USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 35 MET CE :methyl -172:sc= -0.206 (180deg=-0.355) USER MOD Set 1.2: A 50 MET CE :methyl 157:sc= -0.327 (180deg=-1.31) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= -1.06 (180deg=-2.81!) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0225 (180deg=-0.31) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 23 ASN : amide:sc= -2.87! C(o=-2.9!,f=-14!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-9.5!) USER MOD Single : A 37 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 49 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.78) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0506 (180deg=-0.526) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -6.66! C(o=-6.7!,f=-1.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= -3.24! (180deg=-4.14!) USER MOD Single : A 70 MET CE :methyl -133:sc= -1.85 (180deg=-3.82!) USER MOD Single : A 71 MET CE :methyl -171:sc=-0.00797 (180deg=-0.183) USER MOD Single : A 72 MET CE :methyl 161:sc= 0 (180deg=-0.103) USER MOD Single : A 73 THR OG1 : rot 9:sc= -0.375 USER MOD Single : A 81 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.871 -1.871 -2.388 1.00 0.00 N ATOM 108 CA GLU A 9 13.707 -0.988 -3.534 1.00 0.00 C ATOM 109 C GLU A 9 12.262 -1.007 -4.020 1.00 0.00 C ATOM 110 O GLU A 9 11.702 0.030 -4.368 1.00 0.00 O ATOM 111 CB GLU A 9 14.639 -1.423 -4.667 1.00 0.00 C ATOM 112 CG GLU A 9 16.096 -1.263 -4.225 1.00 0.00 C ATOM 113 CD GLU A 9 16.415 0.213 -4.009 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.695 1.039 -4.544 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.372 0.495 -3.308 1.00 0.00 O ATOM 0 HA GLU A 9 13.961 0.027 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.442 -2.461 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.451 -0.823 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.269 -1.820 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.762 -1.681 -4.980 1.00 0.00 H new ATOM 122 N GLU A 10 11.665 -2.194 -4.044 1.00 0.00 N ATOM 123 CA GLU A 10 10.285 -2.329 -4.493 1.00 0.00 C ATOM 124 C GLU A 10 9.359 -1.475 -3.635 1.00 0.00 C ATOM 125 O GLU A 10 8.527 -0.732 -4.152 1.00 0.00 O ATOM 126 CB GLU A 10 9.852 -3.797 -4.405 1.00 0.00 C ATOM 127 CG GLU A 10 8.429 -3.948 -4.949 1.00 0.00 C ATOM 128 CD GLU A 10 8.002 -5.412 -4.901 1.00 0.00 C ATOM 129 OE1 GLU A 10 8.873 -6.255 -4.761 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.811 -5.669 -5.005 1.00 0.00 O ATOM 0 H GLU A 10 12.110 -3.067 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 10 10.222 -1.990 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.538 -4.423 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.894 -4.137 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.740 -3.341 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.382 -3.581 -5.974 1.00 0.00 H new ATOM 137 N LEU A 11 9.507 -1.587 -2.321 1.00 0.00 N ATOM 138 CA LEU A 11 8.672 -0.820 -1.404 1.00 0.00 C ATOM 139 C LEU A 11 8.915 0.672 -1.577 1.00 0.00 C ATOM 140 O LEU A 11 7.969 1.463 -1.579 1.00 0.00 O ATOM 141 CB LEU A 11 8.979 -1.228 0.048 1.00 0.00 C ATOM 142 CG LEU A 11 8.208 -2.501 0.413 1.00 0.00 C ATOM 143 CD1 LEU A 11 8.843 -3.704 -0.278 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.251 -2.701 1.926 1.00 0.00 C ATOM 0 H LEU A 11 10.190 -2.195 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 11 7.627 -1.033 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.049 -1.395 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.704 -0.420 0.726 1.00 0.00 H new ATOM 0 HG LEU A 11 7.173 -2.404 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.292 -4.607 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.813 -3.561 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.879 -3.805 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.703 -3.606 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.287 -2.796 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.793 -1.844 2.419 1.00 0.00 H new ATOM 156 N LYS A 12 10.181 1.052 -1.720 1.00 0.00 N ATOM 157 CA LYS A 12 10.520 2.458 -1.889 1.00 0.00 C ATOM 158 C LYS A 12 10.034 2.976 -3.241 1.00 0.00 C ATOM 159 O LYS A 12 9.311 3.975 -3.319 1.00 0.00 O ATOM 160 CB LYS A 12 12.036 2.640 -1.782 1.00 0.00 C ATOM 161 CG LYS A 12 12.467 2.494 -0.321 1.00 0.00 C ATOM 162 CD LYS A 12 13.975 2.722 -0.209 1.00 0.00 C ATOM 163 CE LYS A 12 14.388 2.673 1.261 1.00 0.00 C ATOM 164 NZ LYS A 12 15.856 2.920 1.373 1.00 0.00 N ATOM 0 H LYS A 12 10.978 0.415 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 12 10.026 3.029 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.546 1.900 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.323 3.621 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.933 3.213 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.210 1.501 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.512 1.961 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.241 3.687 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.838 3.423 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.138 1.702 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.138 2.887 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.372 2.189 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.081 3.856 0.981 1.00 0.00 H new ATOM 178 N GLU A 13 10.426 2.288 -4.309 1.00 0.00 N ATOM 179 CA GLU A 13 10.020 2.688 -5.650 1.00 0.00 C ATOM 180 C GLU A 13 8.496 2.700 -5.765 1.00 0.00 C ATOM 181 O GLU A 13 7.890 3.705 -6.164 1.00 0.00 O ATOM 182 CB GLU A 13 10.612 1.716 -6.679 1.00 0.00 C ATOM 183 CG GLU A 13 12.132 1.890 -6.736 1.00 0.00 C ATOM 184 CD GLU A 13 12.736 0.879 -7.707 1.00 0.00 C ATOM 185 OE1 GLU A 13 12.295 -0.259 -7.696 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.630 1.257 -8.446 1.00 0.00 O ATOM 0 H GLU A 13 11.019 1.459 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 13 10.392 3.694 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.363 0.690 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.178 1.902 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.379 2.903 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.560 1.753 -5.743 1.00 0.00 H new ATOM 193 N ALA A 14 7.879 1.581 -5.390 1.00 0.00 N ATOM 194 CA ALA A 14 6.427 1.470 -5.442 1.00 0.00 C ATOM 195 C ALA A 14 5.791 2.613 -4.647 1.00 0.00 C ATOM 196 O ALA A 14 4.844 3.245 -5.088 1.00 0.00 O ATOM 197 CB ALA A 14 5.979 0.134 -4.860 1.00 0.00 C ATOM 0 H ALA A 14 8.358 0.747 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 14 6.108 1.529 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.892 0.064 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.419 -0.680 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.305 0.062 -3.822 1.00 0.00 H new ATOM 203 N PHE A 15 6.327 2.883 -3.473 1.00 0.00 N ATOM 204 CA PHE A 15 5.798 3.955 -2.638 1.00 0.00 C ATOM 205 C PHE A 15 5.830 5.285 -3.385 1.00 0.00 C ATOM 206 O PHE A 15 4.951 6.129 -3.207 1.00 0.00 O ATOM 207 CB PHE A 15 6.621 4.066 -1.351 1.00 0.00 C ATOM 208 CG PHE A 15 6.251 5.337 -0.616 1.00 0.00 C ATOM 209 CD1 PHE A 15 4.942 5.525 -0.157 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.217 6.329 -0.400 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.598 6.703 0.519 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.873 7.505 0.274 1.00 0.00 C ATOM 213 CZ PHE A 15 5.565 7.692 0.734 1.00 0.00 C ATOM 0 H PHE A 15 7.121 2.383 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 15 4.763 3.720 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.437 3.200 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.685 4.068 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.197 4.761 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.227 6.185 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.588 6.848 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.618 8.270 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.301 8.600 1.255 1.00 0.00 H new ATOM 223 N LYS A 16 6.869 5.482 -4.185 1.00 0.00 N ATOM 224 CA LYS A 16 7.023 6.729 -4.925 1.00 0.00 C ATOM 225 C LYS A 16 5.898 6.915 -5.930 1.00 0.00 C ATOM 226 O LYS A 16 5.434 8.032 -6.165 1.00 0.00 O ATOM 227 CB LYS A 16 8.361 6.738 -5.660 1.00 0.00 C ATOM 228 CG LYS A 16 8.576 8.104 -6.316 1.00 0.00 C ATOM 229 CD LYS A 16 9.945 8.123 -7.008 1.00 0.00 C ATOM 230 CE LYS A 16 11.066 8.013 -5.960 1.00 0.00 C ATOM 231 NZ LYS A 16 11.420 6.577 -5.773 1.00 0.00 N ATOM 0 H LYS A 16 7.613 4.801 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 16 6.988 7.549 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.172 6.526 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.377 5.953 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.786 8.301 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.524 8.893 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.015 7.297 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.060 9.044 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.941 8.577 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.740 8.446 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.259 6.306 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.827 5.990 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.422 6.432 -6.013 1.00 0.00 H new ATOM 245 N VAL A 17 5.462 5.814 -6.519 1.00 0.00 N ATOM 246 CA VAL A 17 4.380 5.871 -7.507 1.00 0.00 C ATOM 247 C VAL A 17 3.041 6.153 -6.822 1.00 0.00 C ATOM 248 O VAL A 17 2.165 6.820 -7.384 1.00 0.00 O ATOM 249 CB VAL A 17 4.318 4.549 -8.298 1.00 0.00 C ATOM 250 CG1 VAL A 17 5.708 3.916 -8.322 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.323 3.575 -7.646 1.00 0.00 C ATOM 0 H VAL A 17 5.829 4.880 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 17 4.583 6.685 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 17 3.984 4.759 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.672 2.980 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.410 4.598 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.035 3.718 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.293 2.648 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.639 3.361 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.330 4.025 -7.632 1.00 0.00 H new ATOM 261 N PHE A 18 2.877 5.609 -5.619 1.00 0.00 N ATOM 262 CA PHE A 18 1.635 5.792 -4.878 1.00 0.00 C ATOM 263 C PHE A 18 1.428 7.263 -4.562 1.00 0.00 C ATOM 264 O PHE A 18 0.333 7.795 -4.736 1.00 0.00 O ATOM 265 CB PHE A 18 1.680 4.970 -3.572 1.00 0.00 C ATOM 266 CG PHE A 18 0.977 3.646 -3.766 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.412 3.575 -3.617 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.708 2.505 -4.096 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.070 2.357 -3.798 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.050 1.285 -4.277 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.340 1.211 -4.129 1.00 0.00 C ATOM 0 H PHE A 18 3.580 5.045 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 18 0.802 5.444 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.715 4.801 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.204 5.528 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.975 4.461 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.780 2.564 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.142 2.300 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.614 0.400 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.849 0.269 -4.270 1.00 0.00 H new ATOM 281 N ASP A 19 2.488 7.910 -4.094 1.00 0.00 N ATOM 282 CA ASP A 19 2.406 9.320 -3.746 1.00 0.00 C ATOM 283 C ASP A 19 2.407 10.180 -5.005 1.00 0.00 C ATOM 284 O ASP A 19 3.365 10.903 -5.273 1.00 0.00 O ATOM 285 CB ASP A 19 3.592 9.707 -2.853 1.00 0.00 C ATOM 286 CG ASP A 19 3.292 11.008 -2.120 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.557 11.814 -2.661 1.00 0.00 O ATOM 288 OD2 ASP A 19 3.809 11.185 -1.028 1.00 0.00 O ATOM 0 H ASP A 19 3.404 7.486 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 19 1.476 9.492 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.790 8.912 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.491 9.820 -3.458 1.00 0.00 H new ATOM 293 N LYS A 20 1.327 10.093 -5.772 1.00 0.00 N ATOM 294 CA LYS A 20 1.219 10.862 -7.005 1.00 0.00 C ATOM 295 C LYS A 20 1.365 12.353 -6.721 1.00 0.00 C ATOM 296 O LYS A 20 2.127 13.048 -7.391 1.00 0.00 O ATOM 297 CB LYS A 20 -0.139 10.601 -7.663 1.00 0.00 C ATOM 298 CG LYS A 20 -0.214 11.343 -8.999 1.00 0.00 C ATOM 299 CD LYS A 20 -1.533 11.012 -9.697 1.00 0.00 C ATOM 300 CE LYS A 20 -1.600 11.741 -11.040 1.00 0.00 C ATOM 301 NZ LYS A 20 -1.724 13.207 -10.800 1.00 0.00 N ATOM 0 H LYS A 20 0.521 9.504 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 20 2.018 10.550 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.278 9.532 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.943 10.933 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.138 12.418 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.626 11.058 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.614 9.936 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.373 11.308 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.705 11.531 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.451 11.383 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.055 13.674 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.407 13.377 -10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.797 13.594 -10.530 1.00 0.00 H new ATOM 315 N ASP A 21 0.634 12.835 -5.722 1.00 0.00 N ATOM 316 CA ASP A 21 0.690 14.247 -5.360 1.00 0.00 C ATOM 317 C ASP A 21 2.058 14.597 -4.783 1.00 0.00 C ATOM 318 O ASP A 21 2.460 15.761 -4.775 1.00 0.00 O ATOM 319 CB ASP A 21 -0.398 14.571 -4.337 1.00 0.00 C ATOM 320 CG ASP A 21 -0.261 13.657 -3.128 1.00 0.00 C ATOM 321 OD1 ASP A 21 0.444 12.671 -3.242 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.864 13.954 -2.110 1.00 0.00 O ATOM 0 H ASP A 21 0.000 12.274 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 21 0.525 14.840 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.319 15.613 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.382 14.446 -4.788 1.00 0.00 H new ATOM 327 N GLN A 22 2.768 13.583 -4.301 1.00 0.00 N ATOM 328 CA GLN A 22 4.092 13.794 -3.724 1.00 0.00 C ATOM 329 C GLN A 22 3.997 14.673 -2.481 1.00 0.00 C ATOM 330 O GLN A 22 4.827 15.555 -2.267 1.00 0.00 O ATOM 331 CB GLN A 22 5.013 14.453 -4.755 1.00 0.00 C ATOM 332 CG GLN A 22 6.474 14.246 -4.346 1.00 0.00 C ATOM 333 CD GLN A 22 7.398 14.886 -5.372 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.132 15.995 -5.839 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.476 14.258 -5.747 1.00 0.00 N ATOM 0 H GLN A 22 2.453 12.613 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 22 4.505 12.826 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.837 14.024 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.792 15.518 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.650 14.683 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.690 13.181 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.693 13.340 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.103 14.684 -6.429 1.00 0.00 H new ATOM 344 N ASN A 23 2.979 14.435 -1.665 1.00 0.00 N ATOM 345 CA ASN A 23 2.787 15.217 -0.445 1.00 0.00 C ATOM 346 C ASN A 23 3.379 14.488 0.753 1.00 0.00 C ATOM 347 O ASN A 23 3.341 14.991 1.874 1.00 0.00 O ATOM 348 CB ASN A 23 1.295 15.462 -0.212 1.00 0.00 C ATOM 349 CG ASN A 23 0.592 14.145 0.094 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.196 13.079 -0.013 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.656 14.157 0.477 1.00 0.00 N ATOM 0 H ASN A 23 2.276 13.712 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 23 3.297 16.173 -0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.157 16.158 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.852 15.924 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.133 13.281 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.154 15.043 0.565 1.00 0.00 H new ATOM 358 N GLY A 24 3.929 13.302 0.508 1.00 0.00 N ATOM 359 CA GLY A 24 4.530 12.514 1.580 1.00 0.00 C ATOM 360 C GLY A 24 3.457 11.886 2.463 1.00 0.00 C ATOM 361 O GLY A 24 3.716 11.542 3.616 1.00 0.00 O ATOM 0 H GLY A 24 3.971 12.868 