USER MOD Single : A 40 SER OG : rot 12:sc= 1.24 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.15) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -1.29 (180deg=-2.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 120:sc= 0.00388 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.0454 (180deg=-0.311) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -130:sc= 0.956 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 173:sc= -0.106 (180deg=-0.23) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 10.916 -3.726 1.199 1.00 0.00 N ATOM 90 CA GLN A 7 11.413 -3.942 2.511 1.00 0.00 C ATOM 91 C GLN A 7 12.240 -5.204 2.475 1.00 0.00 C ATOM 92 O GLN A 7 12.146 -5.961 1.516 1.00 0.00 O ATOM 93 CB GLN A 7 10.264 -4.061 3.497 1.00 0.00 C ATOM 94 CG GLN A 7 9.427 -2.793 3.632 1.00 0.00 C ATOM 95 CD GLN A 7 8.260 -2.963 4.583 1.00 0.00 C ATOM 96 OE1 GLN A 7 8.316 -3.746 5.528 1.00 0.00 O ATOM 97 NE2 GLN A 7 7.200 -2.237 4.354 1.00 0.00 N ATOM 0 HA GLN A 7 12.027 -3.104 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.616 -4.880 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.665 -4.325 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.061 -1.979 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.052 -2.504 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.183 -1.595 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.389 -2.311 4.968 1.00 0.00 H new ATOM 106 N LEU A 8 13.039 -5.420 3.469 1.00 0.00 N ATOM 107 CA LEU A 8 13.919 -6.570 3.493 1.00 0.00 C ATOM 108 C LEU A 8 13.437 -7.577 4.515 1.00 0.00 C ATOM 109 O LEU A 8 13.086 -7.207 5.629 1.00 0.00 O ATOM 110 CB LEU A 8 15.361 -6.159 3.794 1.00 0.00 C ATOM 111 CG LEU A 8 16.136 -5.329 2.732 1.00 0.00 C ATOM 112 CD1 LEU A 8 15.504 -3.969 2.454 1.00 0.00 C ATOM 113 CD2 LEU A 8 17.574 -5.152 3.165 1.00 0.00 C ATOM 0 H LEU A 8 13.109 -4.816 4.288 1.00 0.00 H new ATOM 0 HA LEU A 8 13.900 -7.029 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.355 -5.587 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.931 -7.068 3.984 1.00 0.00 H new ATOM 0 HG LEU A 8 16.091 -5.892 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.093 -3.440 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.488 -4.109 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.479 -3.385 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.110 -4.570 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.604 -4.629 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.045 -6.129 3.271 1.00 0.00 H new ATOM 125 N GLU A 9 13.476 -8.836 4.181 1.00 0.00 N ATOM 126 CA GLU A 9 12.889 -9.836 5.029 1.00 0.00 C ATOM 127 C GLU A 9 13.851 -10.358 6.075 1.00 0.00 C ATOM 128 O GLU A 9 15.060 -10.468 5.854 1.00 0.00 O ATOM 129 CB GLU A 9 12.319 -11.039 4.252 1.00 0.00 C ATOM 130 CG GLU A 9 11.253 -10.746 3.194 1.00 0.00 C ATOM 131 CD GLU A 9 11.825 -10.280 1.883 1.00 0.00 C ATOM 132 OE1 GLU A 9 12.051 -9.092 1.701 1.00 0.00 O ATOM 133 OE2 GLU A 9 12.060 -11.134 0.997 1.00 0.00 O ATOM 0 H GLU A 9 13.907 -9.194 3.329 1.00 0.00 H new ATOM 0 HA GLU A 9 12.068 -9.314 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.149 -11.549 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.896 -11.738 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.662 -11.646 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.572 -9.985 3.576 1.00 0.00 H new ATOM 140 N ILE A 10 13.309 -10.607 7.232 1.00 0.00 N ATOM 141 CA ILE A 10 14.023 -11.200 8.328 1.00 0.00 C ATOM 142 C ILE A 10 13.241 -12.398 8.796 1.00 0.00 C ATOM 143 O ILE A 10 12.008 -12.352 8.855 1.00 0.00 O ATOM 144 CB ILE A 10 14.172 -10.216 9.542 1.00 0.00 C ATOM 145 CG1 ILE A 10 14.928 -8.955 9.130 1.00 0.00 C ATOM 146 CG2 ILE A 10 14.880 -10.896 10.714 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.059 -7.920 10.225 1.00 0.00 C ATOM 0 H ILE A 10 12.334 -10.398 7.446 1.00 0.00 H new ATOM 0 HA ILE A 10 15.022 -11.464 7.980 1.00 0.00 H new ATOM 0 HB ILE A 10 13.170 -9.931 9.863 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.925 -9.238 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.420 -8.503 8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.971 -10.193 11.542 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.302 -11.762 11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.873 -11.218 10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.609 -7.058 9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.067 -7.605 10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.596 -8.351 11.070 1.00 0.00 H new ATOM 159 N LYS A 11 13.928 -13.465 9.075 1.00 0.00 N ATOM 160 CA LYS A 11 13.305 -14.600 9.686 1.00 0.00 C ATOM 161 C LYS A 11 13.980 -14.857 11.004 1.00 0.00 C ATOM 162 O LYS A 11 15.201 -14.654 11.140 1.00 0.00 O ATOM 163 CB LYS A 11 13.306 -15.884 8.835 1.00 0.00 C ATOM 164 CG LYS A 11 14.669 -16.461 8.484 1.00 0.00 C ATOM 165 CD LYS A 11 14.547 -17.947 8.123 1.00 0.00 C ATOM 166 CE LYS A 11 13.594 -18.202 6.962 1.00 0.00 C ATOM 167 NZ LYS A 11 13.364 -19.649 6.757 1.00 0.00 N ATOM 0 H LYS A 11 14.925 -13.573 8.888 1.00 0.00 H new ATOM 0 HA LYS A 11 12.252 -14.348 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.739 -16.647 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.772 -15.679 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.098 -15.911 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.350 -16.340 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.533 -18.335 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.203 -18.500 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.643 -17.705 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.003 -17.765 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.007 -19.811 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.258 -20.164 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.665 -19.990 7.447 1.00 0.00 H new ATOM 181 N PHE A 12 13.230 -15.276 11.961 1.00 0.00 N ATOM 182 CA PHE A 12 13.761 -15.517 13.269 1.00 0.00 C ATOM 183 C PHE A 12 13.904 -17.000 13.475 1.00 0.00 C ATOM 184 O PHE A 12 12.934 -17.733 13.338 1.00 0.00 O ATOM 185 CB PHE A 12 12.823 -14.935 14.325 1.00 0.00 C ATOM 186 CG PHE A 12 12.518 -13.480 14.116 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.482 -12.523 14.351 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.262 -13.074 13.688 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.207 -11.187 14.162 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.981 -11.739 13.498 1.00 0.00 C ATOM 191 CZ PHE A 12 11.956 -10.792 13.734 1.00 0.00 C ATOM 0 H PHE A 12 12.232 -15.463 11.867 1.00 0.00 H new ATOM 0 HA PHE A 12 14.736 -15.038 13.362 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.890 -15.498 14.321 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.271 -15.067 15.310 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.463 -12.824 14.687 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.496 -13.813 13.502 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.971 -10.447 14.349 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.000 -11.434 13.165 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.741 -9.744 13.584 1.00 0.00 H new ATOM 201 N ARG A 13 15.093 -17.457 13.770 1.00 0.00 N ATOM 202 CA ARG A 13 15.277 -18.862 13.989 1.00 0.00 C ATOM 203 C ARG A 13 15.743 -19.120 15.397 1.00 0.00 C ATOM 204 O ARG A 13 16.822 -18.675 15.806 1.00 0.00 O ATOM 205 CB ARG A 13 16.206 -19.514 12.953 1.00 0.00 C ATOM 206 CG ARG A 13 16.183 -21.035 13.034 1.00 0.00 C ATOM 207 CD ARG A 13 16.971 -21.700 11.920 1.00 0.00 C ATOM 208 NE ARG A 13 16.703 -23.145 11.889 1.00 0.00 N ATOM 209 CZ ARG A 13 16.976 -23.966 10.869 1.00 0.00 C ATOM 210 NH1 ARG A 13 17.654 -23.534 9.815 1.00 0.00 N ATOM 211 NH2 ARG A 13 16.571 -25.228 10.918 1.00 0.00 N ATOM 0 H ARG A 13 15.933 -16.886 13.862 1.00 0.00 H new ATOM 0 HA ARG A 13 14.305 -19.337 13.855 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.908 -19.201 11.952 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.225 -19.159 13.107 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.589 -21.348 13.996 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.150 -21.380 12.997 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.704 -21.254 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.037 -21.525 12.067 1.00 0.00 H new ATOM 0 HE ARG A 13 16.272 -23.557 12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.974 -22.566 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.856 -24.169 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.055 -25.567 11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.776 -25.860 10.144 1.00 0.00 H new ATOM 225 N LEU A 14 14.930 -19.835 16.124 1.00 0.00 N ATOM 226 CA LEU A 14 15.173 -20.157 17.507 1.00 0.00 C ATOM 227 C LEU A 14 16.330 -21.121 17.622 1.00 0.00 C ATOM 228 O LEU A 14 16.605 -21.881 16.694 1.00 0.00 O ATOM 229 CB LEU A 14 13.913 -20.793 18.164 1.00 0.00 C ATOM 230 CG LEU A 14 12.643 -19.915 18.351 1.00 0.00 C ATOM 231 CD1 LEU A 14 12.054 -19.442 17.025 1.00 0.00 C ATOM 232 CD2 LEU A 14 11.595 -20.677 19.149 1.00 0.00 C ATOM 0 H LEU A 14 14.057 -20.221 15.764 1.00 0.00 H new ATOM 0 HA LEU A 14 15.412 -19.229 18.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.630 -21.659 17.566 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.205 -21.165 19.146 1.00 0.00 H new ATOM 0 HG LEU A 14 12.948 -19.024 18.899 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.170 -18.834 17.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.794 -18.848 16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.776 -20.306 16.