USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -135:sc= -0.0583 (180deg=-1.55) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 13 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.02) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 0.716 (180deg=0.265) USER MOD Single : A 19 HIS : no HD1:sc= 0.0313 K(o=0.031,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.162 (180deg=-0.349) USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 0.384 (180deg=-0.195) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -16.5! C(o=-16!,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 40:sc= -2.71! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.66! X(o=-1.7!,f=-1.6) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0066) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= -0.281 (180deg=-1.44!) USER MOD Single : A 44 MET CE :methyl -153:sc= -0.821 (180deg=-2.24) USER MOD Single : A 46 THR OG1 : rot 170:sc= -0.264 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= -0.358 (180deg=-1.47!) USER MOD Single : A 54 MET CE :methyl 154:sc= -0.869 (180deg=-2.14) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -4.87! K(o=-4.9!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -5.548 3.558 -4.507 1.00 0.00 N ATOM 105 CA LYS A 8 -5.947 2.191 -4.191 1.00 0.00 C ATOM 106 C LYS A 8 -6.078 2.007 -2.683 1.00 0.00 C ATOM 107 O LYS A 8 -5.289 2.552 -1.912 1.00 0.00 O ATOM 108 CB LYS A 8 -4.909 1.202 -4.733 1.00 0.00 C ATOM 109 CG LYS A 8 -5.468 -0.237 -4.681 1.00 0.00 C ATOM 110 CD LYS A 8 -6.262 -0.553 -5.965 1.00 0.00 C ATOM 111 CE LYS A 8 -5.314 -1.024 -7.075 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.113 -1.449 -8.259 1.00 0.00 N ATOM 0 HA LYS A 8 -6.913 2.000 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.649 1.462 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.993 1.266 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.649 -0.948 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.113 -0.352 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.005 -1.324 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.804 0.334 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.632 -0.220 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.702 -1.853 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.473 -1.769 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.746 -2.228 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.679 -0.647 -8.602 1.00 0.00 H new ATOM 126 N THR A 9 -7.076 1.232 -2.270 1.00 0.00 N ATOM 127 CA THR A 9 -7.299 0.977 -0.851 1.00 0.00 C ATOM 128 C THR A 9 -8.017 -0.355 -0.654 1.00 0.00 C ATOM 129 O THR A 9 -9.192 -0.493 -0.990 1.00 0.00 O ATOM 130 CB THR A 9 -8.138 2.104 -0.243 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.565 3.357 -0.588 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.170 1.955 1.278 1.00 0.00 C ATOM 0 H THR A 9 -7.740 0.772 -2.893 1.00 0.00 H new ATOM 0 HA THR A 9 -6.331 0.934 -0.352 1.00 0.00 H new ATOM 0 HB THR A 9 -9.155 2.051 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.102 4.080 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.768 2.758 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.611 0.993 1.540 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.154 2.007 1.670 1.00 0.00 H new ATOM 140 N TYR A 10 -7.302 -1.332 -0.096 1.00 0.00 N ATOM 141 CA TYR A 10 -7.875 -2.655 0.157 1.00 0.00 C ATOM 142 C TYR A 10 -8.190 -2.813 1.642 1.00 0.00 C ATOM 143 O TYR A 10 -7.284 -2.896 2.472 1.00 0.00 O ATOM 144 CB TYR A 10 -6.890 -3.750 -0.270 1.00 0.00 C ATOM 145 CG TYR A 10 -6.834 -3.845 -1.781 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.976 -4.228 -2.499 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.645 -3.552 -2.467 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.930 -4.316 -3.896 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.602 -3.641 -3.864 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.744 -4.023 -4.578 1.00 0.00 C ATOM 151 OH TYR A 10 -6.700 -4.109 -5.954 1.00 0.00 O ATOM 0 H TYR A 10 -6.328 -1.233 0.189 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.793 -2.751 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.898 -3.531 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.196 -4.708 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.892 -4.455 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.763 -3.258 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.811 -4.610 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.687 -3.415 -4.391 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.803 -3.872 -6.268 1.00 0.00 H new ATOM 161 N ASP A 11 -9.476 -2.845 1.973 1.00 0.00 N ATOM 162 CA ASP A 11 -9.891 -2.985 3.363 1.00 0.00 C ATOM 163 C ASP A 11 -9.541 -4.366 3.901 1.00 0.00 C ATOM 164 O ASP A 11 -10.287 -5.326 3.713 1.00 0.00 O ATOM 165 CB ASP A 11 -11.396 -2.755 3.483 1.00 0.00 C ATOM 166 CG ASP A 11 -11.806 -1.546 2.648 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.040 -0.599 2.597 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.881 -1.587 2.074 1.00 0.00 O ATOM 0 H ASP A 11 -10.243 -2.777 1.304 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.359 -2.239 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.936 -3.640 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.666 -2.595 4.527 1.00 0.00 H new ATOM 173 N LEU A 12 -8.403 -4.454 4.580 1.00 0.00 N ATOM 174 CA LEU A 12 -7.945 -5.719 5.155 1.00 0.00 C ATOM 175 C LEU A 12 -8.793 -6.077 6.376 1.00 0.00 C ATOM 176 O LEU A 12 -9.472 -5.223 6.948 1.00 0.00 O ATOM 177 CB LEU A 12 -6.448 -5.586 5.545 1.00 0.00 C ATOM 178 CG LEU A 12 -5.534 -6.405 4.599 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.869 -6.123 3.118 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.052 -6.055 4.877 1.00 0.00 C ATOM 0 H LEU A 12 -7.778 -3.665 4.747 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.053 -6.518 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.156 -4.536 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.308 -5.926 6.571 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.704 -7.465 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.212 -6.712 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.906 -6.395 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.726 -5.063 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.411 -6.632 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.891 -4.991 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.809 -6.295 5.912 1.00 0.00 H new ATOM 192 N GLN A 13 -8.745 -7.348 6.765 1.00 0.00 N ATOM 193 CA GLN A 13 -9.509 -7.816 7.915 1.00 0.00 C ATOM 194 C GLN A 13 -8.807 -7.438 9.215 1.00 0.00 C ATOM 195 O GLN A 13 -9.415 -7.447 10.285 