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.158 11.732 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.178 13.149 2.184 1.00 0.00 H new ATOM 365 N TYR A 25 2.255 11.740 1.916 1.00 0.00 N ATOM 366 CA TYR A 25 1.147 11.154 2.663 1.00 0.00 C ATOM 367 C TYR A 25 0.123 10.554 1.710 1.00 0.00 C ATOM 368 O TYR A 25 -0.500 11.269 0.927 1.00 0.00 O ATOM 369 CB TYR A 25 0.482 12.228 3.533 1.00 0.00 C ATOM 370 CG TYR A 25 1.326 12.483 4.760 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.336 13.451 4.728 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.101 11.746 5.930 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.122 13.683 5.862 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.886 11.977 7.063 1.00 0.00 C ATOM 375 CZ TYR A 25 2.897 12.945 7.030 1.00 0.00 C ATOM 376 OH TYR A 25 3.670 13.172 8.149 1.00 0.00 O ATOM 0 H TYR A 25 2.023 12.018 0.962 1.00 0.00 H new ATOM 0 HA TYR A 25 1.536 10.361 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.364 13.150 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.517 11.905 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.509 14.020 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.321 10.999 5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.901 14.430 5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.713 11.408 7.965 1.00 0.00 H new ATOM 0 HH TYR A 25 3.382 12.576 8.872 1.00 0.00 H new ATOM 386 N ILE A 26 -0.061 9.241 1.798 1.00 0.00 N ATOM 387 CA ILE A 26 -1.019 8.551 0.944 1.00 0.00 C ATOM 388 C ILE A 26 -2.442 8.766 1.445 1.00 0.00 C ATOM 389 O ILE A 26 -2.709 8.688 2.646 1.00 0.00 O ATOM 390 CB ILE A 26 -0.700 7.061 0.896 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.618 6.839 0.157 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.827 6.312 0.175 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.106 5.407 0.401 1.00 0.00 C ATOM 0 H ILE A 26 0.439 8.636 2.450 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.943 8.964 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.610 6.682 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.482 7.011 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.366 7.553 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.594 5.248 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.765 6.463 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.924 6.693 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.047 5.248 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.258 5.251 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.361 4.701 0.034 1.00 0.00 H new ATOM 405 N SER A 27 -3.354 9.040 0.510 1.00 0.00 N ATOM 406 CA SER A 27 -4.758 9.275 0.856 1.00 0.00 C ATOM 407 C SER A 27 -5.673 8.374 0.034 1.00 0.00 C ATOM 408 O SER A 27 -5.298 7.892 -1.034 1.00 0.00 O ATOM 409 CB SER A 27 -5.114 10.738 0.601 1.00 0.00 C ATOM 410 OG SER A 27 -6.407 11.000 1.125 1.00 0.00 O ATOM 0 H SER A 27 -3.148 9.104 -0.487 1.00 0.00 H new ATOM 0 HA SER A 27 -4.898 9.043 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.379 11.391 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.092 10.950 -0.468 1.00 0.00 H new ATOM 0 HG SER A 27 -6.641 11.938 0.966 1.00 0.00 H new ATOM 416 N ALA A 28 -6.876 8.146 0.548 1.00 0.00 N ATOM 417 CA ALA A 28 -7.839 7.296 -0.139 1.00 0.00 C ATOM 418 C ALA A 28 -7.930 7.679 -1.613 1.00 0.00 C ATOM 419 O ALA A 28 -8.019 6.813 -2.482 1.00 0.00 O ATOM 420 CB ALA A 28 -9.223 7.444 0.509 1.00 0.00 C ATOM 0 H ALA A 28 -7.206 8.535 1.432 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.506 6.261 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.938 6.806 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.167 7.149 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.548 8.482 0.441 1.00 0.00 H new ATOM 426 N SER A 29 -7.912 8.979 -1.887 1.00 0.00 N ATOM 427 CA SER A 29 -8.001 9.456 -3.264 1.00 0.00 C ATOM 428 C SER A 29 -6.855 8.902 -4.103 1.00 0.00 C ATOM 429 O SER A 29 -7.075 8.308 -5.160 1.00 0.00 O ATOM 430 CB SER A 29 -7.955 10.986 -3.283 1.00 0.00 C ATOM 431 OG SER A 29 -8.463 11.455 -4.525 1.00 0.00 O ATOM 0 H SER A 29 -7.838 9.714 -1.184 1.00 0.00 H new ATOM 0 HA SER A 29 -8.943 9.110 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.545 11.389 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.931 11.332 -3.141 1.00 0.00 H new ATOM 0 HG SER A 29 -8.437 12.435 -4.540 1.00 0.00 H new ATOM 437 N GLU A 30 -5.632 9.091 -3.623 1.00 0.00 N ATOM 438 CA GLU A 30 -4.462 8.600 -4.337 1.00 0.00 C ATOM 439 C GLU A 30 -4.492 7.079 -4.422 1.00 0.00 C ATOM 440 O GLU A 30 -4.189 6.500 -5.465 1.00 0.00 O ATOM 441 CB GLU A 30 -3.184 9.051 -3.622 1.00 0.00 C ATOM 442 CG GLU A 30 -3.023 10.566 -3.766 1.00 0.00 C ATOM 443 CD GLU A 30 -1.723 11.016 -3.110 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.674 10.602 -3.576 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.793 11.768 -2.149 1.00 0.00 O ATOM 0 H GLU A 30 -5.426 9.577 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.474 9.011 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.230 8.779 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.319 8.541 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.022 10.841 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.869 11.076 -3.304 1.00 0.00 H new ATOM 452 N LEU A 31 -4.865 6.436 -3.324 1.00 0.00 N ATOM 453 CA LEU A 31 -4.922 4.979 -3.294 1.00 0.00 C ATOM 454 C LEU A 31 -5.956 4.463 -4.299 1.00 0.00 C ATOM 455 O LEU A 31 -5.712 3.500 -5.036 1.00 0.00 O ATOM 456 CB LEU A 31 -5.286 4.508 -1.873 1.00 0.00 C ATOM 457 CG LEU A 31 -4.603 3.168 -1.584 1.00 0.00 C ATOM 458 CD1 LEU A 31 -5.002 2.679 -0.196 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.027 2.139 -2.638 1.00 0.00 C ATOM 0 H LEU A 31 -5.130 6.893 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.946 4.580 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.973 5.252 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.367 4.404 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.521 3.297 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.515 1.725 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.693 3.411 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.084 2.551 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.541 1.186 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.109 2.009 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.734 2.490 -3.627 1.00 0.00 H new ATOM 471 N ARG A 32 -7.112 5.113 -4.329 1.00 0.00 N ATOM 472 CA ARG A 32 -8.169 4.719 -5.247 1.00 0.00 C ATOM 473 C ARG A 32 -7.700 4.863 -6.688 1.00 0.00 C ATOM 474 O ARG A 32 -7.975 4.005 -7.530 1.00 0.00 O ATOM 475 CB ARG A 32 -9.412 5.584 -5.019 1.00 0.00 C ATOM 476 CG ARG A 32 -10.534 5.123 -5.950 1.00 0.00 C ATOM 477 CD ARG A 32 -11.740 6.051 -5.795 1.00 0.00 C ATOM 478 NE ARG A 32 -12.278 5.960 -4.442 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.268 6.751 -4.043 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.775 7.628 -4.864 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.730 6.653 -2.826 1.00 0.00 N ATOM 0 H ARG A 32 -7.339 5.909 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.420 3.675 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.734 5.510 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.178 6.632 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.188 5.128 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.818 4.097 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.446 7.079 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.510 5.782 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.888 5.278 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.412 7.707 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.535 8.235 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.331 5.970 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.490 7.260 -2.519 1.00 0.00 H new ATOM 495 N HIS A 33 -6.993 5.954 -6.974 1.00 0.00 N ATOM 496 CA HIS A 33 -6.503 6.194 -8.320 1.00 0.00 C ATOM 497 C HIS A 33 -5.570 5.067 -8.744 1.00 0.00 C ATOM 498 O HIS A 33 -5.555 4.660 -9.906 1.00 0.00 O ATOM 499 CB HIS A 33 -5.777 7.563 -8.368 1.00 0.00 C ATOM 