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.709 -20.054 19.275 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.325 -21.589 18.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.999 -20.935 20.128 1.00 0.00 H new ATOM 244 N THR A 15 16.988 -21.101 18.766 1.00 0.00 N ATOM 245 CA THR A 15 18.112 -21.993 19.073 1.00 0.00 C ATOM 246 C THR A 15 17.683 -23.462 19.024 1.00 0.00 C ATOM 247 O THR A 15 18.506 -24.368 18.911 1.00 0.00 O ATOM 248 CB THR A 15 18.683 -21.666 20.468 1.00 0.00 C ATOM 249 OG1 THR A 15 19.814 -22.495 20.769 1.00 0.00 O ATOM 250 CG2 THR A 15 17.629 -21.823 21.561 1.00 0.00 C ATOM 0 H THR A 15 16.760 -20.459 19.525 1.00 0.00 H new ATOM 0 HA THR A 15 18.882 -21.834 18.318 1.00 0.00 H new ATOM 0 HB THR A 15 19.001 -20.624 20.443 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.159 -22.268 21.658 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.070 -21.584 22.529 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.797 -21.147 21.364 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.266 -22.851 21.572 1.00 0.00 H new ATOM 258 N ASP A 16 16.398 -23.660 19.065 1.00 0.00 N ATOM 259 CA ASP A 16 15.790 -24.984 19.021 1.00 0.00 C ATOM 260 C ASP A 16 15.783 -25.535 17.601 1.00 0.00 C ATOM 261 O ASP A 16 15.415 -26.678 17.376 1.00 0.00 O ATOM 262 CB ASP A 16 14.351 -24.933 19.563 1.00 0.00 C ATOM 263 CG ASP A 16 14.274 -24.585 21.033 1.00 0.00 C ATOM 264 OD1 ASP A 16 14.358 -23.388 21.383 1.00 0.00 O ATOM 265 OD2 ASP A 16 14.133 -25.509 21.864 1.00 0.00 O ATOM 0 H ASP A 16 15.720 -22.901 19.131 1.00 0.00 H new ATOM 0 HA ASP A 16 16.387 -25.646 19.649 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.782 -24.198 18.993 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.875 -25.900 19.401 1.00 0.00 H new ATOM 270 N GLY A 17 16.185 -24.710 16.650 1.00 0.00 N ATOM 271 CA GLY A 17 16.298 -25.149 15.281 1.00 0.00 C ATOM 272 C GLY A 17 15.064 -24.876 14.468 1.00 0.00 C ATOM 273 O GLY A 17 15.009 -25.228 13.300 1.00 0.00 O ATOM 0 H GLY A 17 16.437 -23.734 16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.149 -24.652 14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.506 -26.219 15.265 1.00 0.00 H new ATOM 277 N SER A 18 14.097 -24.231 15.066 1.00 0.00 N ATOM 278 CA SER A 18 12.851 -23.917 14.394 1.00 0.00 C ATOM 279 C SER A 18 12.856 -22.450 13.990 1.00 0.00 C ATOM 280 O SER A 18 13.345 -21.607 14.750 1.00 0.00 O ATOM 281 CB SER A 18 11.693 -24.196 15.346 1.00 0.00 C ATOM 282 OG SER A 18 11.765 -25.530 15.845 1.00 0.00 O ATOM 0 H SER A 18 14.145 -23.906 16.032 1.00 0.00 H new ATOM 0 HA SER A 18 12.739 -24.531 13.500 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.719 -23.490 16.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.745 -24.046 14.829 1.00 0.00 H new ATOM 0 HG SER A 18 11.016 -25.692 16.456 1.00 0.00 H new ATOM 288 N ASP A 19 12.340 -22.132 12.823 1.00 0.00 N ATOM 289 CA ASP A 19 12.335 -20.773 12.373 1.00 0.00 C ATOM 290 C ASP A 19 10.929 -20.275 12.185 1.00 0.00 C ATOM 291 O ASP A 19 9.972 -21.054 12.109 1.00 0.00 O ATOM 292 CB ASP A 19 13.106 -20.614 11.050 1.00 0.00 C ATOM 293 CG ASP A 19 12.398 -21.205 9.840 1.00 0.00 C ATOM 294 OD1 ASP A 19 12.323 -22.437 9.725 1.00 0.00 O ATOM 295 OD2 ASP A 19 11.934 -20.440 8.968 1.00 0.00 O ATOM 0 H ASP A 19 11.921 -22.800 12.176 1.00 0.00 H new ATOM 0 HA ASP A 19 12.830 -20.181 13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.283 -19.553 10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.082 -21.087 11.153 1.00 0.00 H new ATOM 300 N ILE A 20 10.820 -18.988 12.134 1.00 0.00 N ATOM 301 CA ILE A 20 9.592 -18.299 11.884 1.00 0.00 C ATOM 302 C ILE A 20 9.672 -17.764 10.471 1.00 0.00 C ATOM 303 O ILE A 20 10.753 -17.333 10.043 1.00 0.00 O ATOM 304 CB ILE A 20 9.408 -17.110 12.890 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.371 -17.633 14.341 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.151 -16.296 12.573 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.215 -16.548 15.397 1.00 0.00 C ATOM 0 H ILE A 20 11.613 -18.362 12.270 1.00 0.00 H new ATOM 0 HA ILE A 20 8.744 -18.972 12.010 1.00 0.00 H new ATOM 0 HB ILE A 20 10.265 -16.445 12.782 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.547 -18.339 14.439 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.289 -18.186 14.539 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.055 -15.481 13.290 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.227 -15.886 11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.274 -16.941 12.637 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.198 -17.004 16.387 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.052 -15.853 15.331 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.282 -16.009 15.230 1.00 0.00 H new ATOM 319 N GLY A 21 8.562 -17.830 9.744 1.00 0.00 N ATOM 320 CA GLY A 21 8.516 -17.369 8.377 1.00 0.00 C ATOM 321 C GLY A 21 8.999 -15.941 8.242 1.00 0.00 C ATOM 322 O GLY A 21 8.695 -15.099 9.099 1.00 0.00 O ATOM 0 H GLY A 21 7.678 -18.203 10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.130 -18.020 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.494 -17.443 8.004 1.00 0.00 H new ATOM 326 N PRO A 22 9.756 -15.631 7.181 1.00 0.00 N ATOM 327 CA PRO A 22 10.318 -14.312 6.995 1.00 0.00 C ATOM 328 C PRO A 22 9.256 -13.258 6.768 1.00 0.00 C ATOM 329 O PRO A 22 8.270 -13.474 6.038 1.00 0.00 O ATOM 330 CB PRO A 22 11.220 -14.446 5.775 1.00 0.00 C ATOM 331 CG PRO A 22 10.728 -15.649 5.050 1.00 0.00 C ATOM 332 CD PRO A 22 10.099 -16.546 6.082 1.00 0.00 C ATOM 0 HA PRO A 22 10.857 -13.984 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.164 -13.558 5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.263 -14.563 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.003 -15.371 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.548 -16.158 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.215 -17.049 5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.789 -17.324 6.410 1.00 0.00 H new ATOM 340 N LYS A 23 9.452 -12.153 7.392 1.00 0.00 N ATOM 341 CA LYS A 23 8.556 -11.038 7.313 1.00 0.00 C ATOM 342 C LYS A 23 9.388 -9.883 6.800 1.00 0.00 C ATOM 343 O LYS A 23 10.601 -9.880 6.998 1.00 0.00 O ATOM 344 CB LYS A 23 8.007 -10.742 8.724 1.00 0.00 C ATOM 345 CG LYS A 23 6.882 -9.708 8.811 1.00 0.00 C ATOM 346 CD LYS A 23 6.510 -9.465 10.275 1.00 0.00 C ATOM 347 CE LYS A 23 5.340 -8.494 10.449 1.00 0.00 C ATOM 348 NZ LYS A 23 4.052 -9.052 9.978 1.00 0.00 N ATOM 0 H LYS A 23 10.261 -11.987 7.991 1.00 0.00 H new ATOM 0 HA LYS A 23 7.705 -11.222 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.647 -11.677 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.833 -10.402 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.198 -8.774 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.010 -10.059 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.255 -10.417 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.379 -9.074 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.251 -8.226 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.553 -7.575 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.297 -8.351 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.123 -9.283 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.830 -9.914 10.516 1.00 0.00 H new ATOM 362 N ALA A 24 8.789 -8.937 6.142 1.00 0.00 N ATOM 363 CA ALA A 24 9.548 -7.840 5.591 1.00 0.00 C ATOM 364 C ALA A 24 9.666 -6.693 6.590 1.00 0.00 C ATOM 365 O ALA A 24 8.667 -6.263 7.175 1.00 0.00 O ATOM 366 CB ALA A 24 8.942 -7.381 4.283 1.00 0.00 C ATOM 0 H ALA A 24 7.784 -8.896 5.971 1.00 0.00 H new ATOM 0 HA ALA A 24 10.559 -8.192 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.527 -6.553 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.945 -8.206 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.917 -7.052 4.453 1.00 0.00 H new ATOM 372 N PHE A 25 10.885 -6.237 6.807 1.00 0.00 N ATOM 373 CA PHE A 25 11.168 -5.146 7.718 1.00 0.00 C ATOM 374 C PHE A 25 12.017 -4.102 7.006 1.00 0.00 C ATOM 375 O PHE A 25 12.985 -4.450 6.304 1.00 0.00 O ATOM 376 CB PHE A 25 11.990 -5.634 8.920 1.00 0.00 C ATOM 377 CG PHE A 25 11.405 -6.764 9.705 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.576 -8.055 9.273 1.00 0.00 C ATOM 379 CD2 PHE A 25 10.717 -6.545 10.880 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.080 -9.110 9.978 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.217 -7.611 11.600 1.00 0.00 C ATOM 382 CZ PHE A 25 10.407 -8.898 11.133 1.00 0.00 C ATOM 0 H PHE A 25 11.714 -6.618 6.351 1.00 0.00 H new ATOM 0 HA PHE A 25 10.214 -4.737 8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.973 -5.939 8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.144 -4.792 9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.115 -8.239 8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.569 -5.537 11.238 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.224 -10.117 9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.681 -7.441 12.522 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.017 -9.737 11.691 1.00 0.00 H new ATOM 392 N PRO A 26 11.669 -2.834 7.128 1.00 0.00 N ATOM 393 CA PRO A 26 12.503 -1.750 6.626 1.00 0.00 C ATOM 394 C PRO A 26 13.804 -1.649 7.435 1.00 0.00 C ATOM 395 O PRO A 26 13.826 -1.948 8.634 1.00 0.00 O ATOM 396 CB PRO A 26 11.659 -0.496 6.873 1.00 0.00 C ATOM 397 CG PRO A 26 10.273 -0.997 7.057 1.00 0.00 C ATOM 398 CD PRO A 26 10.418 -2.334 7.716 1.00 0.00 C ATOM 0 HA PRO A 26 12.782 -1.892 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.004 0.045 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.721 0.194 