1.00 0.00 O ATOM 196 CB GLN A 13 -9.679 -9.335 7.846 1.00 0.00 C ATOM 197 CG GLN A 13 -8.305 -10.004 7.873 1.00 0.00 C ATOM 198 CD GLN A 13 -8.450 -11.503 7.638 1.00 0.00 C ATOM 199 OE1 GLN A 13 -7.764 -12.303 8.275 1.00 0.00 O ATOM 200 NE2 GLN A 13 -9.310 -11.936 6.757 1.00 0.00 N ATOM 0 H GLN A 13 -8.189 -8.068 6.304 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.489 -7.340 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.281 -9.683 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.212 -9.611 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.664 -9.568 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.822 -9.823 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.878 -11.273 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.414 -12.938 6.596 1.00 0.00 H new ATOM 209 N ASP A 14 -7.524 -7.105 9.114 1.00 0.00 N ATOM 210 CA ASP A 14 -6.747 -6.724 10.289 1.00 0.00 C ATOM 211 C ASP A 14 -6.994 -5.260 10.639 1.00 0.00 C ATOM 212 O ASP A 14 -6.256 -4.666 11.424 1.00 0.00 O ATOM 213 CB ASP A 14 -5.256 -6.940 10.021 1.00 0.00 C ATOM 214 CG ASP A 14 -4.979 -8.420 9.784 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.627 -9.234 10.423 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.123 -8.720 8.968 1.00 0.00 O ATOM 0 H ASP A 14 -7.003 -7.091 8.237 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.060 -7.346 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.946 -6.360 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.670 -6.583 10.868 1.00 0.00 H new ATOM 221 N GLY A 15 -8.036 -4.686 10.049 1.00 0.00 N ATOM 222 CA GLY A 15 -8.371 -3.290 10.302 1.00 0.00 C ATOM 223 C GLY A 15 -7.438 -2.363 9.532 1.00 0.00 C ATOM 224 O GLY A 15 -7.663 -1.156 9.462 1.00 0.00 O ATOM 0 H GLY A 15 -8.659 -5.162 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.404 -3.100 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.299 -3.081 11.369 1.00 0.00 H new ATOM 228 N SER A 16 -6.390 -2.941 8.951 1.00 0.00 N ATOM 229 CA SER A 16 -5.426 -2.161 8.184 1.00 0.00 C ATOM 230 C SER A 16 -5.957 -1.889 6.780 1.00 0.00 C ATOM 231 O SER A 16 -7.082 -2.260 6.450 1.00 0.00 O ATOM 232 CB SER A 16 -4.101 -2.917 8.091 1.00 0.00 C ATOM 233 OG SER A 16 -4.327 -4.186 7.493 1.00 0.00 O ATOM 0 H SER A 16 -6.188 -3.940 8.997 1.00 0.00 H new ATOM 0 HA SER A 16 -5.267 -1.210 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.384 -2.346 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.669 -3.042 9.084 1.00 0.00 H new ATOM 0 HG SER A 16 -3.674 -4.831 7.837 1.00 0.00 H new ATOM 239 N LYS A 17 -5.137 -1.239 5.959 1.00 0.00 N ATOM 240 CA LYS A 17 -5.528 -0.919 4.588 1.00 0.00 C ATOM 241 C LYS A 17 -4.299 -0.829 3.699 1.00 0.00 C ATOM 242 O LYS A 17 -3.384 -0.050 3.968 1.00 0.00 O ATOM 243 CB LYS A 17 -6.276 0.416 4.550 1.00 0.00 C ATOM 244 CG LYS A 17 -7.588 0.290 5.325 1.00 0.00 C ATOM 245 CD LYS A 17 -8.474 1.502 5.026 1.00 0.00 C ATOM 246 CE LYS A 17 -9.776 1.391 5.822 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.596 0.271 5.280 1.00 0.00 N ATOM 0 H LYS A 17 -4.202 -0.924 6.217 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.182 -1.711 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.659 1.203 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.477 0.702 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.103 -0.629 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.387 0.228 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.952 2.422 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.691 1.553 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.557 1.219 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.333 2.326 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.593 0.414 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.507 0.245 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.261 -0.629 5.678 1.00 0.00 H new ATOM 261 N VAL A 18 -4.278 -1.626 2.637 1.00 0.00 N ATOM 262 CA VAL A 18 -3.142 -1.615 1.720 1.00 0.00 C ATOM 263 C VAL A 18 -3.233 -0.402 0.791 1.00 0.00 C ATOM 264 O VAL A 18 -4.322 0.101 0.519 1.00 0.00 O ATOM 265 CB VAL A 18 -3.091 -2.903 0.873 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.651 -3.178 0.429 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.604 -4.103 1.679 1.00 0.00 C ATOM 0 H VAL A 18 -5.022 -2.279 2.391 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.232 -1.558 2.317 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.728 -2.762 -0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.622 -4.089 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.288 -2.341 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.017 -3.300 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.559 -5.001 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.983 -4.239 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.635 -3.923 1.984 1.00 0.00 H new ATOM 277 N HIS A 19 -2.083 0.054 0.305 1.00 0.00 N ATOM 278 CA HIS A 19 -2.031 1.203 -0.602 1.00 0.00 C ATOM 279 C HIS A 19 -0.938 0.968 -1.650 1.00 0.00 C ATOM 280 O HIS A 19 0.239 0.861 -1.309 1.00 0.00 O ATOM 281 CB HIS A 19 -1.754 2.478 0.229 1.00 0.00 C ATOM 282 CG HIS A 19 -0.968 3.496 -0.562 1.00 0.00 C ATOM 283 ND1 HIS A 19 -1.578 4.440 -1.371 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.381 3.723 -0.671 1.00 0.00 C ATOM 285 CE1 HIS A 19 -0.607 5.187 -1.928 1.00 0.00 C ATOM 286 NE2 HIS A 19 0.608 4.792 -1.534 1.00 0.00 N ATOM 0 H HIS A 19 -1.173 -0.352 0.522 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.979 1.329 -1.125 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.699 2.916 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.203 2.213 1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.150 3.158 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.787 6.005 -2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.507 5.188 -1.807 1.00 0.00 H new ATOM 295 N VAL A 20 -1.330 0.883 -2.927 1.00 0.00 N ATOM 296 CA VAL A 20 -0.354 0.654 -3.996 1.00 0.00 C ATOM 297 C VAL A 20 0.150 1.983 -4.563 1.00 0.00 C ATOM 298 O VAL A 20 -0.521 3.011 -4.461 1.00 0.00 O ATOM 299 CB VAL A 20 -0.934 -0.230 -5.140 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.903 -1.300 -4.592 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.663 0.637 -6.175 1.00 0.00 C ATOM 0 H VAL A 20 -2.297 0.968 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 20 0.483 0.114 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.094 -0.735 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.289 -1.898 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.373 -1.946 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.732 -0.812 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.061 0.002 