500 CG HIS A 33 -4.289 7.370 -8.502 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.412 7.635 -7.469 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.526 6.883 -9.530 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.181 7.310 -7.893 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.191 6.846 -9.145 1.00 0.00 N ATOM 0 H HIS A 33 -6.751 6.677 -6.296 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.341 6.219 -9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.150 8.149 -9.208 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.996 8.129 -7.462 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.904 6.575 -10.493 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.289 7.412 -7.293 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.393 6.533 -9.698 1.00 0.00 H new ATOM 512 N VAL A 34 -4.765 4.603 -7.797 1.00 0.00 N ATOM 513 CA VAL A 34 -3.805 3.539 -8.093 1.00 0.00 C ATOM 514 C VAL A 34 -4.542 2.256 -8.456 1.00 0.00 C ATOM 515 O VAL A 34 -4.186 1.571 -9.422 1.00 0.00 O ATOM 516 CB VAL A 34 -2.898 3.296 -6.881 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.100 2.005 -7.083 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.923 4.471 -6.715 1.00 0.00 C ATOM 0 H VAL A 34 -4.754 4.937 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.190 3.846 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.517 3.208 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.457 1.836 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.787 1.166 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.487 2.093 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.281 4.292 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.309 4.564 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.486 5.392 -6.564 1.00 0.00 H new ATOM 528 N MET A 35 -5.575 1.942 -7.684 1.00 0.00 N ATOM 529 CA MET A 35 -6.359 0.743 -7.943 1.00 0.00 C ATOM 530 C MET A 35 -7.026 0.821 -9.308 1.00 0.00 C ATOM 531 O MET A 35 -7.120 -0.182 -10.020 1.00 0.00 O ATOM 532 CB MET A 35 -7.417 0.560 -6.841 1.00 0.00 C ATOM 533 CG MET A 35 -6.825 -0.237 -5.677 1.00 0.00 C ATOM 534 SD MET A 35 -5.189 0.405 -5.257 1.00 0.00 S ATOM 535 CE MET A 35 -4.689 -0.950 -4.163 1.00 0.00 C ATOM 0 H MET A 35 -5.886 2.493 -6.884 1.00 0.00 H new ATOM 0 HA MET A 35 -5.690 -0.118 -7.939 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.760 1.533 -6.489 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.287 0.041 -7.243 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.483 -0.174 -4.810 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.753 -1.291 -5.946 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.751 -0.693 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.461 -1.114 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.553 -1.859 -4.749 1.00 0.00 H new ATOM 545 N ILE A 36 -7.492 2.009 -9.665 1.00 0.00 N ATOM 546 CA ILE A 36 -8.146 2.191 -10.952 1.00 0.00 C ATOM 547 C ILE A 36 -7.143 2.052 -12.089 1.00 0.00 C ATOM 548 O ILE A 36 -7.398 1.359 -13.073 1.00 0.00 O ATOM 549 CB ILE A 36 -8.809 3.571 -11.000 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.928 3.641 -9.944 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.409 3.807 -12.397 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.209 2.980 -10.477 1.00 0.00 C ATOM 0 H ILE A 36 -7.431 2.850 -9.091 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.907 1.420 -11.072 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.063 4.338 -10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.606 3.141 -9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.128 4.681 -9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.880 4.789 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.618 3.759 -13.145 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.154 3.040 -12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.990 3.037 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.538 3.498 -11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.008 1.935 -10.713 1.00 0.00 H new ATOM 564 N ASN A 37 -6.004 2.714 -11.938 1.00 0.00 N ATOM 565 CA ASN A 37 -4.957 2.658 -12.952 1.00 0.00 C ATOM 566 C ASN A 37 -4.533 1.212 -13.174 1.00 0.00 C ATOM 567 O ASN A 37 -4.076 0.846 -14.258 1.00 0.00 O ATOM 568 CB ASN A 37 -3.754 3.490 -12.514 1.00 0.00 C ATOM 569 CG ASN A 37 -2.650 3.400 -13.563 1.00 0.00 C ATOM 570 OD1 ASN A 37 -2.933 3.246 -14.751 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.404 3.486 -13.193 1.00 0.00 N ATOM 0 H ASN A 37 -5.781 3.293 -11.129 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.346 3.066 -13.885 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.051 4.529 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.384 3.133 -11.553 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.660 3.426 -13.888 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.172 3.614 -12.208 1.00 0.00 H new ATOM 578 N LEU A 38 -4.696 0.390 -12.140 1.00 0.00 N ATOM 579 CA LEU A 38 -4.340 -1.023 -12.237 1.00 0.00 C ATOM 580 C LEU A 38 -5.433 -1.812 -12.944 1.00 0.00 C ATOM 581 O LEU A 38 -5.396 -3.042 -12.985 1.00 0.00 O ATOM 582 CB LEU A 38 -4.108 -1.598 -10.840 1.00 0.00 C ATOM 583 CG LEU A 38 -2.800 -1.031 -10.263 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.767 -1.263 -8.751 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.591 -1.731 -10.911 1.00 0.00 C ATOM 0 H LEU A 38 -5.068 0.674 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.423 -1.106 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.945 -1.347 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.056 -2.686 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.752 0.037 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.840 -0.861 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.616 -0.761 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.821 -2.332 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.669 -1.323 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.638 -2.801 -10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.609 -1.565 -11.988 1.00 0.00 H new ATOM 597 N GLY A 39 -6.402 -1.098 -13.501 1.00 0.00 N ATOM 598 CA GLY A 39 -7.498 -1.742 -14.215 1.00 0.00 C ATOM 599 C GLY A 39 -8.415 -2.484 -13.258 1.00 0.00 C ATOM 600 O GLY A 39 -8.980 -3.519 -13.606 1.00 0.00 O ATOM 0 H GLY A 39 -6.452 -0.080 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.069 -0.992 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.097 -2.438 -14.952 1.00 0.00 H new ATOM 604 N GLU A 40 -8.558 -1.953 -12.047 1.00 0.00 N ATOM 605 CA GLU A 40 -9.416 -2.576 -11.036 1.00 0.00 C ATOM 606 C GLU A 40 -10.404 -1.565 -10.482 1.00 0.00 C ATOM 607 O GLU A 40 -10.094 -0.386 -10.366 1.00 0.00 O ATOM 608 CB GLU A 40 -8.561 -3.132 -9.899 1.00 0.00 C ATOM 609 CG GLU A 40 -7.726 -4.304 -10.414 1.00 0.00 C ATOM 610 CD GLU A 40 -6.841 -4.844 -9.297 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.952 -4.349 -8.187 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.069 -5.746 -9.568 1.00 0.00 O ATOM 0 H GLU A 40 -8.095 -1.098 -11.740 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.969 -3.390 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.909 -2.352 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.198 -3.459 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.381 -5.093 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.110 -3.981 -11.253 1.00 0.00 H new ATOM 619 N LYS A 41 -11.601 -2.034 -10.145 1.00 0.00 N ATOM 620 CA LYS A 41 -12.639 -1.156 -9.599 1.00 0.00 C ATOM 621 C LYS A 41 -13.031 -1.608 -8.201 1.00 0.00 C ATOM 622 O LYS A 41 -13.737 -2.602 -8.037 1.00 0.00 O ATOM 623 CB LYS A 41 -13.868 -1.181 -10.506 1.00 0.00 C ATOM 624 CG LYS A 41 -14.832 -0.072 -10.082 1.00 0.00 C ATOM 625 CD LYS A 41 -16.006 -0.015 -11.060 1.00 0.00 C ATOM 626 CE LYS A 41 -16.954 1.116 -10.655 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.052 1.227 -11.657 1.00 0.00 N ATOM 0 H LYS A 41 -11.879 -3.011 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.246 -0.141 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.570 -1.042 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.361 -2.151 