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.688 -0.316 7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.756 -1.084 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.483 -2.249 8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.575 -2.989 7.498 1.00 0.00 H new ATOM 406 N ASP A 27 14.870 -1.224 6.793 1.00 0.00 N ATOM 407 CA ASP A 27 16.165 -1.074 7.467 1.00 0.00 C ATOM 408 C ASP A 27 16.131 0.057 8.461 1.00 0.00 C ATOM 409 O ASP A 27 16.882 0.070 9.431 1.00 0.00 O ATOM 410 CB ASP A 27 17.298 -0.832 6.475 1.00 0.00 C ATOM 411 CG ASP A 27 17.570 -2.002 5.598 1.00 0.00 C ATOM 412 OD1 ASP A 27 18.211 -2.956 6.065 1.00 0.00 O ATOM 413 OD2 ASP A 27 17.148 -1.983 4.427 1.00 0.00 O ATOM 0 H ASP A 27 14.877 -0.973 5.804 1.00 0.00 H new ATOM 0 HA ASP A 27 16.353 -2.012 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.051 0.029 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.205 -0.579 7.024 1.00 0.00 H new ATOM 418 N ALA A 28 15.230 0.986 8.239 1.00 0.00 N ATOM 419 CA ALA A 28 15.097 2.155 9.081 1.00 0.00 C ATOM 420 C ALA A 28 14.326 1.845 10.361 1.00 0.00 C ATOM 421 O ALA A 28 14.226 2.692 11.260 1.00 0.00 O ATOM 422 CB ALA A 28 14.403 3.254 8.315 1.00 0.00 C ATOM 0 H ALA A 28 14.565 0.953 7.466 1.00 0.00 H new ATOM 0 HA ALA A 28 16.097 2.479 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.304 4.134 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.990 3.509 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.414 2.915 8.008 1.00 0.00 H new ATOM 428 N THR A 29 13.809 0.646 10.457 1.00 0.00 N ATOM 429 CA THR A 29 13.072 0.233 11.615 1.00 0.00 C ATOM 430 C THR A 29 14.052 -0.094 12.737 1.00 0.00 C ATOM 431 O THR A 29 15.099 -0.693 12.492 1.00 0.00 O ATOM 432 CB THR A 29 12.193 -0.985 11.269 1.00 0.00 C ATOM 433 OG1 THR A 29 11.278 -0.611 10.228 1.00 0.00 O ATOM 434 CG2 THR A 29 11.407 -1.481 12.474 1.00 0.00 C ATOM 0 H THR A 29 13.889 -0.068 9.733 1.00 0.00 H new ATOM 0 HA THR A 29 12.415 1.036 11.948 1.00 0.00 H new ATOM 0 HB THR A 29 12.845 -1.795 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.369 -0.873 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.801 -2.340 12.185 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.099 -1.774 13.264 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.757 -0.685 12.837 1.00 0.00 H new ATOM 442 N THR A 30 13.750 0.327 13.937 1.00 0.00 N ATOM 443 CA THR A 30 14.635 0.082 15.035 1.00 0.00 C ATOM 444 C THR A 30 14.464 -1.329 15.589 1.00 0.00 C ATOM 445 O THR A 30 13.404 -1.947 15.423 1.00 0.00 O ATOM 446 CB THR A 30 14.472 1.139 16.141 1.00 0.00 C ATOM 447 OG1 THR A 30 13.098 1.207 16.561 1.00 0.00 O ATOM 448 CG2 THR A 30 14.915 2.504 15.638 1.00 0.00 C ATOM 0 H THR A 30 12.900 0.839 14.174 1.00 0.00 H new ATOM 0 HA THR A 30 15.652 0.163 14.652 1.00 0.00 H new ATOM 0 HB THR A 30 15.095 0.851 16.987 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.011 0.822 17.458 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.794 3.241 16.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.963 2.460 15.341 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.306 2.791 14.780 1.00 0.00 H new ATOM 456 N VAL A 31 15.499 -1.835 16.248 1.00 0.00 N ATOM 457 CA VAL A 31 15.483 -3.178 16.823 1.00 0.00 C ATOM 458 C VAL A 31 14.371 -3.308 17.862 1.00 0.00 C ATOM 459 O VAL A 31 13.801 -4.373 18.034 1.00 0.00 O ATOM 460 CB VAL A 31 16.854 -3.547 17.444 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.844 -4.949 18.045 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.946 -3.431 16.394 1.00 0.00 C ATOM 0 H VAL A 31 16.372 -1.329 16.400 1.00 0.00 H new ATOM 0 HA VAL A 31 15.285 -3.880 16.013 1.00 0.00 H new ATOM 0 HB VAL A 31 17.054 -2.845 18.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.823 -5.170 18.470 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.088 -5.004 18.828 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.614 -5.677 17.267 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.907 -3.692 16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.731 -4.110 15.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.985 -2.408 16.021 1.00 0.00 H new ATOM 472 N SER A 32 14.046 -2.213 18.520 1.00 0.00 N ATOM 473 CA SER A 32 12.958 -2.195 19.467 1.00 0.00 C ATOM 474 C SER A 32 11.638 -2.615 18.781 1.00 0.00 C ATOM 475 O SER A 32 10.894 -3.452 19.296 1.00 0.00 O ATOM 476 CB SER A 32 12.853 -0.800 20.081 1.00 0.00 C ATOM 477 OG SER A 32 12.763 0.204 19.067 1.00 0.00 O ATOM 0 H SER A 32 14.526 -1.320 18.412 1.00 0.00 H new ATOM 0 HA SER A 32 13.150 -2.913 20.264 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.976 -0.749 20.727 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.723 -0.610 20.709 1.00 0.00 H new ATOM 0 HG SER A 32 12.695 1.087 19.486 1.00 0.00 H new ATOM 483 N ALA A 33 11.405 -2.067 17.602 1.00 0.00 N ATOM 484 CA ALA A 33 10.223 -2.360 16.819 1.00 0.00 C ATOM 485 C ALA A 33 10.354 -3.723 16.116 1.00 0.00 C ATOM 486 O ALA A 33 9.366 -4.325 15.733 1.00 0.00 O ATOM 487 CB ALA A 33 9.951 -1.241 15.827 1.00 0.00 C ATOM 0 H ALA A 33 12.038 -1.401 17.159 1.00 0.00 H new ATOM 0 HA ALA A 33 9.368 -2.423 17.492 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.059 -1.478 15.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.796 -0.307 16.366 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.803 -1.135 15.155 1.00 0.00 H new ATOM 493 N LEU A 34 11.577 -4.184 15.932 1.00 0.00 N ATOM 494 CA LEU A 34 11.836 -5.482 15.400 1.00 0.00 C ATOM 495 C LEU A 34 11.377 -6.512 16.421 1.00 0.00 C ATOM 496 O LEU A 34 10.689 -7.478 16.102 1.00 0.00 O ATOM 497 CB LEU A 34 13.345 -5.585 15.152 1.00 0.00 C ATOM 498 CG LEU A 34 13.907 -6.941 14.812 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.265 -7.502 13.559 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.406 -6.859 14.640 1.00 0.00 C ATOM 0 H LEU A 34 12.418 -3.652 16.154 1.00 0.00 H new ATOM 0 HA LEU A 34 11.305 -5.658 14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.599 -4.903 14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.857 -5.223 16.044 1.00 0.00 H new ATOM 0 HG LEU A 34 13.681 -7.616 15.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.691 -8.481 13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.190 -7.600 13.713 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.451 -6.829 12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.799 -7.846 14.395 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.642 -6.164 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.860 -6.508 15.567 1.00 0.00 H new ATOM 512 N LYS A 35 11.727 -6.250 17.656 1.00 0.00 N ATOM 513 CA LYS A 35 11.398 -7.102 18.763 1.00 0.00 C ATOM 514 C LYS A 35 9.924 -7.033 19.111 1.00 0.00 C ATOM 515 O LYS A 35 9.345 -8.020 19.535 1.00 0.00 O ATOM 516 CB LYS A 35 12.273 -6.756 19.953 1.00 0.00 C ATOM 517 CG LYS A 35 13.746 -6.985 19.657 1.00 0.00 C ATOM 518 CD LYS A 35 14.687 -6.612 20.798 1.00 0.00 C ATOM 519 CE LYS A 35 14.520 -7.524 21.994 1.00 0.00 C ATOM 520 NZ LYS A 35 15.478 -7.205 23.077 1.00 0.00 N ATOM 0 H LYS A 35 12.259 -5.421 17.921 1.00 0.00 H new ATOM 0 HA LYS A 35 11.596 -8.134 18.474 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.116 -5.713 20.229 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.976 -7.361 20.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.895 -8.036 19.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.020 -6.408 18.774 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.718 -6.660 20.447 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.500 -5.581 21.099 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.502 -7.439 22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.658 -8.559 21.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.055 -7.444 23.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.349 -7.757 22.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.704 -6.190 23.053 1.00 0.00 H new ATOM 534 N GLU A 36 9.316 -5.868 18.917 1.00 0.00 N ATOM 535 CA GLU A 36 7.891 -5.709 19.170 1.00 0.00 C ATOM 536 C GLU A 36 7.104 -6.592 18.209 1.00 0.00 C ATOM 537 O GLU A 36 6.070 -7.173 18.550 1.00 0.00 O ATOM 538 CB GLU A 36 7.477 -4.216 19.101 1.00 0.00 C ATOM 539 CG GLU A 36 7.295 -3.543 17.757 1.00 0.00 C ATOM 540 CD GLU A 36 5.988 -3.888 17.052 1.00 0.00 C ATOM 541 OE1 GLU A 36 4.919 -3.491 17.548 1.00 0.00 O ATOM 542 OE2 GLU A 36 6.025 -4.527 15.975 1.00 0.00 O ATOM 0 H GLU A 36 9.786 -5.025 18.587 1.00 0.00 H new ATOM 0 HA GLU A 36 7.658 -6.036 20.183 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.538 -4.114 19.644 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.226 -3.646 19.650 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.345 -2.463 17.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.127 -3.820 17.110 1.00 0.00 H new ATOM 549 N THR A 37 7.628 -6.697 17.015 1.00 0.00 N ATOM 550 CA THR A 37 7.079 -7.555 16.001 1.00 0.00 C ATOM 551 C THR A 37 7.229 -9.026 16.400 1.00 0.00 C ATOM 552 O THR A 37 6.322 -9.835 16.171 1.00 0.00 O ATOM 553 CB THR A 37 7.744 -7.297 14.636 1.00 0.00 C ATOM 554 OG1 THR A 37 7.545 -5.929 14.269 1.00 0.00 O ATOM 555 CG2 THR A 37 7.144 -8.186 13.568 1.00 0.00 C ATOM 0 H THR A 37 8.457 -6.183 16.718 1.00 0.00 H new ATOM 0 HA THR A 37 6.017 -7.327 15.908 1.00 0.00 H new ATOM 0 HB THR A 37 8.808 -7.519 14.719 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.793 -5.560 14.778 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.630 -7.986 12.613 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.293 -9.231 13.839 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.077 -7.982 13.482 1.00 0.00 H new ATOM 563 N VAL A 38 8.350 -9.361 17.023 1.00 0.00 N ATOM 564 CA VAL A 38 8.587 -10.721 17.490 1.00 0.00 C ATOM 565 C VAL A 38 7.495 -11.118 18.477 1.00 0.00 C ATOM 566 O VAL A 38 6.985 -12.226 18.423 1.00 0.00 O ATOM 567 CB VAL A 38 9.982 -10.885 18.157 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.199 -12.317 18.606 1.00 0.00 C ATOM 569 CG2 VAL A 38 11.089 -10.469 17.208 1.00 0.00 C ATOM 0 H VAL A 38 9.111 -8.710 17.217 1.00 0.00 H new ATOM 0 HA VAL A 38 8.566 -11.375 16.618 1.00 0.00 H new ATOM 0 HB VAL A 38 10.010 -10.235 19.031 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.181 -12.408 19.