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.481 1.170 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.965 1.356 -6.604 1.00 0.00 H new ATOM 311 N PHE A 21 1.338 1.945 -5.166 1.00 0.00 N ATOM 312 CA PHE A 21 1.944 3.138 -5.760 1.00 0.00 C ATOM 313 C PHE A 21 1.787 3.113 -7.278 1.00 0.00 C ATOM 314 O PHE A 21 1.001 2.334 -7.816 1.00 0.00 O ATOM 315 CB PHE A 21 3.430 3.192 -5.401 1.00 0.00 C ATOM 316 CG PHE A 21 3.572 3.449 -3.921 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.472 2.388 -3.015 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.799 4.749 -3.455 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.600 2.626 -1.643 1.00 0.00 C ATOM 320 CE2 PHE A 21 3.927 4.988 -2.082 1.00 0.00 C ATOM 321 CZ PHE A 21 3.828 3.925 -1.176 1.00 0.00 C ATOM 0 H PHE A 21 1.901 1.100 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 21 1.440 4.021 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.916 2.253 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.925 3.980 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.296 1.385 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.875 5.568 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.523 1.807 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.102 5.991 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.928 4.108 -0.116 1.00 0.00 H new ATOM 331 N LYS A 22 2.539 3.969 -7.962 1.00 0.00 N ATOM 332 CA LYS A 22 2.474 4.031 -9.418 1.00 0.00 C ATOM 333 C LYS A 22 3.125 2.799 -10.038 1.00 0.00 C ATOM 334 O LYS A 22 2.787 2.400 -11.154 1.00 0.00 O ATOM 335 CB LYS A 22 3.181 5.291 -9.921 1.00 0.00 C ATOM 336 CG LYS A 22 4.623 5.304 -9.412 1.00 0.00 C ATOM 337 CD LYS A 22 5.279 6.639 -9.769 1.00 0.00 C ATOM 338 CE LYS A 22 6.610 6.768 -9.025 1.00 0.00 C ATOM 339 NZ LYS A 22 7.570 5.755 -9.545 1.00 0.00 N ATOM 0 H LYS A 22 3.195 4.624 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 22 1.425 4.061 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.168 5.318 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.654 6.180 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.640 5.156 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.184 4.481 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.444 6.699 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.619 7.464 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.016 7.771 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.456 6.624 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.522 5.959 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.276 4.807 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.584 5.791 -10.584 1.00 0.00 H new ATOM 353 N ASP A 23 4.060 2.198 -9.309 1.00 0.00 N ATOM 354 CA ASP A 23 4.753 1.011 -9.798 1.00 0.00 C ATOM 355 C ASP A 23 3.885 -0.229 -9.615 1.00 0.00 C ATOM 356 O ASP A 23 4.356 -1.356 -9.773 1.00 0.00 O ATOM 357 CB ASP A 23 6.072 0.827 -9.045 1.00 0.00 C ATOM 358 CG ASP A 23 6.940 2.072 -9.202 1.00 0.00 C ATOM 359 OD1 ASP A 23 6.633 3.068 -8.569 1.00 0.00 O ATOM 360 OD2 ASP A 23 7.898 2.011 -9.954 1.00 0.00 O ATOM 0 H ASP A 23 4.354 2.511 -8.384 1.00 0.00 H new ATOM 0 HA ASP A 23 4.957 1.145 -10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.875 0.642 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.601 -0.046 -9.428 1.00 0.00 H new ATOM 365 N GLY A 24 2.618 -0.015 -9.281 1.00 0.00 N ATOM 366 CA GLY A 24 1.694 -1.125 -9.078 1.00 0.00 C ATOM 367 C GLY A 24 2.032 -1.888 -7.803 1.00 0.00 C ATOM 368 O GLY A 24 1.250 -2.717 -7.338 1.00 0.00 O ATOM 0 H GLY A 24 2.209 0.909 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.673 -0.748 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.737 -1.800 -9.933 1.00 0.00 H new ATOM 372 N LYS A 25 3.199 -1.597 -7.236 1.00 0.00 N ATOM 373 CA LYS A 25 3.622 -2.258 -6.007 1.00 0.00 C ATOM 374 C LYS A 25 2.664 -1.885 -4.876 1.00 0.00 C ATOM 375 O LYS A 25 2.154 -0.770 -4.837 1.00 0.00 O ATOM 376 CB LYS A 25 5.058 -1.804 -5.661 1.00 0.00 C ATOM 377 CG LYS A 25 6.088 -2.725 -6.333 1.00 0.00 C ATOM 378 CD LYS A 25 7.493 -2.377 -5.832 1.00 0.00 C ATOM 379 CE LYS A 25 7.903 -0.985 -6.329 1.00 0.00 C ATOM 380 NZ LYS A 25 9.386 -0.851 -6.256 1.00 0.00 N ATOM 0 H LYS A 25 3.862 -0.915 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 25 3.608 -3.340 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.210 -0.776 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.200 -1.817 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.859 -3.767 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.039 -2.613 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.515 -2.403 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.207 -3.122 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.563 -0.838 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.427 -0.215 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.631 0.049 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.779 -1.640 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.784 -0.869 -7.217 1.00 0.00 H new ATOM 394 N MET A 26 2.428 -2.829 -3.970 1.00 0.00 N ATOM 395 CA MET A 26 1.525 -2.608 -2.842 1.00 0.00 C ATOM 396 C MET A 26 2.220 -1.834 -1.725 1.00 0.00 C ATOM 397 O MET A 26 3.412 -1.538 -1.795 1.00 0.00 O ATOM 398 CB MET A 26 1.011 -3.958 -2.299 1.00 0.00 C ATOM 399 CG MET A 26 -0.296 -4.328 -2.999 1.00 0.00 C ATOM 400 SD MET A 26 -0.664 -6.080 -2.712 1.00 0.00 S ATOM 401 CE MET A 26 -0.983 -6.550 -4.431 1.00 0.00 C ATOM 0 H MET A 26 2.850 -3.757 -3.994 1.00 0.00 H new ATOM 0 HA MET A 26 0.681 -2.016 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.757 -4.736 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.853 -3.892 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.110 -3.709 -2.623 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.215 -4.133 -4.068 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.233 -7.610 -4.478 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.815 -5.963 -4.820 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.093 -6.360 -5.031 1.00 0.00 H new ATOM 411 N GLY A 27 1.447 -1.524 -0.687 1.00 0.00 N ATOM 412 CA GLY A 27 1.966 -0.793 0.467 1.00 0.00 C ATOM 413 C GLY A 27 1.194 -1.185 1.718 1.00 0.00 C ATOM 414 O GLY A 27 -0.029 -1.090 1.753 1.00 0.00 O ATOM 0 H GLY A 27 0.459 -1.768 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.026 -1.011 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.880 0.280 0.297 1.00 0.00 H new ATOM 418 N MET A 28 1.910 -1.648 2.737 1.00 0.00 N ATOM 419 CA MET A 28 1.275 -2.077 3.980 1.00 0.00 C ATOM 420 C MET A 28 1.192 -0.931 4.983 1.00 0.00 C ATOM 421 O MET A 28 1.989 -0.852 5.917 1.00 0.00 O ATOM 422 CB MET A 28 2.085 -3.225 4.580 1.00 0.00 C ATOM 423 CG MET A 28 1.287 -3.895 5.695 