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.196 -0.258 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.314 0.887 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.641 0.148 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.538 -0.966 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.368 0.921 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.408 2.057 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.696 1.996 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.648 1.432 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.578 0.331 -11.696 1.00 0.00 H new ATOM 641 N LEU A 42 -12.567 -0.871 -7.193 1.00 0.00 N ATOM 642 CA LEU A 42 -12.870 -1.200 -5.798 1.00 0.00 C ATOM 643 C LEU A 42 -13.727 -0.116 -5.169 1.00 0.00 C ATOM 644 O LEU A 42 -13.668 1.048 -5.566 1.00 0.00 O ATOM 645 CB LEU A 42 -11.568 -1.348 -5.011 1.00 0.00 C ATOM 646 CG LEU A 42 -10.864 -2.658 -5.419 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.354 -2.507 -5.232 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.370 -3.812 -4.544 1.00 0.00 C ATOM 0 H LEU A 42 -11.982 -0.044 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.422 -2.140 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.915 -0.497 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.776 -1.353 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.084 -2.872 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.857 -3.433 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.990 -1.690 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.137 -2.289 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.870 -4.736 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.154 -3.597 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.446 -3.924 -4.677 1.00 0.00 H new ATOM 660 N THR A 43 -14.533 -0.506 -4.186 1.00 0.00 N ATOM 661 CA THR A 43 -15.407 0.443 -3.514 1.00 0.00 C ATOM 662 C THR A 43 -14.641 1.221 -2.449 1.00 0.00 C ATOM 663 O THR A 43 -13.633 0.751 -1.924 1.00 0.00 O ATOM 664 CB THR A 43 -16.583 -0.302 -2.861 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.894 -1.456 -3.629 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.806 0.613 -2.792 1.00 0.00 C ATOM 0 H THR A 43 -14.597 -1.464 -3.841 1.00 0.00 H new ATOM 0 HA THR A 43 -15.786 1.146 -4.255 1.00 0.00 H new ATOM 0 HB THR A 43 -16.304 -0.599 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.642 -1.933 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.635 0.078 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.567 1.496 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.089 0.918 -3.799 1.00 0.00 H new ATOM 674 N ASP A 44 -15.129 2.411 -2.137 1.00 0.00 N ATOM 675 CA ASP A 44 -14.484 3.253 -1.135 1.00 0.00 C ATOM 676 C ASP A 44 -14.241 2.462 0.146 1.00 0.00 C ATOM 677 O ASP A 44 -13.256 2.687 0.849 1.00 0.00 O ATOM 678 CB ASP A 44 -15.359 4.470 -0.827 1.00 0.00 C ATOM 679 CG ASP A 44 -14.559 5.502 -0.038 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.342 5.411 -0.042 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.174 6.369 0.560 1.00 0.00 O ATOM 0 H ASP A 44 -15.965 2.816 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.526 3.590 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.722 4.911 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.235 4.163 -0.256 1.00 0.00 H new ATOM 686 N GLU A 45 -15.144 1.535 0.442 1.00 0.00 N ATOM 687 CA GLU A 45 -15.016 0.718 1.644 1.00 0.00 C ATOM 688 C GLU A 45 -13.662 0.016 1.669 1.00 0.00 C ATOM 689 O GLU A 45 -12.966 0.034 2.682 1.00 0.00 O ATOM 690 CB GLU A 45 -16.134 -0.328 1.681 1.00 0.00 C ATOM 691 CG GLU A 45 -17.489 0.373 1.803 1.00 0.00 C ATOM 692 CD GLU A 45 -17.591 1.083 3.149 1.00 0.00 C ATOM 693 OE1 GLU A 45 -16.836 0.729 4.040 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.418 1.971 3.268 1.00 0.00 O ATOM 0 H GLU A 45 -15.966 1.331 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.094 1.367 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.108 -0.935 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.986 -1.004 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.609 1.093 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.294 -0.355 1.705 1.00 0.00 H new ATOM 701 N GLU A 46 -13.295 -0.598 0.550 1.00 0.00 N ATOM 702 CA GLU A 46 -12.020 -1.300 0.461 1.00 0.00 C ATOM 703 C GLU A 46 -10.864 -0.344 0.756 1.00 0.00 C ATOM 704 O GLU A 46 -9.921 -0.690 1.474 1.00 0.00 O ATOM 705 CB GLU A 46 -11.851 -1.894 -0.937 1.00 0.00 C ATOM 706 CG GLU A 46 -12.916 -2.971 -1.169 1.00 0.00 C ATOM 707 CD GLU A 46 -12.669 -4.158 -0.247 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.547 -4.302 0.212 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.603 -4.906 -0.010 1.00 0.00 O ATOM 0 H GLU A 46 -13.856 -0.624 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.011 -2.102 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.941 -1.111 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.855 -2.324 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.908 -2.558 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.894 -3.297 -2.209 1.00 0.00 H new ATOM 716 N VAL A 47 -10.946 0.861 0.200 1.00 0.00 N ATOM 717 CA VAL A 47 -9.904 1.858 0.415 1.00 0.00 C ATOM 718 C VAL A 47 -9.840 2.263 1.887 1.00 0.00 C ATOM 719 O VAL A 47 -8.762 2.317 2.484 1.00 0.00 O ATOM 720 CB VAL A 47 -10.179 3.090 -0.449 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.185 4.195 -0.100 1.00 0.00 C ATOM 722 CG2 VAL A 47 -10.026 2.722 -1.926 1.00 0.00 C ATOM 0 H VAL A 47 -11.714 1.168 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.945 1.423 0.133 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.194 3.441 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.384 5.071 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.291 4.461 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.170 3.843 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.222 3.600 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.011 2.369 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.736 1.935 -2.180 1.00 0.00 H new ATOM 732 N GLU A 48 -11.004 2.546 2.465 1.00 0.00 N ATOM 733 CA GLU A 48 -11.067 2.946 3.864 1.00 0.00 C ATOM 734 C GLU A 48 -10.496 1.851 4.753 1.00 0.00 C ATOM 735 O GLU A 48 -9.667 2.116 5.618 1.00 0.00 O ATOM 736 CB GLU A 48 -12.518 3.223 4.262 1.00 0.00 C ATOM 737 CG GLU A 48 -13.014 4.483 3.551 1.00 0.00 C ATOM 738 CD GLU A 48 -14.488 4.714 3.864 1.00 0.00 C ATOM 739 OE1 GLU A 48 -15.046 3.924 4.609 1.00 0.00 O ATOM 740 OE2 GLU A 48 -15.039 5.675 3.355 1.00 0.00 O ATOM 0 H GLU A 48 -11.906 2.506 1.991 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.476 3.853 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.147 2.373 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.591 3.350 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.427 5.345 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.874 4.382 2.475 1.00 0.00 H new ATOM 747 N GLN A 49 -10.936 0.619 4.529 1.00 0.00 N ATOM 748 CA GLN A 49 -10.454 -0.506 5.323 1.00 0.00 C ATOM 749 C GLN A 49 -8.934 -0.590 5.271 1.00 0.00 C ATOM 750 O GLN A 49 -8.281 -0.828 6.287 1.00 0.00 O ATOM 751 CB GLN A 49 -11.059 -1.811 4.793 1.00 0.00 C ATOM 752 CG GLN A 49 -12.550 -1.864 5.127 1.00 0.00 C ATOM 753 CD GLN A 49 -12.740 -2.035 6.629 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.051 -2.840 7.254 1.00 0.00 O ATOM 755 NE2 GLN A 49 -13.641 -1.324 7.250 1.00 0.00 N ATOM 0 H GLN A 49 -11.619 0.374 3.812 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.760 -0.354 6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.916 -1.877 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.547 -2.666 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.039 -0.949 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.021 -2.691 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.211 -0.657 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.775 -1.435 8.255 1.00 0.00 H new ATOM 764 N MET A 50 -8.374 -0.387 4.086 1.00 0.00 N ATOM 765 CA MET A 50 -6.925 -0.441 3.922 1.00 0.00 C ATOM 766 C MET A 50 -6.252 0.641 4.765 1.00 0.00 C ATOM 767 O MET A 50 -5.230 0.394 