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.430 -12.592 19.328 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.142 -12.981 17.744 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.054 -10.593 17.698 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.054 -11.091 16.313 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.955 -9.424 16.929 1.00 0.00 H new ATOM 579 N ILE A 39 7.105 -10.166 19.330 1.00 0.00 N ATOM 580 CA ILE A 39 6.054 -10.379 20.326 1.00 0.00 C ATOM 581 C ILE A 39 4.749 -10.803 19.628 1.00 0.00 C ATOM 582 O ILE A 39 4.059 -11.720 20.071 1.00 0.00 O ATOM 583 CB ILE A 39 5.772 -9.082 21.158 1.00 0.00 C ATOM 584 CG1 ILE A 39 7.079 -8.499 21.715 1.00 0.00 C ATOM 585 CG2 ILE A 39 4.813 -9.391 22.316 1.00 0.00 C ATOM 586 CD1 ILE A 39 6.896 -7.242 22.536 1.00 0.00 C ATOM 0 H ILE A 39 7.508 -9.229 19.349 1.00 0.00 H new ATOM 0 HA ILE A 39 6.401 -11.161 21.001 1.00 0.00 H new ATOM 0 HB ILE A 39 5.313 -8.348 20.496 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.567 -9.254 22.331 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.750 -8.282 20.884 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.626 -8.481 22.886 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.872 -9.770 21.918 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.260 -10.142 22.968 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.866 -6.895 22.892 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.438 -6.468 21.920 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.252 -7.455 23.389 1.00 0.00 H new ATOM 598 N SER A 40 4.439 -10.144 18.518 1.00 0.00 N ATOM 599 CA SER A 40 3.224 -10.434 17.771 1.00 0.00 C ATOM 600 C SER A 40 3.313 -11.750 16.956 1.00 0.00 C ATOM 601 O SER A 40 2.295 -12.369 16.657 1.00 0.00 O ATOM 602 CB SER A 40 2.823 -9.232 16.883 1.00 0.00 C ATOM 603 OG SER A 40 3.875 -8.838 15.988 1.00 0.00 O ATOM 0 H SER A 40 5.014 -9.404 18.116 1.00 0.00 H new ATOM 0 HA SER A 40 2.433 -10.593 18.504 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.936 -9.491 16.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.555 -8.388 17.518 1.00 0.00 H new ATOM 0 HG SER A 40 4.576 -9.523 15.985 1.00 0.00 H new ATOM 609 N GLU A 41 4.526 -12.173 16.617 1.00 0.00 N ATOM 610 CA GLU A 41 4.729 -13.367 15.838 1.00 0.00 C ATOM 611 C GLU A 41 4.907 -14.595 16.726 1.00 0.00 C ATOM 612 O GLU A 41 4.804 -15.740 16.253 1.00 0.00 O ATOM 613 CB GLU A 41 5.963 -13.188 14.969 1.00 0.00 C ATOM 614 CG GLU A 41 5.841 -12.109 13.909 1.00 0.00 C ATOM 615 CD GLU A 41 4.731 -12.386 12.927 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.971 -13.076 11.931 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.605 -11.907 13.134 1.00 0.00 O ATOM 0 H GLU A 41 5.387 -11.693 16.878 1.00 0.00 H new ATOM 0 HA GLU A 41 3.846 -13.526 15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.812 -12.953 15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.186 -14.136 14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.663 -11.148 14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.785 -12.025 13.371 1.00 0.00 H new ATOM 624 N TRP A 42 5.169 -14.360 17.989 1.00 0.00 N ATOM 625 CA TRP A 42 5.441 -15.417 18.931 1.00 0.00 C ATOM 626 C TRP A 42 4.120 -16.082 19.322 1.00 0.00 C ATOM 627 O TRP A 42 3.104 -15.383 19.489 1.00 0.00 O ATOM 628 CB TRP A 42 6.130 -14.818 20.162 1.00 0.00 C ATOM 629 CG TRP A 42 6.990 -15.776 20.930 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.702 -16.433 22.096 1.00 0.00 C ATOM 631 CD2 TRP A 42 8.306 -16.180 20.558 1.00 0.00 C ATOM 632 NE1 TRP A 42 7.783 -17.183 22.490 1.00 0.00 N ATOM 633 CE2 TRP A 42 8.775 -17.055 21.547 1.00 0.00 C ATOM 634 CE3 TRP A 42 9.138 -15.872 19.476 1.00 0.00 C ATOM 635 CZ2 TRP A 42 10.036 -17.628 21.484 1.00 0.00 C ATOM 636 CZ3 TRP A 42 10.388 -16.442 19.417 1.00 0.00 C ATOM 637 CH2 TRP A 42 10.826 -17.309 20.417 1.00 0.00 C ATOM 0 H TRP A 42 5.200 -13.424 18.394 1.00 0.00 H new ATOM 0 HA TRP A 42 6.097 -16.167 18.490 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.744 -13.976 19.843 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.367 -14.421 20.831 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.764 -16.371 22.627 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.840 -17.742 23.341 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.804 -15.198 18.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.382 -18.304 22.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 11.039 -16.215 18.585 1.00 0.00 H new ATOM 0 HH2 TRP A 42 11.814 -17.739 20.346 1.00 0.00 H new ATOM 648 N PRO A 43 4.100 -17.431 19.421 1.00 0.00 N ATOM 649 CA PRO A 43 2.902 -18.206 19.789 1.00 0.00 C ATOM 650 C PRO A 43 2.141 -17.630 20.996 1.00 0.00 C ATOM 651 O PRO A 43 2.650 -17.618 22.126 1.00 0.00 O ATOM 652 CB PRO A 43 3.472 -19.578 20.130 1.00 0.00 C ATOM 653 CG PRO A 43 4.671 -19.699 19.261 1.00 0.00 C ATOM 654 CD PRO A 43 5.255 -18.319 19.161 1.00 0.00 C ATOM 0 HA PRO A 43 2.167 -18.206 18.984 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.736 -19.649 21.185 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.751 -20.370 19.928 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.392 -20.397 19.687 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.401 -20.080 18.276 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.050 -18.166 19.891 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.687 -18.137 18.177 1.00 0.00 H new ATOM 662 N ARG A 44 0.915 -17.172 20.737 1.00 0.00 N ATOM 663 CA ARG A 44 0.047 -16.544 21.752 1.00 0.00 C ATOM 664 C ARG A 44 -0.283 -17.510 22.880 1.00 0.00 C ATOM 665 O ARG A 44 -0.577 -17.097 24.004 1.00 0.00 O ATOM 666 CB ARG A 44 -1.269 -16.069 21.126 1.00 0.00 C ATOM 667 CG ARG A 44 -1.141 -15.035 20.022 1.00 0.00 C ATOM 668 CD ARG A 44 -2.520 -14.624 19.522 1.00 0.00 C ATOM 669 NE ARG A 44 -2.468 -13.634 18.436 1.00 0.00 N ATOM 670 CZ ARG A 44 -3.545 -13.045 17.889 1.00 0.00 C ATOM 671 NH1 ARG A 44 -4.766 -13.358 18.321 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.395 -12.148 16.914 1.00 0.00 N ATOM 0 H ARG A 44 0.487 -17.224 19.812 1.00 0.00 H new ATOM 0 HA ARG A 44 0.599 -15.694 22.154 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.793 -16.937 20.726 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.896 -15.654 21.915 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.606 -14.161 20.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.554 -15.442 19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.052 -15.509 19.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.094 -14.213 20.353 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.550 -13.376 18.072 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.883 -14.044 19.066 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.584 -12.911 17.906 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.461 -11.907 16.582 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.214 -11.702 16.501 1.00 0.00 H new ATOM 686 N GLU A 45 -0.238 -18.785 22.570 1.00 0.00 N ATOM 687 CA GLU A 45 -0.574 -19.831 23.517 1.00 0.00 C ATOM 688 C GLU A 45 0.492 -19.945 24.613 1.00 0.00 C ATOM 689 O GLU A 45 0.198 -20.323 25.748 1.00 0.00 O ATOM 690 CB GLU A 45 -0.680 -21.161 22.778 1.00 0.00 C ATOM 691 CG GLU A 45 -1.078 -22.336 23.650 1.00 0.00 C ATOM 692 CD GLU A 45 -1.004 -23.637 22.913 1.00 0.00 C ATOM 693 OE1 GLU A 45 -1.992 -24.027 22.257 1.00 0.00 O ATOM 694 OE2 GLU A 45 0.055 -24.296 22.971 1.00 0.00 O ATOM 0 H GLU A 45 0.034 -19.131 21.650 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.526 -19.581 23.986 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.409 -21.058 21.974 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.280 -21.380 22.311 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.425 -22.377 24.522 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.093 -22.186 24.018 1.00 0.00 H new ATOM 701 N LYS A 46 1.712 -19.584 24.287 1.00 0.00 N ATOM 702 CA LYS A 46 2.789 -19.725 25.192 1.00 0.00 C ATOM 703 C LYS A 46 2.948 -18.545 26.111 1.00 0.00 C ATOM 704 O LYS A 46 3.723 -17.627 25.840 1.00 0.00 O ATOM 705 CB LYS A 46 4.100 -20.053 24.471 1.00 0.00 C ATOM 706 CG LYS A 46 4.306 -21.528 24.094 1.00 0.00 C ATOM 707 CD LYS A 46 3.243 -22.067 23.150 1.00 0.00 C ATOM 708 CE LYS A 46 3.502 -23.528 22.831 1.00 0.00 C ATOM 709 NZ LYS A 46 2.495 -24.085 21.904 1.00 0.00 N ATOM 0 H LYS A 46 1.968 -19.186 23.383 1.00 0.00 H new ATOM 0 HA LYS A 46 2.536 -20.575 25.826 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.152 -19.455 23.561 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.929 -19.741 25.106 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.285 -21.643 23.629 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.312 -22.130 25.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.258 -21.957 23.603 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.237 -21.484 22.229 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.494 -23.632 22.392 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.501 -24.106 23.