1.00 0.00 C ATOM 424 SD MET A 28 -0.156 -4.764 5.016 1.00 0.00 S ATOM 425 CE MET A 28 -1.263 -4.511 6.424 1.00 0.00 C ATOM 0 H MET A 28 2.926 -1.736 2.728 1.00 0.00 H new ATOM 0 HA MET A 28 0.259 -2.405 3.758 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.328 -3.953 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.030 -2.849 4.972 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.923 -4.599 6.232 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.961 -3.146 6.417 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.776 -5.445 6.656 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.683 -4.190 7.290 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.998 -3.745 6.176 1.00 0.00 H new ATOM 435 N GLU A 29 0.214 -0.045 4.788 1.00 0.00 N ATOM 436 CA GLU A 29 0.020 1.094 5.687 1.00 0.00 C ATOM 437 C GLU A 29 -1.099 0.797 6.683 1.00 0.00 C ATOM 438 O GLU A 29 -2.277 0.829 6.330 1.00 0.00 O ATOM 439 CB GLU A 29 -0.340 2.339 4.875 1.00 0.00 C ATOM 440 CG GLU A 29 -0.391 3.556 5.799 1.00 0.00 C ATOM 441 CD GLU A 29 -0.619 4.823 4.982 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.745 5.044 4.569 1.00 0.00 O ATOM 443 OE2 GLU A 29 0.338 5.553 4.780 1.00 0.00 O ATOM 0 H GLU A 29 -0.454 -0.094 4.019 1.00 0.00 H new ATOM 0 HA GLU A 29 0.947 1.270 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.397 2.498 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.304 2.200 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.192 3.435 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.541 3.637 6.359 1.00 0.00 H new ATOM 450 N ASN A 30 -0.723 0.505 7.925 1.00 0.00 N ATOM 451 CA ASN A 30 -1.709 0.201 8.956 1.00 0.00 C ATOM 452 C ASN A 30 -2.531 1.439 9.298 1.00 0.00 C ATOM 453 O ASN A 30 -2.124 2.566 9.014 1.00 0.00 O ATOM 454 CB ASN A 30 -1.011 -0.318 10.215 1.00 0.00 C ATOM 455 CG ASN A 30 0.070 0.661 10.655 1.00 0.00 C ATOM 456 OD1 ASN A 30 1.234 0.283 10.792 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.246 1.906 10.887 1.00 0.00 N ATOM 0 H ASN A 30 0.247 0.473 8.239 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.379 -0.568 8.572 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.739 -0.452 11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.570 -1.295 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.472 2.568 11.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.211 2.217 10.773 1.00 0.00 H new ATOM 464 N LYS A 31 -3.692 1.221 9.907 1.00 0.00 N ATOM 465 CA LYS A 31 -4.570 2.325 10.283 1.00 0.00 C ATOM 466 C LYS A 31 -4.032 3.050 11.511 1.00 0.00 C ATOM 467 O LYS A 31 -4.608 4.043 11.957 1.00 0.00 O ATOM 468 CB LYS A 31 -5.989 1.802 10.564 1.00 0.00 C ATOM 469 CG LYS A 31 -5.959 0.661 11.617 1.00 0.00 C ATOM 470 CD LYS A 31 -6.287 1.208 13.021 1.00 0.00 C ATOM 471 CE LYS A 31 -7.806 1.312 13.206 1.00 0.00 C ATOM 472 NZ LYS A 31 -8.105 1.731 14.605 1.00 0.00 N ATOM 0 H LYS A 31 -4.046 0.296 10.150 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.606 3.030 9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.617 2.617 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.437 1.438 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.678 -0.111 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.975 0.192 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.864 0.553 13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.829 2.188 13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.221 2.033 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.276 0.352 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.135 1.802 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.721 1.027 15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.668 2.656 14.791 1.00 0.00 H new ATOM 486 N PHE A 32 -2.926 2.553 12.053 1.00 0.00 N ATOM 487 CA PHE A 32 -2.321 3.167 13.231 1.00 0.00 C ATOM 488 C PHE A 32 -1.495 4.384 12.833 1.00 0.00 C ATOM 489 O PHE A 32 -0.704 4.897 13.625 1.00 0.00 O ATOM 490 CB PHE A 32 -1.427 2.154 13.949 1.00 0.00 C ATOM 491 CG PHE A 32 -2.289 1.107 14.621 1.00 0.00 C ATOM 492 CD1 PHE A 32 -3.116 1.469 15.691 1.00 0.00 C ATOM 493 CD2 PHE A 32 -2.260 -0.222 14.177 1.00 0.00 C ATOM 494 CE1 PHE A 32 -3.915 0.503 16.316 1.00 0.00 C ATOM 495 CE2 PHE A 32 -3.059 -1.186 14.801 1.00 0.00 C ATOM 496 CZ PHE A 32 -3.886 -0.824 15.872 1.00 0.00 C ATOM 0 H PHE A 32 -2.433 1.733 11.700 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.119 3.485 13.902 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.751 1.681 13.237 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.808 2.660 14.689 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.138 2.493 16.034 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.621 -0.502 13.353 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.554 0.782 17.141 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.038 -2.210 14.457 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.501 -1.569 16.355 1.00 0.00 H new ATOM 506 N GLY A 33 -1.680 4.841 11.597 1.00 0.00 N ATOM 507 CA GLY A 33 -0.942 5.998 11.104 1.00 0.00 C ATOM 508 C GLY A 33 0.544 5.684 10.988 1.00 0.00 C ATOM 509 O GLY A 33 1.385 6.580 11.048 1.00 0.00 O ATOM 0 H GLY A 33 -2.329 4.432 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.332 6.296 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.088 6.842 11.778 1.00 0.00 H new ATOM 513 N LYS A 34 0.860 4.400 10.825 1.00 0.00 N ATOM 514 CA LYS A 34 2.251 3.960 10.702 1.00 0.00 C ATOM 515 C LYS A 34 2.375 2.883 9.628 1.00 0.00 C ATOM 516 O LYS A 34 1.373 2.359 9.142 1.00 0.00 O ATOM 517 CB LYS A 34 2.739 3.403 12.040 1.00 0.00 C ATOM 518 CG LYS A 34 2.855 4.543 13.055 1.00 0.00 C ATOM 519 CD LYS A 34 3.382 3.997 14.383 1.00 0.00 C ATOM 520 CE LYS A 34 3.388 5.115 15.427 1.00 0.00 C ATOM 521 NZ LYS A 34 3.866 4.576 16.731 1.00 0.00 N ATOM 0 H LYS A 34 0.174 3.647 10.775 1.00 0.00 H new ATOM 0 HA LYS A 34 2.863 4.816 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.046 2.645 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.706 2.915 11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.526 5.314 12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.882 5.011 13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.757 3.171 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.389 3.602 14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.034 5.929 15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.386 5.529 15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.870 5.336 17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.232 3.813 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.830 4.202 16.620 1.00 0.00 H new ATOM 535 N SER A 35 3.613 2.558 9.263 1.00 0.00 N ATOM 536 CA SER A 35 3.871 1.540 8.243 1.00 