5.412 1.00 0.00 O ATOM 768 CB MET A 50 -6.567 -0.226 2.450 1.00 0.00 C ATOM 769 CG MET A 50 -6.870 -1.499 1.659 1.00 0.00 C ATOM 770 SD MET A 50 -6.655 -1.165 -0.107 1.00 0.00 S ATOM 771 CE MET A 50 -4.856 -1.387 -0.179 1.00 0.00 C ATOM 0 H MET A 50 -8.893 -0.185 3.232 1.00 0.00 H new ATOM 0 HA MET A 50 -6.573 -1.419 4.251 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.136 0.611 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.512 0.031 2.355 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.205 -2.304 1.973 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.889 -1.831 1.857 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.560 -1.630 -1.200 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.363 -0.466 0.133 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.563 -2.199 0.487 1.00 0.00 H new ATOM 781 N ILE A 51 -6.838 1.833 4.762 1.00 0.00 N ATOM 782 CA ILE A 51 -6.285 2.936 5.533 1.00 0.00 C ATOM 783 C ILE A 51 -6.351 2.645 7.025 1.00 0.00 C ATOM 784 O ILE A 51 -5.396 2.892 7.751 1.00 0.00 O ATOM 785 CB ILE A 51 -7.051 4.225 5.228 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.774 4.651 3.785 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.600 5.339 6.181 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.746 5.761 3.379 1.00 0.00 C ATOM 0 H ILE A 51 -7.685 2.057 4.241 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.240 3.057 5.249 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.118 4.047 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.746 5.002 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.882 3.797 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.150 6.253 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.797 5.039 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.532 5.517 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.546 6.062 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.770 5.395 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.616 6.618 4.040 1.00 0.00 H new ATOM 800 N LYS A 52 -7.492 2.137 7.477 1.00 0.00 N ATOM 801 CA LYS A 52 -7.675 1.847 8.895 1.00 0.00 C ATOM 802 C LYS A 52 -6.632 0.852 9.382 1.00 0.00 C ATOM 803 O LYS A 52 -5.992 1.060 10.412 1.00 0.00 O ATOM 804 CB LYS A 52 -9.070 1.262 9.130 1.00 0.00 C ATOM 805 CG LYS A 52 -10.125 2.325 8.842 1.00 0.00 C ATOM 806 CD LYS A 52 -11.522 1.758 9.108 1.00 0.00 C ATOM 807 CE LYS A 52 -12.579 2.814 8.779 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.394 3.997 9.667 1.00 0.00 N ATOM 0 H LYS A 52 -8.297 1.919 6.889 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.563 2.779 9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.226 0.397 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.161 0.914 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.953 3.200 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.048 2.655 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.684 0.866 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.609 1.455 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.496 3.114 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.578 2.398 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.268 4.560 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.173 3.676 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.612 4.581 9.309 1.00 0.00 H new ATOM 822 N GLU A 53 -6.460 -0.228 8.632 1.00 0.00 N ATOM 823 CA GLU A 53 -5.493 -1.252 9.007 1.00 0.00 C ATOM 824 C GLU A 53 -4.086 -0.671 9.065 1.00 0.00 C ATOM 825 O GLU A 53 -3.340 -0.920 10.014 1.00 0.00 O ATOM 826 CB GLU A 53 -5.526 -2.398 7.990 1.00 0.00 C ATOM 827 CG GLU A 53 -6.879 -3.101 8.054 1.00 0.00 C ATOM 828 CD GLU A 53 -7.042 -3.804 9.397 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.035 -4.046 10.042 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.172 -4.089 9.765 1.00 0.00 O ATOM 0 H GLU A 53 -6.971 -0.417 7.770 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.760 -1.628 9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.353 -2.011 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.726 -3.108 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.681 -2.376 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.960 -3.825 7.244 1.00 0.00 H new ATOM 837 N ALA A 54 -3.720 0.088 8.038 1.00 0.00 N ATOM 838 CA ALA A 54 -2.391 0.682 7.980 1.00 0.00 C ATOM 839 C ALA A 54 -2.226 1.774 9.027 1.00 0.00 C ATOM 840 O ALA A 54 -1.231 1.812 9.744 1.00 0.00 O ATOM 841 CB ALA A 54 -2.147 1.275 6.591 1.00 0.00 C ATOM 0 H ALA A 54 -4.319 0.305 7.241 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.664 -0.105 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.152 1.718 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.222 0.488 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.893 2.043 6.387 1.00 0.00 H new ATOM 847 N ASP A 55 -3.208 2.662 9.108 1.00 0.00 N ATOM 848 CA ASP A 55 -3.152 3.758 10.066 1.00 0.00 C ATOM 849 C ASP A 55 -3.298 3.247 11.490 1.00 0.00 C ATOM 850 O ASP A 55 -4.298 2.617 11.837 1.00 0.00 O ATOM 851 CB ASP A 55 -4.275 4.765 9.779 1.00 0.00 C ATOM 852 CG ASP A 55 -3.911 5.631 8.579 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.793 5.519 8.106 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.752 6.409 8.160 1.00 0.00 O ATOM 0 H ASP A 55 -4.046 2.646 8.527 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.181 4.243 9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.208 4.235 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.442 5.394 10.653 1.00 0.00 H new ATOM 859 N LEU A 56 -2.297 3.528 12.319 1.00 0.00 N ATOM 860 CA LEU A 56 -2.331 3.109 13.720 1.00 0.00 C ATOM 861 C LEU A 56 -2.707 4.283 14.612 1.00 0.00 C ATOM 862 O LEU A 56 -3.125 4.090 15.751 1.00 0.00 O ATOM 863 CB LEU A 56 -0.957 2.555 14.139 1.00 0.00 C ATOM 864 CG LEU A 56 -0.864 1.069 13.779 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.881 0.906 12.262 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.429 0.492 14.344 1.00 0.00 C ATOM 0 H LEU A 56 -1.457 4.040 12.049 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.081 2.326 13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.163 3.110 13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.813 2.688 15.211 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.715 0.538 14.205 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.815 -0.152 12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.808 1.317 11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.033 1.436 11.830 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.497 -0.566 14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.281 1.023 13.919 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.435 0.605 15.428 1.00 0.00 H new ATOM 878 N ASP A 57 -2.554 5.493 14.090 1.00 0.00 N ATOM 879 CA ASP A 57 -2.883 6.696 14.853 1.00 0.00 C ATOM 880 C ASP A 57 -4.230 7.255 14.410 1.00 0.00 C ATOM 881 O ASP A 57 -4.635 8.335 14.839 1.00 0.00 O ATOM 882 CB ASP A 57 -1.799 7.753 14.654 1.00 0.00 C ATOM 883 CG ASP A 57 -1.596 8.024 13.165 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.018 7.202 12.364 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.017 9.048 12.847 1.00 0.00 O ATOM 0 H ASP A 57 -2.207 5.670 13.147 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.940 6.432 15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.081 8.674 15.164 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.864 7.415 15.101 1.00 0.00 H new ATOM 890 N GLY A 58 -4.922 6.513 13.550 1.00 0.00 N ATOM 891 CA GLY A 58 -6.223 6.948 13.057 1.00 0.00 C ATOM 892 C GLY A 58 -6.176 8.404 12.613 1.00 0.00 C ATOM 893 O GLY A 58 -7.069 9.188 12.933 1.00 0.00 O ATOM 0 H GLY A 58 -4.606 5.615 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.529 6.318 12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.972 6.826 13.839 1.00 0.00 H new ATOM 897 N ASP A 59 -5.130 8.763 11.876 1.00 0.00 N ATOM 898 CA ASP A 59 -4.975 10.132 11.391 1.00 0.00 C ATOM 899 C ASP A 59 -5.675 10.306 10.049 1.00 0.00 C ATOM 900 O ASP A 59 -6.018 11.420 9.658 1.00 0.00 O ATOM 901 CB ASP A 59 -3.491 10.470 11.248 1.00 0.00 C ATOM 902 CG ASP A 59 -2.882 9.691 10.089 