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.905 -24.891 21.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.665 -24.404 22.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.205 -23.352 21.225 1.00 0.00 H new ATOM 723 N GLU A 47 2.171 -18.528 27.166 1.00 0.00 N ATOM 724 CA GLU A 47 2.348 -17.550 28.169 1.00 0.00 C ATOM 725 C GLU A 47 3.483 -18.000 29.043 1.00 0.00 C ATOM 726 O GLU A 47 3.692 -19.205 29.206 1.00 0.00 O ATOM 727 CB GLU A 47 1.080 -17.297 28.973 1.00 0.00 C ATOM 728 CG GLU A 47 -0.082 -16.818 28.120 1.00 0.00 C ATOM 729 CD GLU A 47 -1.298 -16.463 28.927 1.00 0.00 C ATOM 730 OE1 GLU A 47 -2.035 -17.366 29.329 1.00 0.00 O ATOM 731 OE2 GLU A 47 -1.543 -15.262 29.154 1.00 0.00 O ATOM 0 H GLU A 47 1.413 -19.189 27.337 1.00 0.00 H new ATOM 0 HA GLU A 47 2.583 -16.592 27.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.793 -18.215 29.485 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.288 -16.554 29.743 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.232 -15.947 27.545 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.344 -17.596 27.403 1.00 0.00 H new ATOM 738 N ASN A 48 4.207 -17.053 29.590 1.00 0.00 N ATOM 739 CA ASN A 48 5.448 -17.312 30.354 1.00 0.00 C ATOM 740 C ASN A 48 6.579 -17.739 29.444 1.00 0.00 C ATOM 741 O ASN A 48 7.622 -18.214 29.905 1.00 0.00 O ATOM 742 CB ASN A 48 5.268 -18.313 31.519 1.00 0.00 C ATOM 743 CG ASN A 48 4.393 -17.789 32.621 1.00 0.00 C ATOM 744 OD1 ASN A 48 4.878 -17.151 33.554 1.00 0.00 O ATOM 745 ND2 ASN A 48 3.118 -18.051 32.543 1.00 0.00 N ATOM 0 H ASN A 48 3.966 -16.064 29.528 1.00 0.00 H new ATOM 0 HA ASN A 48 5.710 -16.359 30.814 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.839 -19.237 31.132 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.247 -18.563 31.929 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.484 -17.723 33.272 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.754 -18.583 31.753 1.00 0.00 H new ATOM 752 N GLY A 49 6.387 -17.526 28.160 1.00 0.00 N ATOM 753 CA GLY A 49 7.387 -17.824 27.201 1.00 0.00 C ATOM 754 C GLY A 49 8.043 -16.550 26.722 1.00 0.00 C ATOM 755 O GLY A 49 7.638 -15.458 27.137 1.00 0.00 O ATOM 0 H GLY A 49 5.528 -17.141 27.768 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.135 -18.485 27.638 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.946 -18.355 26.357 1.00 0.00 H new ATOM 759 N PRO A 50 9.056 -16.652 25.870 1.00 0.00 N ATOM 760 CA PRO A 50 9.806 -15.486 25.319 1.00 0.00 C ATOM 761 C PRO A 50 8.983 -14.623 24.340 1.00 0.00 C ATOM 762 O PRO A 50 9.378 -14.429 23.208 1.00 0.00 O ATOM 763 CB PRO A 50 10.952 -16.159 24.553 1.00 0.00 C ATOM 764 CG PRO A 50 11.012 -17.544 25.071 1.00 0.00 C ATOM 765 CD PRO A 50 9.610 -17.915 25.382 1.00 0.00 C ATOM 0 HA PRO A 50 10.106 -14.801 26.112 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.766 -16.149 23.479 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.895 -15.637 24.718 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.442 -18.220 24.332 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.640 -17.603 25.960 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.080 -18.278 24.501 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.555 -18.702 26.135 1.00 0.00 H new ATOM 773 N LYS A 51 7.876 -14.101 24.795 1.00 0.00 N ATOM 774 CA LYS A 51 7.033 -13.263 23.955 1.00 0.00 C ATOM 775 C LYS A 51 7.501 -11.832 23.947 1.00 0.00 C ATOM 776 O LYS A 51 7.649 -11.237 22.902 1.00 0.00 O ATOM 777 CB LYS A 51 5.578 -13.290 24.422 1.00 0.00 C ATOM 778 CG LYS A 51 4.862 -14.612 24.229 1.00 0.00 C ATOM 779 CD LYS A 51 3.463 -14.575 24.814 1.00 0.00 C ATOM 780 CE LYS A 51 3.518 -14.381 26.313 1.00 0.00 C ATOM 781 NZ LYS A 51 2.189 -14.355 26.929 1.00 0.00 N ATOM 0 H LYS A 51 7.528 -14.236 25.744 1.00 0.00 H new ATOM 0 HA LYS A 51 7.104 -13.673 22.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.548 -13.030 25.480 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.027 -12.516 23.888 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.807 -14.846 23.166 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.435 -15.410 24.702 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.893 -13.765 24.358 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.941 -15.503 24.581 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.104 -15.185 26.758 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.035 -13.448 26.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.249 -14.723 27.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.835 -13.377 26.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.538 -14.946 26.374 1.00 0.00 H new ATOM 795 N THR A 52 7.753 -11.293 25.113 1.00 0.00 N ATOM 796 CA THR A 52 8.023 -9.888 25.233 1.00 0.00 C ATOM 797 C THR A 52 9.446 -9.491 24.831 1.00 0.00 C ATOM 798 O THR A 52 10.374 -10.308 24.816 1.00 0.00 O ATOM 799 CB THR A 52 7.702 -9.365 26.641 1.00 0.00 C ATOM 800 OG1 THR A 52 8.452 -10.091 27.621 1.00 0.00 O ATOM 801 CG2 THR A 52 6.217 -9.493 26.936 1.00 0.00 C ATOM 0 H THR A 52 7.776 -11.809 25.992 1.00 0.00 H new ATOM 0 HA THR A 52 7.354 -9.412 24.516 1.00 0.00 H new ATOM 0 HB THR A 52 7.978 -8.312 26.684 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.241 -9.748 28.514 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.011 -9.117 27.938 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.650 -8.913 26.208 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.923 -10.541 26.874 1.00 0.00 H new ATOM 809 N VAL A 53 9.594 -8.204 24.551 1.00 0.00 N ATOM 810 CA VAL A 53 10.838 -7.585 24.086 1.00 0.00 C ATOM 811 C VAL A 53 11.993 -7.807 25.079 1.00 0.00 C ATOM 812 O VAL A 53 13.159 -7.872 24.694 1.00 0.00 O ATOM 813 CB VAL A 53 10.614 -6.049 23.820 1.00 0.00 C ATOM 814 CG1 VAL A 53 10.129 -5.324 25.070 1.00 0.00 C ATOM 815 CG2 VAL A 53 11.860 -5.377 23.272 1.00 0.00 C ATOM 0 H VAL A 53 8.829 -7.535 24.643 1.00 0.00 H new ATOM 0 HA VAL A 53 11.122 -8.067 23.150 1.00 0.00 H new ATOM 0 HB VAL A 53 9.835 -5.980 23.061 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.986 -4.267 24.845 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.183 -5.756 25.397 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.870 -5.430 25.862 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.659 -4.319 23.104 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.675 -5.482 23.988 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.142 -5.847 22.330 1.00 0.00 H new ATOM 825 N LYS A 54 11.653 -7.944 26.332 1.00 0.00 N ATOM 826 CA LYS A 54 12.631 -8.133 27.374 1.00 0.00 C ATOM 827 C LYS A 54 13.264 -9.512 27.301 1.00 0.00 C ATOM 828 O LYS A 54 14.448 -9.677 27.591 1.00 0.00 O ATOM 829 CB LYS A 54 11.968 -7.990 28.740 1.00 0.00 C ATOM 830 CG LYS A 54 11.371 -6.629 29.038 1.00 0.00 C ATOM 831 CD LYS A 54 10.663 -6.623 30.394 1.00 0.00 C ATOM 832 CE LYS A 54 11.601 -7.029 31.531 1.00 0.00 C ATOM 833 NZ LYS A 54 10.925 -7.017 32.842 1.00 0.00 N ATOM 0 H LYS A 54 10.688 -7.928 26.662 1.00 0.00 H new ATOM 0 HA LYS A 54 13.403 -7.376 27.236 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.180 -8.739 28.822 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.706 -8.219 29.508 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.157 -5.874 29.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.664 -6.359 28.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.264 -5.628 30.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.814 -7.306 30.363 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.995 -8.027 31.336 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.453 -6.350 31.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.599 -7.299 33.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.571 -6.060 33.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.128 -7.684 32.828 1.00 0.00 H new ATOM 847 N GLU A 55 12.487 -10.483 26.870 1.00 0.00 N ATOM 848 CA GLU A 55 12.889 -11.878 26.986 1.00 0.00 C ATOM 849 C GLU A 55 13.483 -12.429 25.687 1.00 0.00 C ATOM 850 O GLU A 55 14.101 -13.498 25.674 1.00 0.00 O ATOM 851 CB GLU A 55 11.669 -12.698 27.391 1.00 0.00 C ATOM 852 CG GLU A 55 10.902 -12.106 28.576 1.00 0.00 C ATOM 853 CD GLU A 55 11.716 -11.977 29.848 1.00 0.00 C ATOM 854 OE1 GLU A 55 12.471 -10.994 29.996 1.00 0.00 O ATOM 855 OE2 GLU A 55 11.576 -12.822 30.746 1.00 0.00 O ATOM 0 H GLU A 55 11.575 -10.338 26.437 1.00 0.00 H new ATOM 0 HA GLU A 55 13.673 -11.946 27.740 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.996 -12.780 26.537 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.988 -13.709 27.643 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.530 -11.121 28.296 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.032 -12.730 28.778 1.00 0.00 H new ATOM 862 N VAL A 56 13.295 -11.720 24.606 1.00 0.00 N ATOM 863 CA VAL A 56 13.790 -12.184 23.323 1.00 0.00 C ATOM 864 C VAL A 56 15.157 -11.579 23.026 1.00 0.00 C ATOM 865 O VAL A 56 15.340 -10.357 23.121 1.00 0.00 O ATOM 866 CB VAL A 56 12.838 -11.803 22.160 1.00 0.00 C ATOM 867 CG1 VAL A 56 13.331 -12.391 20.852 1.00 0.00 C ATOM 868 CG2 VAL A 56 11.422 -12.248 22.439 1.00 0.00 C ATOM 0 H VAL A 56 12.807 -10.825 24.580 1.00 0.00 H new ATOM 0 HA VAL A 56 13.856 -13.270 23.392 1.00 0.00 H new ATOM 0 HB VAL A 56 12.836 -10.716 22.075 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.650 -12.112 20.048 1.00 0.00 H new ATOM 0 HG12 VAL A 56 14.327 -12.007 20.633 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.371 -13.477 20.934 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.781 -11.965 21.604 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.399 -13.331 22.564 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.063 -11.770 23.350 1.00 0.00 H new ATOM 878 N LYS A 57 16.105 -12.420 22.679 1.00 0.00 N ATOM 879 CA LYS A 57 17.412 -11.974 22.282 1.00 0.00 C ATOM 880 C LYS A 57 17.628 -12.276 20.808 1.00 0.00 C ATOM 881 O LYS A 57 17.566 -13.446 20.395 1.00 0.00 O ATOM 882 CB LYS A 57 18.480 -12.666 23.110 1.00 0.00 C ATOM 883 CG LYS A 57 18.405 -12.376 24.592 1.00 0.00 C ATOM 884 CD LYS A 57 19.509 -13.085 25.351 1.00 0.00 C ATOM 885 CE LYS A 57 19.421 -12.786 26.832 1.00 0.00 C ATOM 886 NZ LYS A 57 20.493 -13.447 27.598 1.00 0.00 N ATOM 0 H LYS A 57 15.987 -13.433 22.666 1.00 0.00 H new ATOM 0 HA LYS A 57 17.483 -10.899 22.447 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.400 -13.742 22.958 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.461 -12.364 22.742 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.479 -11.301 24.758 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.436 -12.692 24.977 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.436 -14.160 25.188 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.480 -12.769 24.