0.00 C ATOM 537 C SER A 35 4.210 0.202 8.890 1.00 0.00 C ATOM 538 O SER A 35 5.141 0.109 9.690 1.00 0.00 O ATOM 539 CB SER A 35 5.033 1.983 7.356 1.00 0.00 C ATOM 540 OG SER A 35 5.145 1.095 6.253 1.00 0.00 O ATOM 0 H SER A 35 4.453 2.983 9.656 1.00 0.00 H new ATOM 0 HA SER A 35 2.971 1.420 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.869 3.001 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.961 1.990 7.928 1.00 0.00 H new ATOM 0 HG SER A 35 4.250 0.860 5.930 1.00 0.00 H new ATOM 546 N MET A 36 3.452 -0.837 8.537 1.00 0.00 N ATOM 547 CA MET A 36 3.682 -2.175 9.084 1.00 0.00 C ATOM 548 C MET A 36 4.517 -2.996 8.104 1.00 0.00 C ATOM 549 O MET A 36 4.058 -3.324 7.011 1.00 0.00 O ATOM 550 CB MET A 36 2.327 -2.861 9.338 1.00 0.00 C ATOM 551 CG MET A 36 2.441 -3.851 10.502 1.00 0.00 C ATOM 552 SD MET A 36 3.893 -4.906 10.265 1.00 0.00 S ATOM 553 CE MET A 36 3.818 -5.755 11.863 1.00 0.00 C ATOM 0 H MET A 36 2.676 -0.779 7.877 1.00 0.00 H new ATOM 0 HA MET A 36 4.225 -2.099 10.026 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.569 -2.111 9.563 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.002 -3.383 8.438 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.522 -3.311 11.445 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.541 -4.463 10.561 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.639 -6.469 11.935 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.901 -5.024 12.667 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.869 -6.284 11.950 1.00 0.00 H new ATOM 563 N ASN A 37 5.745 -3.315 8.492 1.00 0.00 N ATOM 564 CA ASN A 37 6.628 -4.083 7.623 1.00 0.00 C ATOM 565 C ASN A 37 6.150 -5.523 7.472 1.00 0.00 C ATOM 566 O ASN A 37 6.582 -6.409 8.209 1.00 0.00 O ATOM 567 CB ASN A 37 8.053 -4.079 8.173 1.00 0.00 C ATOM 568 CG ASN A 37 8.983 -4.792 7.198 1.00 0.00 C ATOM 569 OD1 ASN A 37 9.959 -4.206 6.729 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.736 -6.029 6.863 1.00 0.00 N ATOM 0 H ASN A 37 6.149 -3.058 9.392 1.00 0.00 H new ATOM 0 HA ASN A 37 6.612 -3.608 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.390 -3.054 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.080 -4.574 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.352 -6.514 6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.927 -6.511 7.254 1.00 0.00 H new ATOM 577 N MET A 38 5.276 -5.754 6.494 1.00 0.00 N ATOM 578 CA MET A 38 4.766 -7.097 6.230 1.00 0.00 C ATOM 579 C MET A 38 5.678 -7.775 5.192 1.00 0.00 C ATOM 580 O MET A 38 5.896 -7.213 4.117 1.00 0.00 O ATOM 581 CB MET A 38 3.328 -7.008 5.695 1.00 0.00 C ATOM 582 CG MET A 38 2.874 -8.375 5.187 1.00 0.00 C ATOM 583 SD MET A 38 1.103 -8.360 4.793 1.00 0.00 S ATOM 584 CE MET A 38 0.441 -8.633 6.453 1.00 0.00 C ATOM 0 H MET A 38 4.908 -5.032 5.874 1.00 0.00 H new ATOM 0 HA MET A 38 4.759 -7.683 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.659 -6.663 6.483 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.276 -6.276 4.889 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.446 -8.647 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.077 -9.134 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.644 -8.726 6.401 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.864 -9.548 6.867 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.703 -7.790 7.092 1.00 0.00 H new ATOM 594 N PRO A 39 6.228 -8.944 5.466 1.00 0.00 N ATOM 595 CA PRO A 39 7.133 -9.630 4.494 1.00 0.00 C ATOM 596 C PRO A 39 6.367 -10.200 3.303 1.00 0.00 C ATOM 597 O PRO A 39 5.322 -10.830 3.465 1.00 0.00 O ATOM 598 CB PRO A 39 7.783 -10.741 5.331 1.00 0.00 C ATOM 599 CG PRO A 39 6.775 -11.058 6.387 1.00 0.00 C ATOM 600 CD PRO A 39 6.062 -9.738 6.700 1.00 0.00 C ATOM 0 HA PRO A 39 7.861 -8.950 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.007 -11.617 4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.724 -10.408 5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.068 -11.810 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.257 -11.462 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.009 -9.898 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.507 -9.238 7.560 1.00 0.00 H new ATOM 608 N GLU A 40 6.899 -9.971 2.106 1.00 0.00 N ATOM 609 CA GLU A 40 6.261 -10.464 0.892 1.00 0.00 C ATOM 610 C GLU A 40 5.846 -11.919 1.056 1.00 0.00 C ATOM 611 O GLU A 40 6.634 -12.755 1.499 1.00 0.00 O ATOM 612 CB GLU A 40 7.221 -10.333 -0.293 1.00 0.00 C ATOM 613 CG GLU A 40 8.512 -11.098 0.007 1.00 0.00 C ATOM 614 CD GLU A 40 9.581 -10.737 -1.019 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.581 -11.338 -2.080 1.00 0.00 O ATOM 616 OE2 GLU A 40 10.384 -9.866 -0.727 1.00 0.00 O ATOM 0 H GLU A 40 7.763 -9.451 1.952 1.00 0.00 H new ATOM 0 HA GLU A 40 5.370 -9.865 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.755 -10.726 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.444 -9.282 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.863 -10.857 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.322 -12.171 -0.015 1.00 0.00 H new ATOM 623 N GLY A 41 4.599 -12.219 0.691 1.00 0.00 N ATOM 624 CA GLY A 41 4.074 -13.581 0.794 1.00 0.00 C ATOM 625 C GLY A 41 2.956 -13.661 1.827 1.00 0.00 C ATOM 626 O GLY A 41 2.131 -14.573 1.787 1.00 0.00 O ATOM 0 H GLY A 41 3.935 -11.539 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.700 -13.904 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.878 -14.264 1.069 1.00 0.00 H new ATOM 630 N LYS A 42 2.927 -12.700 2.745 1.00 0.00 N ATOM 631 CA LYS A 42 1.891 -12.683 3.770 1.00 0.00 C ATOM 632 C LYS A 42 0.558 -12.332 3.126 1.00 0.00 C ATOM 633 O LYS A 42 0.168 -11.168 3.053 1.00 0.00 O ATOM 634 CB LYS A 42 2.255 -11.676 4.881 1.00 0.00 C ATOM 635 CG LYS A 42 2.985 -12.392 6.034 1.00 0.00 C ATOM 636 CD LYS A 42 1.962 -13.012 6.996 1.00 0.00 C ATOM 637 CE LYS A 42 2.629 -14.111 7.827 1.00 0.00 C ATOM 638 NZ LYS A 42 3.182 -15.156 6.919 1.00 0.00 N ATOM 0 H LYS A 42 3.598 -11.934 2.800 1.00 0.00 H new ATOM 0 HA LYS A 42 1.811 -13.668 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.889 -10.888 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.351 -11.196 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.639 -13.168 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.619 -11.685 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.555 -12.243 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.125 -13.426 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.426 -13.687 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.905 -14.554 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.166 -16.078 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.605 -15.206 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.162 -14.914 6.667 1.00 0.00 H new ATOM 652 N VAL A 43 -0.118 -13.362 2.645 1.00 0.00 N ATOM 653 CA VAL A 43 -1.403 -13.195 1.978 1.00 0.00 C ATOM 654 C VAL A 43 -2.366 -12.368 2.819 1.00 0.00 C ATOM 655 O VAL A 43 -2.623 -12.683 3.981 1.00 0.00 O ATOM 656 CB VAL A 43 -2.023 -14.565 1.695 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.162 -14.413 0.685 1.00 0.00 C ATOM 658 CG2 VAL A 43 -0.955 -15.500 1.120 1.00 0.00 C ATOM 0 H VAL A 43 0.202 -14.329 2.704 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.226 -12.665 1.042 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.413 -14.984 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.603 -15.389 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.923 -13.748 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.772 -13.993 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.396 -16.476 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.564 -15.080 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.143 -15.611 1.839 1.00 0.00 H new ATOM 668 N MET A 44 -2.914 -11.316 2.209 1.00 0.00 N ATOM 669 CA MET A 44 -3.876 -10.447 2.882 1.00 0.00 C ATOM 670 C MET A 44 -5.248 -10.674 2.253 1.00 0.00 C ATOM 671 O MET A 44 -5.352 -10.846 1.039 1.00 0.00 O ATOM 672 CB MET A 44 -3.470 -8.970 2.731 1.00 0.00 C ATOM 673 CG MET A 44 -1.972 -8.782 2.991 1.00 0.00 C ATOM 674 SD MET A 44 -1.460 -7.125 2.441 1.00 0.00 S ATOM 675 CE MET A 44 -1.663 -7.370 0.658 1.00 0.00 C ATOM 0 H MET A 44 -2.706 -11.046 1.248 1.00 0.00 H new ATOM 0 HA MET A 44 -3.902 -10.684 3.946 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.715 -8.623 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.043 -8.359 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.759 -8.906 4.053 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.402 -9.545 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.987 -6.706 0.120 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.433 -8.405 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.692 -7.147 0.375 1.00 0.00 H new ATOM 685 N GLU A 45 -6.296 -10.707 3.077 1.00 0.00 N ATOM 686 CA GLU A 45 -7.653 -10.946 2.577 1.00 0.00 C ATOM 687 C GLU A 45 -8.587 -9.809 2.975 1.00 0.00 C ATOM 688 O GLU A 45 -8.749 -9.511 4.158 1.00 0.00 O ATOM 689 CB GLU A 45 -8.167 -12.268 3.159 1.00 0.00 C ATOM 690 CG GLU A 45 -9.648 -12.467 2.825 1.00 0.00 C ATOM 691 CD GLU A 45 -9.885 -12.298 1.328 1.00 0.00 C ATOM 692 OE1 GLU A 45 -10.074 -11.171 0.902 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.872 -13.299 0.631 1.00 0.00 O ATOM 0 H GLU A 45 -6.234 -10.573 4.086 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.628 -10.998 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.584 -13.098 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.029 -12.273 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.968 -13.460 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.252 -11.748 3.378 1.00 0.00 H new ATOM 700 N THR A 46 -9.208 -9.182 1.978 1.00 0.00 N ATOM 701 CA THR A 46 -10.134 -8.086 2.242 1.00 0.00 C ATOM 702 C THR A 46 -11.500 -8.628 2.650 1.00 0.00 C ATOM 703 O THR A 46 -11.849 -9.762 2.322 1.00 0.00 O ATOM 704 CB THR A 46 -10.281 -7.210 0.997 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.014 -7.915 0.010 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.896 -6.859 0.456 1.00 0.00 C ATOM 0 H THR A 46 -9.088 -9.411 0.991 1.00 0.00 H new ATOM 0 HA THR A 46 -9.733 -7.486 3.059 1.00 0.00 H new ATOM 0 HB THR A 46 -10.811 -6.293 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.248 -7.306 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.000 -6.235 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.335 -6.317 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.364 -7.774 0.196 1.00 0.00 H new ATOM 714 N ARG A 47 -12.268 -7.816 3.371 1.00 0.00 N ATOM 715 CA ARG A 47 -13.591 -8.241 3.815 1.00 0.00 C ATOM 716 C ARG A 47 -14.463 -8.612 2.620 1.00 0.00 C ATOM 717 O ARG A 47 -15.371 -9.435 2.735 1.00 0.00 O ATOM 718 CB ARG A 47 -14.267 -7.133 4.629 1.00 0.00 C ATOM 719 CG ARG A 47 -14.281 -5.818 3.835 1.00 0.00 C ATOM 720 CD ARG A 47 -15.402 -4.915 4.357 1.00 0.00 C ATOM 721 NE ARG A 47 -15.152 -4.552 5.750 1.00 0.00 N ATOM 722 CZ ARG A 47 -14.447 -3.470 6.073 1.00 0.00 C ATOM 723 NH1 ARG A 47 -13.961 -2.700 5.138 1.00 0.00 N ATOM 724 NH2 ARG A 47 -14.240 -3.178 7.329 1.00 0.00 N ATOM 0 H ARG A 47 -12.002 -6.874 3.657 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.470 -9.119 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.287 -7.426 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.738 -6.991 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.320 -5.313 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.429 -6.023 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.468 -4.015 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.360 -5.428 4.274 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.527 -5.142 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.121 -2.927 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.421 -1.872 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.618 -3.779 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.700 -2.349 7.578 1.00 0.00 H new ATOM 738 N ASP A 48 -14.175 -8.009 1.471 1.00 0.00 N ATOM 739 CA ASP A 48 -14.935 -8.292 0.262 1.00 0.00 C ATOM 740 C ASP A 48 -14.622 -9.698 -0.232 1.00 0.00 C ATOM 741 O ASP A 48 -15.217 -10.178 -1.198 1.00 0.00 O ATOM 742 CB ASP A 48 -14.590 -7.274 -0.827 1.00 0.00 C ATOM 743 CG ASP A 48 -15.410 -7.553 -2.081 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.611 -7.336 -2.039 1.00 0.00 O ATOM 745 OD2 ASP A 48 -14.828 -7.981 -3.064 1.00 0.00 O ATOM 0 H ASP A 48 -13.426 -7.326 1.353 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.998 -8.221 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.790 -6.264 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.526 -7.324 -1.060 1.00 0.00 H new ATOM 750 N GLY A 49 -13.682 -10.353 0.440 1.00 0.00 N ATOM 751 CA GLY A 49 -13.291 -11.707 0.069 1.00 0.00 C ATOM 752 C GLY A 49 -12.331 -11.691 -1.116 1.00 0.00 C ATOM 753 O GLY A 49 -12.416 -12.540 -2.002 1.00 0.00 O ATOM 0 H GLY A 49 -13.179 -9.970 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.818 -12.199 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.177 -12.289 -0.184 1.00 0.00 H new ATOM 757 N THR A 50 -11.414 -10.722 -1.124 1.00 0.00 N ATOM 758 CA THR A 50 -10.433 -10.603 -2.205 1.00 0.00 C ATOM 759 C THR A 50 -9.040 -10.937 -1.687 1.00 0.00 C ATOM 760 O THR A 50 -8.506 -10.242 -0.822 1.00 0.00 O ATOM 761 CB THR A 50 -10.440 -9.180 -2.765 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.776 -8.793 -3.057 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.603 -9.130 -4.042 1.00 0.00 C ATOM 0 H THR A 50 -11.330 -10.011 -0.398 1.00 0.00 H new ATOM 0 HA THR A 50 -10.700 -11.303 -2.996 1.00 0.00 H new ATOM 0 HB THR A 50 -10.017 -8.497 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.782 -7.880 -3.414 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.608 -8.116 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.578 -9.426 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.024 -9.812 -4.780 1.00 0.00 H new ATOM 771 N LYS A 51 -8.456 -12.006 -2.218 1.00 0.00 N ATOM 772 CA LYS A 51 -7.124 -12.424 -1.797 1.00 0.00 C ATOM 773 C LYS A 51 -6.056 -11.591 -2.501 1.00 0.00 C ATOM 774 O LYS A 51 -5.909 -11.653 -3.721 1.00 0.00 O ATOM 775 CB LYS A 51 -6.923 -13.918 -2.105 1.00 0.00 C ATOM 776 CG LYS A 51 -5.899 -14.538 -1.133 1.00 0.00 C ATOM 777 CD LYS A 51 -6.595 -14.959 0.179 1.00 0.00 C ATOM 778 CE LYS A 51 -7.188 -16.367 0.038 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.112 -17.328 -0.333 1.00 0.00 N ATOM 0 H LYS A 51 -8.880 -12.595 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.030 -12.267 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.875 -14.443 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.578 -14.040 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.426 -15.404 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.108 -13.819 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.880 -14.939 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.383 -14.248 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.654 -16.672 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.969 -16.369 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.314 -18.256 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.071 -17.421 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.198 -16.979 0.019 1.00 0.00 H new ATOM 793 N ILE A 52 -5.316 -10.811 -1.715 1.00 0.00 N ATOM 794 CA ILE A 52 -4.255 -9.954 -2.250 1.00 0.00 C ATOM 795 C ILE A 52 -2.947 -10.224 -1.506 1.00 0.00 C ATOM 796 O ILE A 52 -2.900 -10.171 -0.280 1.00 0.00 O ATOM 797 CB ILE A 52 -4.658 -8.472 -2.100 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.493 -8.296 -0.831 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.504 -8.029 -3.289 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.638 -6.809 -0.511 1.00 0.00 C ATOM 0 H ILE A 52 -5.431 -10.754 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.110 -10.176 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.750 -7.872 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.476 -8.746 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.018 -8.813 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.780 -6.982 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.931 -8.150 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.406 -8.639 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.234 -6.688 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.651 -6.372 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.133 -6.305 -1.341 1.00 0.00 H new ATOM 812 N ILE A 53 -1.894 -10.525 -2.262 1.00 0.00 N ATOM 813 CA ILE A 53 -0.586 -10.818 -1.675 1.00 0.00 C ATOM 814 C ILE A 53 0.232 -9.546 -1.492 1.00 0.00 C ATOM 815 O ILE A 53 0.156 -8.624 -2.305 1.00 0.00 O ATOM 816 CB ILE A 53 0.181 -11.788 -2.577 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.672 -13.038 -2.817 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.492 -12.187 -1.899 1.00 0.00 C ATOM 819 CD1 ILE A 53 0.004 -13.923 -3.867 1.00 0.00 C ATOM 0 H ILE A 53 -1.919 -10.573 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.748 -11.270 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 53 0.399 -11.306 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.797 -13.591 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.668 -12.752 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.038 -12.878 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.097 -11.297 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.276 -12.671 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.602 -14.812 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.106 -13.368 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.991 -14.220 -3.512 1.00 0.00 H new ATOM 831 N MET A 54 1.024 -9.507 -0.423 1.00 0.00 N ATOM 832 CA MET A 54 1.861 -8.347 -0.151 1.00 0.00 C ATOM 833 C MET A 54 2.995 -8.282 -1.169 1.00 0.00 C ATOM 834 O MET A 54 4.114 -8.719 -0.904 1.00 0.00 O ATOM 835 CB MET A 54 2.429 -8.433 1.274 1.00 0.00 C ATOM 836 CG MET A 54 3.150 -7.128 1.633 1.00 0.00 C ATOM 837 SD MET A 54 1.938 -5.829 2.002 1.00 0.00 S ATOM 838 CE MET A 54 2.827 -4.440 1.245 1.00 0.00 C ATOM 0 H MET A 54 1.102 -10.259 0.262 1.00 0.00 H new ATOM 0 HA MET A 54 1.259 -7.442 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.624 -8.620 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.121 -9.272 1.348 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.799 -7.287 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.789 -6.817 0.806 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.114 -3.673 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.528 -4.021 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.373 -4.791 0.370 1.00 0.00 H new ATOM 848 N LYS A 55 2.689 -7.737 -2.342 1.00 0.00 N ATOM 849 CA LYS A 55 3.678 -7.621 -3.408 1.00 0.00 C ATOM 850 C LYS A 55 4.700 -6.540 -3.078 1.00 0.00 C ATOM 851 O LYS A 55 5.883 -6.819 -2.886 1.00 0.00 O ATOM 852 CB LYS A 55 2.976 -7.265 -4.725 1.00 0.00 C ATOM 853 CG LYS A 55 3.934 -7.469 -5.915 1.00 0.00 C ATOM 854 CD LYS A 55 3.890 -8.931 -6.402 1.00 0.00 C ATOM 855 CE LYS A 55 2.732 -9.129 -7.388 1.00 0.00 C ATOM 856 NZ LYS A 55 2.788 -10.511 -7.946 1.00 0.00 N ATOM 0 H LYS A 55 1.767 -7.370 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 55 4.193 -8.576 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.090 -7.887 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.637 -6.229 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.658 -6.800 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.950 -7.209 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.834 -9.190 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.771 -9.602 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.779 -8.967 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.796 -8.397 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.003 -10.647 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.693 -10.649 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.707 -11.201 -7.172 1.00 0.00 H new ATOM 870 N GLY A 56 4.226 -5.303 -3.031 1.00 0.00 N ATOM 871 CA GLY A 56 5.086 -4.166 -2.743 1.00 0.00 C ATOM 872 C GLY A 56 5.533 -4.148 -1.284 1.00 0.00 