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.548 8.801 9.589 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.760 9.991 9.720 1.00 0.00 O ATOM 0 H ASP A 59 -4.379 8.129 11.602 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.431 10.809 12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.369 11.540 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.965 10.230 12.172 1.00 0.00 H new ATOM 909 N GLY A 60 -5.884 9.196 9.346 1.00 0.00 N ATOM 910 CA GLY A 60 -6.546 9.232 8.045 1.00 0.00 C ATOM 911 C GLY A 60 -5.526 9.283 6.918 1.00 0.00 C ATOM 912 O GLY A 60 -5.875 9.118 5.750 1.00 0.00 O ATOM 0 H GLY A 60 -5.606 8.264 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.178 8.351 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.200 10.103 7.989 1.00 0.00 H new ATOM 916 N GLN A 61 -4.262 9.520 7.270 1.00 0.00 N ATOM 917 CA GLN A 61 -3.196 9.598 6.271 1.00 0.00 C ATOM 918 C GLN A 61 -2.220 8.440 6.437 1.00 0.00 C ATOM 919 O GLN A 61 -1.572 8.302 7.479 1.00 0.00 O ATOM 920 CB GLN A 61 -2.444 10.923 6.421 1.00 0.00 C ATOM 921 CG GLN A 61 -3.436 12.057 6.649 1.00 0.00 C ATOM 922 CD GLN A 61 -2.697 13.385 6.775 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.957 13.594 7.735 1.00 0.00 O ATOM 924 NE2 GLN A 61 -2.862 14.302 5.861 1.00 0.00 N ATOM 0 H GLN A 61 -3.953 9.660 8.232 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.645 9.540 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.747 10.864 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.853 11.119 5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.143 12.103 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.015 11.867 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.476 14.125 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.376 15.195 5.941 1.00 0.00 H new ATOM 933 N VAL A 62 -2.122 7.605 5.406 1.00 0.00 N ATOM 934 CA VAL A 62 -1.219 6.460 5.449 1.00 0.00 C ATOM 935 C VAL A 62 0.198 6.893 5.088 1.00 0.00 C ATOM 936 O VAL A 62 0.489 7.200 3.929 1.00 0.00 O ATOM 937 CB VAL A 62 -1.692 5.381 4.477 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.671 4.245 4.430 1.00 0.00 C ATOM 939 CG2 VAL A 62 -3.040 4.839 4.929 1.00 0.00 C ATOM 0 H VAL A 62 -2.651 7.698 4.539 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.220 6.054 6.461 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.793 5.814 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.012 3.477 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.291 4.634 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.562 3.812 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.375 4.069 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.944 4.410 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.769 5.649 4.952 1.00 0.00 H new ATOM 949 N ASN A 63 1.074 6.922 6.088 1.00 0.00 N ATOM 950 CA ASN A 63 2.460 7.323 5.869 1.00 0.00 C ATOM 951 C ASN A 63 3.291 6.144 5.368 1.00 0.00 C ATOM 952 O ASN A 63 2.894 4.991 5.489 1.00 0.00 O ATOM 953 CB ASN A 63 3.061 7.860 7.172 1.00 0.00 C ATOM 954 CG ASN A 63 2.027 8.690 7.920 1.00 0.00 C ATOM 955 OD1 ASN A 63 2.197 8.972 9.107 1.00 0.00 O ATOM 956 ND2 ASN A 63 0.956 9.100 7.298 1.00 0.00 N ATOM 0 H ASN A 63 0.851 6.674 7.052 1.00 0.00 H new ATOM 0 HA ASN A 63 2.475 8.107 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.395 7.031 7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.939 8.468 6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.259 9.655 7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.816 8.866 6.315 1.00 0.00 H new ATOM 963 N TYR A 64 4.449 6.442 4.796 1.00 0.00 N ATOM 964 CA TYR A 64 5.318 5.393 4.279 1.00 0.00 C ATOM 965 C TYR A 64 5.521 4.297 5.317 1.00 0.00 C ATOM 966 O TYR A 64 5.034 3.183 5.146 1.00 0.00 O ATOM 967 CB TYR A 64 6.676 5.986 3.900 1.00 0.00 C ATOM 968 CG TYR A 64 7.603 4.881 3.440 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.284 4.133 2.303 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.778 4.602 4.152 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.137 3.110 1.872 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.630 3.581 3.723 1.00 0.00 C ATOM 973 CZ TYR A 64 9.310 2.835 2.583 1.00 0.00 C ATOM 974 OH TYR A 64 10.151 1.826 2.162 1.00 0.00 O ATOM 0 H TYR A 64 4.806 7.390 4.679 1.00 0.00 H new ATOM 0 HA TYR A 64 4.844 4.960 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.553 6.725 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.109 6.505 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.377 4.345 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.025 5.177 5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.890 2.534 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.536 3.368 4.271 1.00 0.00 H new ATOM 0 HH TYR A 64 10.920 1.768 2.766 1.00 0.00 H new ATOM 984 N GLU A 65 6.242 4.621 6.383 1.00 0.00 N ATOM 985 CA GLU A 65 6.513 3.647 7.445 1.00 0.00 C ATOM 986 C GLU A 65 5.307 2.736 7.669 1.00 0.00 C ATOM 987 O GLU A 65 5.445 1.514 7.724 1.00 0.00 O ATOM 988 CB GLU A 65 6.848 4.380 8.752 1.00 0.00 C ATOM 989 CG GLU A 65 5.993 5.647 8.862 1.00 0.00 C ATOM 990 CD GLU A 65 6.247 6.331 10.197 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.514 5.628 11.158 1.00 0.00 O ATOM 992 OE2 GLU A 65 6.170 7.547 10.241 1.00 0.00 O ATOM 0 H GLU A 65 6.649 5.543 6.539 1.00 0.00 H new ATOM 0 HA GLU A 65 7.361 3.035 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.662 3.728 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.906 4.640 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.230 6.328 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.937 5.393 8.769 1.00 0.00 H new ATOM 999 N GLU A 66 4.129 3.343 7.791 1.00 0.00 N ATOM 1000 CA GLU A 66 2.910 2.583 8.015 1.00 0.00 C ATOM 1001 C GLU A 66 2.720 1.531 6.916 1.00 0.00 C ATOM 1002 O GLU A 66 2.293 0.398 7.170 1.00 0.00 O ATOM 1003 CB GLU A 66 1.699 3.516 8.060 1.00 0.00 C ATOM 1004 CG GLU A 66 1.782 4.401 9.303 1.00 0.00 C ATOM 1005 CD GLU A 66 0.522 5.244 9.425 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.099 5.799 8.422 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -0.005 5.318 10.522 1.00 0.00 O ATOM 0 H GLU A 66 3.997 4.353 7.738 1.00 0.00 H new ATOM 0 HA GLU A 66 2.998 2.074 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.669 4.134 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.778 2.933 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.904 3.783 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.658 5.047 9.242 1.00 0.00 H new ATOM 1014 N PHE A 67 3.047 1.910 5.693 1.00 0.00 N ATOM 1015 CA PHE A 67 2.923 0.997 4.568 1.00 0.00 C ATOM 1016 C PHE A 67 3.955 -0.123 4.668 1.00 0.00 C ATOM 1017 O PHE A 67 3.655 -1.285 4.393 1.00 0.00 O ATOM 1018 CB PHE A 67 3.101 1.755 3.253 1.00 0.00 C ATOM 1019 CG PHE A 67 3.044 0.782 2.097 1.00 0.00 C ATOM 1020 CD1 PHE A 67 1.872 0.056 1.850 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.162 0.607 1.271 1.00 0.00 C ATOM 1022 CE1 PHE A 67 1.821 -0.844 0.780 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.109 -0.292 0.202 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.937 -1.017 -0.043 1.00 0.00 C ATOM 0 H PHE A 67 3.398 2.837 5.453 1.00 0.00 H new ATOM 0 HA PHE A 67 1.927 0.555 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.320 2.508 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.055 2.282 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.009 0.191 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.066 1.167 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.918 -1.406 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.971 -0.427 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.895 -1.711 -0.869 1.00 0.00 H new ATOM 1034 N VAL A 68 5.179 0.241 5.046 1.00 0.00 N ATOM 1035 CA VAL A 68 6.249 -0.741 5.148 1.00 0.00 C ATOM 1036 C VAL A 68 5.865 -1.859 6.110 1.00 0.00 C ATOM 1037 O VAL A 68 5.914 -3.039 5.762 1.00 0.00 O ATOM 1038 CB VAL A 68 7.524 -0.060 5.661 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.607 -1.113 5.917 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.027 0.941 4.620 1.00 0.00 C ATOM 0 H VAL A 68 5.449 1.196 5.283 1.00 0.00 H new ATOM 0 