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.477 -11.709 26.987 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.452 -13.113 27.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.393 -13.214 28.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 20.425 -14.477 27.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.418 -13.117 27.256 1.00 0.00 H new ATOM 900 N LEU A 58 17.859 -11.240 20.019 1.00 0.00 N ATOM 901 CA LEU A 58 18.101 -11.401 18.590 1.00 0.00 C ATOM 902 C LEU A 58 19.591 -11.332 18.325 1.00 0.00 C ATOM 903 O LEU A 58 20.243 -10.355 18.686 1.00 0.00 O ATOM 904 CB LEU A 58 17.375 -10.299 17.729 1.00 0.00 C ATOM 905 CG LEU A 58 15.822 -10.281 17.692 1.00 0.00 C ATOM 906 CD1 LEU A 58 15.289 -11.599 17.189 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.249 -9.970 19.050 1.00 0.00 C ATOM 0 H LEU A 58 17.885 -10.273 20.343 1.00 0.00 H new ATOM 0 HA LEU A 58 17.697 -12.370 18.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.708 -9.326 18.090 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.728 -10.396 16.703 1.00 0.00 H new ATOM 0 HG LEU A 58 15.513 -9.493 17.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.200 -11.568 17.170 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.664 -11.783 16.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.617 -12.401 17.851 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.161 -9.964 18.993 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.571 -10.729 19.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.600 -8.992 19.378 1.00 0.00 H new ATOM 919 N ILE A 59 20.129 -12.372 17.739 1.00 0.00 N ATOM 920 CA ILE A 59 21.524 -12.419 17.355 1.00 0.00 C ATOM 921 C ILE A 59 21.646 -12.392 15.838 1.00 0.00 C ATOM 922 O ILE A 59 21.082 -13.250 15.140 1.00 0.00 O ATOM 923 CB ILE A 59 22.264 -13.690 17.942 1.00 0.00 C ATOM 924 CG1 ILE A 59 22.501 -13.594 19.474 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.587 -13.962 17.227 1.00 0.00 C ATOM 926 CD1 ILE A 59 21.269 -13.497 20.345 1.00 0.00 C ATOM 0 H ILE A 59 19.609 -13.220 17.511 1.00 0.00 H new ATOM 0 HA ILE A 59 22.011 -11.539 17.777 1.00 0.00 H new ATOM 0 HB ILE A 59 21.591 -14.528 17.761 1.00 0.00 H new ATOM 0 HG12 ILE A 59 23.071 -14.469 19.786 1.00 0.00 H new ATOM 0 HG13 ILE A 59 23.125 -12.722 19.668 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.061 -14.842 17.661 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.399 -14.137 16.168 1.00 0.00 H new ATOM 0 HG23 ILE A 59 24.246 -13.101 17.341 1.00 0.00 H new ATOM 0 HD11 ILE A 59 21.567 -13.436 21.392 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.703 -12.605 20.076 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.648 -14.380 20.196 1.00 0.00 H new ATOM 938 N SER A 60 22.353 -11.413 15.338 1.00 0.00 N ATOM 939 CA SER A 60 22.598 -11.286 13.936 1.00 0.00 C ATOM 940 C SER A 60 24.080 -11.064 13.743 1.00 0.00 C ATOM 941 O SER A 60 24.683 -10.264 14.461 1.00 0.00 O ATOM 942 CB SER A 60 21.791 -10.122 13.327 1.00 0.00 C ATOM 943 OG SER A 60 21.924 -10.081 11.903 1.00 0.00 O ATOM 0 H SER A 60 22.777 -10.677 15.903 1.00 0.00 H new ATOM 0 HA SER A 60 22.279 -12.194 13.424 1.00 0.00 H new ATOM 0 HB2 SER A 60 20.739 -10.229 13.592 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.133 -9.179 13.753 1.00 0.00 H new ATOM 0 HG SER A 60 21.400 -9.334 11.547 1.00 0.00 H new ATOM 949 N ALA A 61 24.674 -11.833 12.836 1.00 0.00 N ATOM 950 CA ALA A 61 26.108 -11.747 12.513 1.00 0.00 C ATOM 951 C ALA A 61 26.978 -12.215 13.682 1.00 0.00 C ATOM 952 O ALA A 61 28.202 -12.019 13.694 1.00 0.00 O ATOM 953 CB ALA A 61 26.496 -10.338 12.046 1.00 0.00 C ATOM 0 H ALA A 61 24.176 -12.541 12.296 1.00 0.00 H new ATOM 0 HA ALA A 61 26.295 -12.426 11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.561 -10.311 11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 61 25.926 -10.081 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.277 -9.620 12.836 1.00 0.00 H new ATOM 959 N GLY A 62 26.347 -12.884 14.622 1.00 0.00 N ATOM 960 CA GLY A 62 27.035 -13.383 15.787 1.00 0.00 C ATOM 961 C GLY A 62 26.994 -12.421 16.950 1.00 0.00 C ATOM 962 O GLY A 62 27.665 -12.638 17.968 1.00 0.00 O ATOM 0 H GLY A 62 25.349 -13.095 14.599 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.588 -14.330 16.089 1.00 0.00 H new ATOM 0 HA3 GLY A 62 28.074 -13.589 15.529 1.00 0.00 H new ATOM 966 N LYS A 63 26.198 -11.383 16.832 1.00 0.00 N ATOM 967 CA LYS A 63 26.129 -10.378 17.854 1.00 0.00 C ATOM 968 C LYS A 63 24.672 -10.041 18.149 1.00 0.00 C ATOM 969 O LYS A 63 23.842 -9.985 17.233 1.00 0.00 O ATOM 970 CB LYS A 63 26.910 -9.141 17.392 1.00 0.00 C ATOM 971 CG LYS A 63 27.007 -8.011 18.400 1.00 0.00 C ATOM 972 CD LYS A 63 27.840 -6.871 17.839 1.00 0.00 C ATOM 973 CE LYS A 63 27.995 -5.736 18.833 1.00 0.00 C ATOM 974 NZ LYS A 63 26.699 -5.150 19.217 1.00 0.00 N ATOM 0 H LYS A 63 25.588 -11.217 16.031 1.00 0.00 H new ATOM 0 HA LYS A 63 26.578 -10.746 18.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.920 -9.451 17.123 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.442 -8.756 16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.009 -7.652 18.650 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.455 -8.377 19.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.825 -7.245 17.560 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.373 -6.494 16.929 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.504 -6.103 19.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.628 -4.961 18.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.811 -4.127 19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.005 -5.316 18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.365 -5.593 20.096 1.00 0.00 H new ATOM 988 N VAL A 64 24.357 -9.852 19.414 1.00 0.00 N ATOM 989 CA VAL A 64 23.008 -9.517 19.816 1.00 0.00 C ATOM 990 C VAL A 64 22.725 -8.043 19.512 1.00 0.00 C ATOM 991 O VAL A 64 23.562 -7.168 19.778 1.00 0.00 O ATOM 992 CB VAL A 64 22.739 -9.852 21.333 1.00 0.00 C ATOM 993 CG1 VAL A 64 23.657 -9.078 22.272 1.00 0.00 C ATOM 994 CG2 VAL A 64 21.275 -9.625 21.706 1.00 0.00 C ATOM 0 H VAL A 64 25.021 -9.925 20.184 1.00 0.00 H new ATOM 0 HA VAL A 64 22.321 -10.135 19.237 1.00 0.00 H new ATOM 0 HB VAL A 64 22.965 -10.911 21.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 23.431 -9.345 23.304 1.00 0.00 H new ATOM 0 HG12 VAL A 64 24.695 -9.326 22.052 1.00 0.00 H new ATOM 0 HG13 VAL A 64 23.502 -8.008 22.132 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.126 -9.866 22.759 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.013 -8.581 21.532 1.00 0.00 H new ATOM 0 HG23 VAL A 64 20.640 -10.266 21.094 1.00 0.00 H new ATOM 1004 N LEU A 65 21.585 -7.774 18.927 1.00 0.00 N ATOM 1005 CA LEU A 65 21.210 -6.445 18.601 1.00 0.00 C ATOM 1006 C LEU A 65 20.327 -5.820 19.657 1.00 0.00 C ATOM 1007 O LEU A 65 19.299 -6.377 20.048 1.00 0.00 O ATOM 1008 CB LEU A 65 20.646 -6.284 17.169 1.00 0.00 C ATOM 1009 CG LEU A 65 19.625 -7.297 16.622 1.00 0.00 C ATOM 1010 CD1 LEU A 65 18.981 -6.728 15.380 1.00 0.00 C ATOM 1011 CD2 LEU A 65 20.319 -8.580 16.218 1.00 0.00 C ATOM 0 H LEU A 65 20.897 -8.481 18.668 1.00 0.00 H new ATOM 0 HA LEU A 65 22.139 -5.876 18.597 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.186 -5.298 17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.495 -6.279 16.486 1.00 0.00 H new ATOM 0 HG LEU A 65 18.888 -7.496 17.400 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.256 -7.441 14.987 1.00 0.00 H new ATOM 0 HD12 LEU A 65 18.475 -5.795 15.627 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.747 -6.537 14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.583 -9.286 15.833 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.056 -8.367 15.444 1.00 0.00 H new ATOM 0 HD23 LEU A 65 20.818 -9.012 17.085 1.00 0.00 H new ATOM 1023 N GLU A 66 20.766 -4.672 20.129 1.00 0.00 N ATOM 1024 CA GLU A 66 20.100 -3.936 21.176 1.00 0.00 C ATOM 1025 C GLU A 66 18.963 -3.080 20.614 1.00 0.00 C ATOM 1026 O GLU A 66 19.036 -2.603 19.481 1.00 0.00 O ATOM 1027 CB GLU A 66 21.122 -3.043 21.880 1.00 0.00 C ATOM 1028 CG GLU A 66 20.569 -2.248 23.040 1.00 0.00 C ATOM 1029 CD GLU A 66 21.595 -1.368 23.668 1.00 0.00 C ATOM 1030 OE1 GLU A 66 22.360 -1.858 24.511 1.00 0.00 O ATOM 1031 OE2 GLU A 66 21.650 -0.181 23.338 1.00 0.00 O ATOM 0 H GLU A 66 21.613 -4.218 19.787 1.00 0.00 H new ATOM 0 HA GLU A 66 19.667 -4.644 21.883 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.941 -3.665 22.241 