C ATOM 873 O GLY A 56 5.101 -3.293 -0.511 1.00 0.00 O ATOM 0 H GLY A 56 3.248 -5.062 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.962 -4.200 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.555 -3.242 -2.972 1.00 0.00 H new ATOM 877 N ASN A 57 6.405 -5.078 -0.909 1.00 0.00 N ATOM 878 CA ASN A 57 6.896 -5.121 0.463 1.00 0.00 C ATOM 879 C ASN A 57 7.796 -3.921 0.729 1.00 0.00 C ATOM 880 O ASN A 57 8.252 -3.706 1.852 1.00 0.00 O ATOM 881 CB ASN A 57 7.674 -6.415 0.712 1.00 0.00 C ATOM 882 CG ASN A 57 8.284 -6.394 2.112 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.329 -7.004 2.344 1.00 0.00 O ATOM 884 ND2 ASN A 57 7.692 -5.722 3.063 1.00 0.00 N ATOM 0 H ASN A 57 6.781 -5.800 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 57 6.042 -5.089 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.011 -7.274 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.460 -6.526 -0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.095 -5.702 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.827 -5.218 2.869 1.00 0.00 H new ATOM 891 N GLU A 58 8.042 -3.137 -0.317 1.00 0.00 N ATOM 892 CA GLU A 58 8.884 -1.952 -0.197 1.00 0.00 C ATOM 893 C GLU A 58 8.072 -0.785 0.351 1.00 0.00 C ATOM 894 O GLU A 58 7.912 0.242 -0.312 1.00 0.00 O ATOM 895 CB GLU A 58 9.462 -1.579 -1.562 1.00 0.00 C ATOM 896 CG GLU A 58 10.293 -2.746 -2.101 1.00 0.00 C ATOM 897 CD GLU A 58 10.834 -2.405 -3.485 1.00 0.00 C ATOM 898 OE1 GLU A 58 11.610 -1.469 -3.582 1.00 0.00 O ATOM 899 OE2 GLU A 58 10.463 -3.084 -4.429 1.00 0.00 O ATOM 0 H GLU A 58 7.672 -3.300 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 58 9.701 -2.172 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.657 -1.341 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.082 -0.687 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.118 -2.960 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.681 -3.646 -2.152 1.00 0.00 H new ATOM 906 N ILE A 59 7.556 -0.953 1.561 1.00 0.00 N ATOM 907 CA ILE A 59 6.753 0.086 2.194 1.00 0.00 C ATOM 908 C ILE A 59 7.516 1.407 2.245 1.00 0.00 C ATOM 909 O ILE A 59 6.920 2.472 2.413 1.00 0.00 O ATOM 910 CB ILE A 59 6.376 -0.351 3.610 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.641 -0.740 4.384 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.442 -1.561 3.538 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.307 -0.912 5.869 1.00 0.00 C ATOM 0 H ILE A 59 7.678 -1.796 2.123 1.00 0.00 H new ATOM 0 HA ILE A 59 5.849 0.236 1.604 1.00 0.00 H new ATOM 0 HB ILE A 59 5.875 0.473 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.052 -1.667 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.405 0.027 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.173 -1.873 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.540 -1.292 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.947 -2.381 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.209 -1.188 6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.916 0.025 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.558 -1.695 5.985 1.00 0.00 H new ATOM 925 N PHE A 60 8.832 1.330 2.101 1.00 0.00 N ATOM 926 CA PHE A 60 9.670 2.522 2.130 1.00 0.00 C ATOM 927 C PHE A 60 9.110 3.597 1.203 1.00 0.00 C ATOM 928 O PHE A 60 9.309 4.792 1.430 1.00 0.00 O ATOM 929 CB PHE A 60 11.096 2.171 1.703 1.00 0.00 C ATOM 930 CG PHE A 60 11.680 1.171 2.672 1.00 0.00 C ATOM 931 CD1 PHE A 60 12.358 1.615 3.813 1.00 0.00 C ATOM 932 CD2 PHE A 60 11.543 -0.201 2.429 1.00 0.00 C ATOM 933 CE1 PHE A 60 12.900 0.688 4.712 1.00 0.00 C ATOM 934 CE2 PHE A 60 12.083 -1.129 3.327 1.00 0.00 C ATOM 935 CZ PHE A 60 12.762 -0.684 4.469 1.00 0.00 C ATOM 0 H PHE A 60 9.342 0.457 1.963 1.00 0.00 H new ATOM 0 HA PHE A 60 9.681 2.908 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.094 1.757 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.711 3.070 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.463 2.673 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.020 -0.544 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 60 13.424 1.031 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.976 -2.187 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 60 13.179 -1.400 5.162 1.00 0.00 H new ATOM 945 N ARG A 61 8.420 3.166 0.153 1.00 0.00 N ATOM 946 CA ARG A 61 7.844 4.100 -0.811 1.00 0.00 C ATOM 947 C ARG A 61 6.990 5.155 -0.110 1.00 0.00 C ATOM 948 O ARG A 61 6.901 6.292 -0.570 1.00 0.00 O ATOM 949 CB ARG A 61 6.988 3.336 -1.827 1.00 0.00 C ATOM 950 CG ARG A 61 7.845 2.296 -2.571 1.00 0.00 C ATOM 951 CD ARG A 61 8.589 2.953 -3.740 1.00 0.00 C ATOM 952 NE ARG A 61 7.649 3.619 -4.635 1.00 0.00 N ATOM 953 CZ ARG A 61 8.065 4.226 -5.741 1.00 0.00 C ATOM 954 NH1 ARG A 61 9.335 4.231 -6.044 1.00 0.00 N ATOM 955 NH2 ARG A 61 7.205 4.819 -6.524 1.00 0.00 N ATOM 0 H ARG A 61 8.246 2.182 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 61 8.661 4.605 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.162 2.840 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.549 4.033 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.561 1.846 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.211 1.491 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.311 3.675 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.152 2.199 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 61 6.655 3.619 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.007 3.769 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.655 4.697 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.213 4.816 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.525 5.285 -7.373 1.00 0.00 H new ATOM 969 N LEU A 62 6.364 4.779 1.002 1.00 0.00 N ATOM 970 CA LEU A 62 5.527 5.719 1.742 1.00 0.00 C ATOM 971 C LEU A 62 6.287 7.017 1.992 1.00 0.00 C ATOM 972 O LEU A 62 5.692 8.092 2.063 1.00 0.00 O ATOM 973 CB LEU A 62 5.110 5.113 3.088 1.00 0.00 C ATOM 974 CG LEU A 62 4.201 3.886 2.866 1.00 0.00 C ATOM 975 CD1 LEU A 62 4.248 2.977 4.100 1.00 0.00 C ATOM 976 CD2 LEU A 62 2.750 4.334 2.641 1.00 0.00 C ATOM 0 H LEU A 62 6.419 3.844 1.406 1.00 0.00 H new ATOM 0 HA LEU A 62 4.638 5.928 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.995 4.820 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.585 5.860 3.683 1.00 0.00 H new ATOM 0 HG LEU A 62 4.557 3.346 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.605 2.112 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.272 2.642 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.901 3.530 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.119 3.459 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.399 4.884 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.700 4.978 1.763 1.00 0.00 H new