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.544 -2.351 21.151 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.735 -1.638 22.694 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.174 -2.933 23.790 1.00 0.00 H new ATOM 1038 N ASN A 67 17.940 -2.872 21.441 1.00 0.00 N ATOM 1039 CA ASN A 67 16.730 -2.080 21.119 1.00 0.00 C ATOM 1040 C ASN A 67 17.066 -0.685 20.575 1.00 0.00 C ATOM 1041 O ASN A 67 16.309 -0.124 19.769 1.00 0.00 O ATOM 1042 CB ASN A 67 15.877 -1.889 22.391 1.00 0.00 C ATOM 1043 CG ASN A 67 15.291 -3.169 22.984 1.00 0.00 C ATOM 1044 OD1 ASN A 67 15.827 -4.270 22.823 1.00 0.00 O ATOM 1045 ND2 ASN A 67 14.215 -3.025 23.716 1.00 0.00 N ATOM 0 H ASN A 67 17.919 -3.257 22.385 1.00 0.00 H new ATOM 0 HA ASN A 67 16.191 -2.636 20.352 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.491 -1.404 23.150 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.058 -1.207 22.160 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.796 -3.836 24.172 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.795 -2.102 23.830 1.00 0.00 H new ATOM 1052 N SER A 68 18.192 -0.136 21.017 1.00 0.00 N ATOM 1053 CA SER A 68 18.603 1.218 20.659 1.00 0.00 C ATOM 1054 C SER A 68 19.222 1.299 19.254 1.00 0.00 C ATOM 1055 O SER A 68 19.481 2.384 18.739 1.00 0.00 O ATOM 1056 CB SER A 68 19.588 1.736 21.699 1.00 0.00 C ATOM 1057 OG SER A 68 19.051 1.612 23.016 1.00 0.00 O ATOM 0 H SER A 68 18.846 -0.617 21.634 1.00 0.00 H new ATOM 0 HA SER A 68 17.709 1.841 20.642 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.523 1.180 21.629 1.00 0.00 H new ATOM 0 HB3 SER A 68 19.823 2.781 21.495 1.00 0.00 H new ATOM 0 HG SER A 68 19.636 1.040 23.555 1.00 0.00 H new ATOM 1063 N LYS A 69 19.441 0.174 18.650 1.00 0.00 N ATOM 1064 CA LYS A 69 20.028 0.106 17.348 1.00 0.00 C ATOM 1065 C LYS A 69 18.966 -0.059 16.283 1.00 0.00 C ATOM 1066 O LYS A 69 17.791 -0.314 16.596 1.00 0.00 O ATOM 1067 CB LYS A 69 21.067 -0.988 17.287 1.00 0.00 C ATOM 1068 CG LYS A 69 22.247 -0.732 18.202 1.00 0.00 C ATOM 1069 CD LYS A 69 23.318 -1.788 18.058 1.00 0.00 C ATOM 1070 CE LYS A 69 24.487 -1.507 18.991 1.00 0.00 C ATOM 1071 NZ LYS A 69 25.107 -0.189 18.735 1.00 0.00 N ATOM 0 H LYS A 69 19.214 -0.736 19.052 1.00 0.00 H new ATOM 0 HA LYS A 69 20.537 1.049 17.148 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.604 -1.937 17.556 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.423 -1.087 16.262 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.672 0.247 17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 69 21.904 -0.703 19.236 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.899 -2.769 18.279 1.00 0.00 H new ATOM 0 HD3 LYS A 69 23.670 -1.817 17.027 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.142 -1.549 20.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 25.238 -2.288 18.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.042 -0.151 19.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.214 -0.049 17.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.502 0.561 19.125 1.00 0.00 H new ATOM 1085 N THR A 70 19.342 0.122 15.047 1.00 0.00 N ATOM 1086 CA THR A 70 18.407 0.032 13.973 1.00 0.00 C ATOM 1087 C THR A 70 18.656 -1.295 13.230 1.00 0.00 C ATOM 1088 O THR A 70 19.678 -1.950 13.463 1.00 0.00 O ATOM 1089 CB THR A 70 18.609 1.227 13.026 1.00 0.00 C ATOM 1090 OG1 THR A 70 18.846 2.407 13.819 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.364 1.479 12.212 1.00 0.00 C ATOM 0 H THR A 70 20.298 0.334 14.763 1.00 0.00 H new ATOM 0 HA THR A 70 17.383 0.055 14.346 1.00 0.00 H new ATOM 0 HB THR A 70 19.446 1.006 12.364 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.978 3.177 13.228 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.529 2.328 11.549 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.132 0.595 11.618 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.530 1.696 12.880 1.00 0.00 H new ATOM 1099 N VAL A 71 17.742 -1.700 12.357 1.00 0.00 N ATOM 1100 CA VAL A 71 17.920 -2.950 11.620 1.00 0.00 C ATOM 1101 C VAL A 71 19.036 -2.783 10.582 1.00 0.00 C ATOM 1102 O VAL A 71 19.822 -3.709 10.318 1.00 0.00 O ATOM 1103 CB VAL A 71 16.591 -3.419 10.944 1.00 0.00 C ATOM 1104 CG1 VAL A 71 16.806 -4.673 10.127 1.00 0.00 C ATOM 1105 CG2 VAL A 71 15.525 -3.679 11.995 1.00 0.00 C ATOM 0 H VAL A 71 16.883 -1.193 12.142 1.00 0.00 H new ATOM 0 HA VAL A 71 18.206 -3.727 12.329 1.00 0.00 H new ATOM 0 HB VAL A 71 16.260 -2.621 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.864 -4.975 9.669 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.542 -4.478 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.167 -5.472 10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.606 -4.005 11.508 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.869 -4.456 12.678 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.334 -2.763 12.554 1.00 0.00 H new ATOM 1115 N LYS A 72 19.117 -1.577 10.043 1.00 0.00 N ATOM 1116 CA LYS A 72 20.118 -1.193 9.053 1.00 0.00 C ATOM 1117 C LYS A 72 21.531 -1.400 9.610 1.00 0.00 C ATOM 1118 O LYS A 72 22.445 -1.757 8.871 1.00 0.00 O ATOM 1119 CB LYS A 72 19.915 0.276 8.679 1.00 0.00 C ATOM 1120 CG LYS A 72 20.731 0.755 7.495 1.00 0.00 C ATOM 1121 CD LYS A 72 20.412 2.202 7.184 1.00 0.00 C ATOM 1122 CE LYS A 72 21.157 2.691 5.959 1.00 0.00 C ATOM 1123 NZ LYS A 72 20.855 4.112 5.680 1.00 0.00 N ATOM 0 H LYS A 72 18.477 -0.820 10.285 1.00 0.00 H new ATOM 0 HA LYS A 72 20.003 -1.818 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.859 0.437 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.161 0.893 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.794 0.649 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 72 20.519 0.134 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.339 2.312 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.673 2.824 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.229 2.567 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.884 2.082 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.379 4.419 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.835 4.224 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.139 4.694 6.494 1.00 0.00 H new ATOM 1137 N ASP A 73 21.687 -1.192 10.929 1.00 0.00 N ATOM 1138 CA ASP A 73 22.954 -1.371 11.626 1.00 0.00 C ATOM 1139 C ASP A 73 23.532 -2.752 11.408 1.00 0.00 C ATOM 1140 O ASP A 73 24.748 -2.911 11.270 1.00 0.00 O ATOM 1141 CB ASP A 73 22.784 -1.133 13.132 1.00 0.00 C ATOM 1142 CG ASP A 73 22.675 0.310 13.528 1.00 0.00 C ATOM 1143 OD1 ASP A 73 23.727 0.940 13.781 1.00 0.00 O ATOM 1144 OD2 ASP A 73 21.561 0.825 13.633 1.00 0.00 O ATOM 0 H ASP A 73 20.926 -0.893 11.538 1.00 0.00 H new ATOM 0 HA ASP A 73 23.645 -0.638 11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.891 -1.658 13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.632 -1.577 13.655 1.00 0.00 H new ATOM 1149 N TYR A 74 22.678 -3.749 11.381 1.00 0.00 N ATOM 1150 CA TYR A 74 23.125 -5.093 11.210 1.00 0.00 C ATOM 1151 C TYR A 74 23.107 -5.558 9.768 1.00 0.00 C ATOM 1152 O TYR A 74 23.706 -6.581 9.440 1.00 0.00 O ATOM 1153 CB TYR A 74 22.440 -6.041 12.183 1.00 0.00 C ATOM 1154 CG TYR A 74 22.972 -5.877 13.598 1.00 0.00 C ATOM 1155 CD1 TYR A 74 22.609 -4.792 14.386 1.00 0.00 C ATOM 1156 CD2 TYR A 74 23.874 -6.794 14.124 1.00 0.00 C ATOM 1157 CE1 TYR A 74 23.123 -4.630 15.659 1.00 0.00 C ATOM 1158 CE2 TYR A 74 24.395 -6.637 15.393 1.00 0.00 C ATOM 1159 CZ TYR A 74 24.017 -5.556 16.157 1.00 0.00 C ATOM 1160 OH TYR A 74 24.538 -5.398 17.426 1.00 0.00 O ATOM 0 H TYR A 74 21.668 -3.644 11.477 1.00 0.00 H new ATOM 0 HA TYR A 74 24.183 -5.109 11.472 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.366 -5.857 12.175 1.00 0.00 H new ATOM 0 HB3 TYR A 74 22.590 -7.070 11.855 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.914 -4.063 13.998 1.00 0.00 H new ATOM 0 HD2 TYR A 74 24.173 -7.645 13.530 1.00 0.00 H new ATOM 0 HE1 TYR A 74 22.827 -3.783 16.261 1.00 0.00 H new ATOM 0 HE2 TYR A 74 25.096 -7.359 15.785 1.00 0.00 H new ATOM 0 HH TYR A 74 24.198 -6.108 18.010 1.00 0.00 H new ATOM 1170 N ARG A 75 22.437 -4.818 8.901 1.00 0.00 N ATOM 1171 CA ARG A 75 22.520 -5.077 7.495 1.00 0.00 C ATOM 1172 C ARG A 75 23.837 -4.559 6.963 1.00 0.00 C ATOM 1173 O ARG A 75 24.499 -3.741 7.609 1.00 0.00 O ATOM 1174 CB ARG A 75 21.381 -4.418 6.728 1.00 0.00 C ATOM 1175 CG ARG A 75 20.206 -5.318 6.398 1.00 0.00 C ATOM 1176 CD ARG A 75 19.416 -5.755 7.606 1.00 0.00 C ATOM 1177 NE ARG A 75 18.339 -6.699 7.230 1.00 0.00 N ATOM 1178 CZ ARG A 75 17.069 -6.348 6.919 1.00 0.00 C ATOM 1179 NH1 ARG A 75 16.749 -5.071 6.706 1.00 0.00 N ATOM 1180 NH2 ARG A 75 16.145 -7.289 6.729 1.00 0.00 N ATOM 0 H ARG A 75 21.833 -4.037 9.157 1.00 0.00 H new ATOM 0 HA ARG A 75 22.446 -6.155 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.016 -3.573 7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.779 -4.015 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.541 -4.795 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.573 -6.202 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.082 -6.228 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 75 18.984 -4.883 8.096 1.00 0.00 H new ATOM 0 HE ARG A 75 18.572 -7.692 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.464 -4.347 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.789 -4.818 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 75 16.394 -8.274 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.188 -7.024 6.495 1.00 0.00 H new ATOM 1306 N VAL A 85 18.023 -10.523 2.898 1.00 0.00 N ATOM 1307 CA VAL A 85 17.250 -11.259 3.865 1.00 0.00 C ATOM 1308 C VAL A 85 18.164 -11.634 5.010 1.00 0.00 C ATOM 1309 O VAL A 85 19.326 -12.008 4.792 1.00 0.00 O ATOM 1310 CB VAL A 85 16.613 -12.533 3.239 1.00 0.00 C ATOM 1311 CG1 VAL A 85 15.796 -13.318 4.265 1.00 0.00 C ATOM 1312 CG2 VAL A 85 15.743 -12.150 2.057 1.00 0.00 C ATOM 0 HA VAL A 85 16.429 -10.636 4.220 1.00 0.00 H new ATOM 0 HB VAL A 85 17.422 -13.179 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.367 -14.200 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.443 -13.626 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.995 -12.688 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 85 15.301 -13.048 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.951 -11.480 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.351 -11.647 1.305 1.00 0.00 H new ATOM 1322 N THR A 86 17.678 -11.508 6.207 1.00 0.00 N ATOM 1323 CA THR A 86 18.486 -11.741 7.364 1.00 0.00 C ATOM 1324 C THR A 86 17.858 -12.805 8.268 1.00 0.00 C ATOM 1325 O THR A 86 16.676 -12.726 8.607 1.00 0.00 O ATOM 1326 CB THR A 86 18.639 -10.422 8.153 1.00 0.00 C ATOM 1327 OG1 THR A 86 19.104 -9.392 7.257 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.640 -10.578 9.291 1.00 0.00 C ATOM 0 H THR A 86 16.714 -11.242 6.409 1.00 0.00 H new ATOM 0 HA THR A 86 19.462 -12.100 7.038 1.00 0.00 H new ATOM 0 HB THR A 86 17.671 -10.156 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 86 19.875 -8.936 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.728 -9.635 9.830 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.296 -11.355 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.612 -10.856 8.885 1.00 0.00 H new ATOM 1336 N THR A 87 18.630 -13.802 8.618 1.00 0.00 N ATOM 1337 CA THR A 87 18.198 -14.779 9.564 1.00 0.00 C ATOM 1338 C THR A 87 18.769 -14.406 10.919 1.00 0.00 C ATOM 1339 O THR A 87 19.994 -14.319 11.089 1.00 0.00 O ATOM 1340 CB THR A 87 18.676 -16.198 9.172 1.00 0.00 C ATOM 1341 OG1 THR A 87 18.147 -16.546 7.883 1.00 0.00 O ATOM 1342 CG2 THR A 87 18.218 -17.235 10.201 1.00 0.00 C ATOM 0 H THR A 87 19.570 -13.953 8.253 1.00 0.00 H new ATOM 0 HA THR A 87 17.108 -14.794 9.589 1.00 0.00 H new ATOM 0 HB THR A 87 19.766 -16.195 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.452 -17.444 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 87 18.567 -18.223 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.631 -16.985 11.178 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.129 -17.236 10.257 1.00 0.00 H new ATOM 1350 N MET A 88 17.911 -14.151 11.861 1.00 0.00 N ATOM 1351 CA MET A 88 18.352 -13.805 13.179 1.00 0.00 C ATOM 1352 C MET A 88 18.150 -14.961 14.097 1.00 0.00 C ATOM 1353 O MET A 88 17.119 -15.627 14.054 1.00 0.00 O ATOM 1354 CB MET A 88 17.678 -12.535 13.694 1.00 0.00 C ATOM 1355 CG MET A 88 18.053 -11.308 12.889 1.00 0.00 C ATOM 1356 SD MET A 88 17.316 -9.792 13.505 1.00 0.00 S ATOM 1357 CE MET A 88 18.027 -8.604 12.368 1.00 0.00 C ATOM 0 H MET A 88 16.898 -14.176 11.741 1.00 0.00 H new ATOM 0 HA MET A 88 19.418 -13.581 13.139 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.596 -12.666 13.667 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.954 -12.379 14.737 1.00 0.00 H new ATOM 0 HG2 MET A 88 19.138 -11.201 12.889 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.748 -11.456 11.853 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.575 -7.626 12.534 1.00 0.00 H new ATOM 0 HE2 MET A 88 19.102 -8.539 12.535 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.837 -8.923 11.343 1.00 0.00 H new ATOM 1367 N HIS A 89 19.136 -15.223 14.893 1.00 0.00 N ATOM 1368 CA HIS A 89 19.100 -16.342 15.791 1.00 0.00 C ATOM 1369 C HIS A 89 18.522 -15.908 17.104 1.00 0.00 C ATOM 1370 O HIS A 89 19.006 -14.958 17.718 1.00 0.00 O ATOM 1371 CB HIS A 89 20.502 -16.949 15.968 1.00 0.00 C ATOM 1372 CG HIS A 89 21.098 -17.450 14.681 1.00 0.00 C ATOM 1373 ND1 HIS A 89 22.273 -16.971 14.148 1.00 0.00 N ATOM 1374 CD2 HIS A 89 20.670 -18.403 13.822 1.00 0.00 C ATOM 1375 CE1 HIS A 89 22.531 -17.600 13.024 1.00 0.00 C ATOM 1376 NE2 HIS A 89 21.575 -18.470 12.806 1.00 0.00 N ATOM 0 H HIS A 89 19.991 -14.670 14.942 1.00 0.00 H new ATOM 0 HA HIS A 89 18.464 -17.120 15.369 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.164 -16.198 16.399 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.447 -17.772 16.680 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.776 -19.000 13.923 1.00 0.00 H new ATOM 0 HE1 HIS A 89 23.386 -17.429 12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.518 -19.097 12.004 1.00 0.00 H new ATOM 1385 N VAL A 90 17.484 -16.571 17.512 1.00 0.00 N ATOM 1386 CA VAL A 90 16.792 -16.225 18.723 1.00 0.00 C ATOM 1387 C VAL A 90 17.209 -17.128 19.837 1.00 0.00 C ATOM 1388 O VAL A 90 17.084 -18.364 19.762 1.00 0.00 O ATOM 1389 CB VAL A 90 15.248 -16.274 18.555 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.536 -15.856 19.836 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.803 -15.408 17.391 1.00 0.00 C ATOM 0 H VAL A 90 17.089 -17.370 17.016 1.00 0.00 H new ATOM 0 HA VAL A 90 17.065 -15.197 18.963 1.00 0.00 H new ATOM 0 HB VAL A 90 14.973 -17.307 18.341 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.458 -15.901 19.684 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.817 -16.530 20.645 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.823 -14.837 20.096 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.719 -15.459 17.294 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.103 -14.376 17.570 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.267 -15.767 16.472 1.00 0.00 H new ATOM 1401 N ILE A 91 17.681 -16.514 20.853 1.00 0.00 N ATOM 1402 CA ILE A 91 18.091 -17.176 22.026 1.00 0.00 C ATOM 1403 C ILE A 91 16.952 -17.088 23.003 1.00 0.00 C ATOM 1404 O ILE A 91 16.396 -16.008 23.240 1.00 0.00 O ATOM 1405 CB ILE A 91 19.365 -16.522 22.586 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.548 -16.710 21.616 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.714 -17.019 23.992 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.904 -18.153 21.328 1.00 0.00 C ATOM 0 H ILE A 91 17.796 -15.501 20.891 1.00 0.00 H new ATOM 0 HA ILE A 91 18.332 -18.220 21.828 1.00 0.00 H new ATOM 0 HB ILE A 91 19.161 -15.455 22.678 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.312 -16.213 20.675 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.423 -16.209 22.030 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.622 -16.524 24.338 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.894 -16.790 24.673 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.875 -18.097 23.967 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.746 -18.189 20.637 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.176 -18.653 22.258 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.047 -18.657 20.882 1.00 0.00 H new ATOM 1420 N ILE A 92 16.603 -18.209 23.541 1.00 0.00 N ATOM 1421 CA ILE A 92 15.443 -18.332 24.351 1.00 0.00 C ATOM 1422 C ILE A 92 15.745 -18.031 25.798 1.00 0.00 C ATOM 1423 O ILE A 92 16.558 -18.717 26.445 1.00 0.00 O ATOM 1424 CB ILE A 92 14.852 -19.762 24.212 1.00 0.00 C ATOM 1425 CG1 ILE A 92 14.464 -20.046 22.748 1.00 0.00 C ATOM 1426 CG2 ILE A 92 13.676 -19.990 25.151 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.454 -19.077 22.167 1.00 0.00 C ATOM 0 H ILE A 92 17.126 -19.077 23.427 1.00 0.00 H new ATOM 0 HA ILE A 92 14.710 -17.602 24.006 1.00 0.00 H new ATOM 0 HB ILE A 92 15.628 -20.469 24.506 1.00 0.00 H new ATOM 0 HG12 ILE A 92 15.365 -20.023 22.135 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.060 -21.056 22.682 1.00 0.00 H new ATOM 0 HG21 ILE A 92 13.296 -21.003 25.019 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.003 -19.857 26.182 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.886 -19.273 24.926 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.239 -19.351 21.134 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.535 -19.115 22.752 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.861 -18.066 22.197 1.00 0.00 H new ATOM 1439 N GLN A 93 15.135 -16.988 26.288 1.00 0.00 N ATOM 1440 CA GLN A 93 15.209 -16.647 27.660 1.00 0.00 C ATOM 1441 C GLN A 93 13.803 -16.755 28.224 1.00 0.00 C ATOM 1442 O GLN A 93 12.912 -16.005 27.840 1.00 0.00 O ATOM 1443 CB GLN A 93 15.777 -15.238 27.815 1.00 0.00 C ATOM 1444 CG GLN A 93 15.967 -14.798 29.246 1.00 0.00 C ATOM 1445 CD GLN A 93 16.628 -13.441 29.351 1.00 0.00 C ATOM 1446 OE1 GLN A 93 16.474 -12.583 28.481 1.00 0.00 O ATOM 1447 NE2 GLN A 93 17.376 -13.239 30.397 1.00 0.00 N ATOM 0 H GLN A 93 14.568 -16.350 25.729 1.00 0.00 H new ATOM 0 HA GLN A 93 15.874 -17.317 28.205 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.737 -15.188 27.301 1.00 0.00 H new ATOM 0 HB3 GLN A 93 15.111 -14.534 27.316 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.998 -14.767 29.745 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.573 -15.536 29.772 1.00 0.00 H new ATOM 0 HE21 GLN A 93 17.481 -13.972 31.098 1.00 0.00 H new ATOM 0 HE22 GLN A 93 17.857 -12.347 30.515 1.00 0.00 H new ATOM 1456 N ALA A 94 13.601 -17.731 29.073 1.00 0.00 N ATOM 1457 CA ALA A 94 12.301 -17.986 29.643 1.00 0.00 C ATOM 1458 C ALA A 94 12.070 -17.147 30.893 1.00 0.00 C ATOM 1459 O ALA A 94 12.853 -17.223 31.850 1.00 0.00 O ATOM 1460 CB ALA A 94 12.134 -19.468 29.946 1.00 0.00 C ATOM 0 H ALA A 94 14.331 -18.370 29.388 1.00 0.00 H new ATOM 0 HA ALA A 94 11.549 -17.697 28.909 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.148 -19.643 30.376 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.235 -20.041 29.025 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.899 -19.783 30.655 1.00 0.00 H new