HA VAL A 68 6.421 -1.166 4.159 1.00 0.00 H new ATOM 0 HB VAL A 68 7.300 0.463 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.511 -0.624 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.253 -1.825 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.828 -1.640 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.933 1.423 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.246 0.418 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.261 1.696 4.441 1.00 0.00 H new ATOM 1050 N LYS A 69 5.464 -1.484 7.324 1.00 0.00 N ATOM 1051 CA LYS A 69 5.070 -2.471 8.318 1.00 0.00 C ATOM 1052 C LYS A 69 3.946 -3.349 7.780 1.00 0.00 C ATOM 1053 O LYS A 69 3.926 -4.564 8.008 1.00 0.00 O ATOM 1054 CB LYS A 69 4.622 -1.772 9.602 1.00 0.00 C ATOM 1055 CG LYS A 69 3.524 -0.764 9.282 1.00 0.00 C ATOM 1056 CD LYS A 69 2.939 -0.206 10.577 1.00 0.00 C ATOM 1057 CE LYS A 69 4.036 0.494 11.377 1.00 0.00 C ATOM 1058 NZ LYS A 69 4.950 1.218 10.447 1.00 0.00 N ATOM 0 H LYS A 69 5.405 -0.515 7.637 1.00 0.00 H new ATOM 0 HA LYS A 69 5.929 -3.104 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.256 -2.507 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.469 -1.267 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.928 0.047 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.740 -1.241 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.136 0.495 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.503 -1.012 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.593 1.194 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.598 -0.236 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.916 0.847 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.629 1.079 9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.943 2.233 10.673 1.00 0.00 H new ATOM 1072 N MET A 70 3.009 -2.732 7.059 1.00 0.00 N ATOM 1073 CA MET A 70 1.900 -3.479 6.493 1.00 0.00 C ATOM 1074 C MET A 70 2.404 -4.490 5.475 1.00 0.00 C ATOM 1075 O MET A 70 1.952 -5.632 5.458 1.00 0.00 O ATOM 1076 CB MET A 70 0.915 -2.513 5.825 1.00 0.00 C ATOM 1077 CG MET A 70 0.068 -1.803 6.885 1.00 0.00 C ATOM 1078 SD MET A 70 -0.915 -3.012 7.815 1.00 0.00 S ATOM 1079 CE MET A 70 -1.909 -3.611 6.428 1.00 0.00 C ATOM 0 H MET A 70 3.000 -1.732 6.859 1.00 0.00 H new ATOM 0 HA MET A 70 1.393 -4.016 7.294 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.460 -1.778 5.233 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.268 -3.059 5.138 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.714 -1.248 7.565 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.591 -1.077 6.408 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.959 -3.645 6.720 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.790 -2.939 5.578 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.578 -4.611 6.148 1.00 0.00 H new ATOM 1089 N MET A 71 3.340 -4.062 4.641 1.00 0.00 N ATOM 1090 CA MET A 71 3.909 -4.943 3.624 1.00 0.00 C ATOM 1091 C MET A 71 4.634 -6.108 4.289 1.00 0.00 C ATOM 1092 O MET A 71 4.686 -7.211 3.749 1.00 0.00 O ATOM 1093 CB MET A 71 4.879 -4.162 2.738 1.00 0.00 C ATOM 1094 CG MET A 71 4.095 -3.189 1.852 1.00 0.00 C ATOM 1095 SD MET A 71 3.147 -4.113 0.617 1.00 0.00 S ATOM 1096 CE MET A 71 4.464 -4.259 -0.621 1.00 0.00 C ATOM 0 H MET A 71 3.722 -3.116 4.645 1.00 0.00 H new ATOM 0 HA MET A 71 3.102 -5.335 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.591 -3.614 3.355 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.456 -4.849 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.423 -2.586 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.780 -2.500 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.051 -4.662 -1.546 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.893 -3.276 -0.813 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.240 -4.927 -0.249 1.00 0.00 H new ATOM 1106 N MET A 72 5.197 -5.856 5.462 1.00 0.00 N ATOM 1107 CA MET A 72 5.897 -6.907 6.193 1.00 0.00 C ATOM 1108 C MET A 72 4.910 -7.950 6.709 1.00 0.00 C ATOM 1109 O MET A 72 5.143 -9.151 6.582 1.00 0.00 O ATOM 1110 CB MET A 72 6.665 -6.294 7.373 1.00 0.00 C ATOM 1111 CG MET A 72 8.021 -5.770 6.892 1.00 0.00 C ATOM 1112 SD MET A 72 7.809 -4.871 5.335 1.00 0.00 S ATOM 1113 CE MET A 72 9.558 -4.601 4.988 1.00 0.00 C ATOM 0 H MET A 72 5.185 -4.947 5.924 1.00 0.00 H new ATOM 0 HA MET A 72 6.598 -7.395 5.515 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.086 -5.482 7.813 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.809 -7.042 8.153 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.457 -5.114 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.714 -6.600 6.753 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.687 -4.368 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.924 -3.770 5.591 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.121 -5.502 5.232 1.00 0.00 H new ATOM 1123 N THR A 73 3.815 -7.482 7.296 1.00 0.00 N ATOM 1124 CA THR A 73 2.808 -8.389 7.837 1.00 0.00 C ATOM 1125 C THR A 73 2.212 -9.238 6.733 1.00 0.00 C ATOM 1126 O THR A 73 2.411 -10.443 6.720 1.00 0.00 O ATOM 1127 CB THR A 73 1.699 -7.585 8.524 1.00 0.00 C ATOM 1128 OG1 THR A 73 1.433 -6.415 7.767 1.00 0.00 O ATOM 1129 CG2 THR A 73 2.143 -7.199 9.935 1.00 0.00 C ATOM 0 H THR A 73 3.602 -6.491 7.409 1.00 0.00 H new ATOM 0 HA THR A 73 3.286 -9.044 8.565 1.00 0.00 H new ATOM 0 HB THR A 73 0.794 -8.190 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.917 -6.459 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.353 -6.627 10.421 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.346 -8.101 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.047 -6.593 9.879 1.00 0.00 H new ATOM 1137 N VAL A 74 1.469 -8.598 5.823 1.00 0.00 N ATOM 1138 CA VAL A 74 0.826 -9.311 4.714 1.00 0.00 C ATOM 1139 C VAL A 74 1.669 -10.508 4.282 1.00 0.00 C ATOM 1140 O VAL A 74 1.137 -11.536 3.857 1.00 0.00 O ATOM 1141 CB VAL A 74 0.649 -8.359 3.530 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -0.267 -7.200 3.934 1.00 0.00 C ATOM 1143 CG2 VAL A 74 2.003 -7.817 3.116 1.00 0.00 C ATOM 0 H VAL A 74 1.299 -7.592 5.832 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.147 -9.672 5.049 1.00 0.00 H new ATOM 0 HB VAL A 74 0.200 -8.896 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.392 -6.523 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.240 -7.592 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.177 -6.659 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.881 -7.138 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.451 -7.280 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.652 -8.643 2.826 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.914 -8.282 5.773 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.306 -7.157 4.939 1.00 0.00 C ATOM 1207 C GLY A 80 -5.920 -7.646 3.635 1.00 0.00 C ATOM 1208 O GLY A 80 -5.269 -8.326 2.857 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.023 -6.533 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.437 -6.534 4.727 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.175 -7.296 3.404 1.00 0.00 N ATOM 1213 CA ASN A 81 -7.860 -7.722 2.185 1.00 0.00 C ATOM 1214 C ASN A 81 -7.361 -6.926 0.978 1.00 0.00 C ATOM 1215 O ASN A 81 -7.019 -7.492 -0.068 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.372 -7.512 2.348 1.00 0.00 C ATOM 1217 CG ASN A 81 -9.671 -6.037 2.602 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -8.809 -5.303 3.086 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -10.847 -5.556 2.303 1.00 0.00 N ATOM 0 H ASN A 81 -7.738 -6.725 4.034 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.648 -8.778 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.893 -7.848 1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.744 -8.115 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.053 -4.571 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.560 -6.165 1.902 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.297 -5.613 1.131 1.00 0.00 N ATOM 1227 CA GLY A 82 -6.827 -4.758 0.054 1.00 0.00 C ATOM 1228 C GLY A 82 -5.307 -4.816 -0.082 1.00 0.00 C ATOM 1229 O GLY A 82 -4.769 -4.863 -1.193 1.00 0.00 O ATOM 0 H GLY A 82 -7.562 -5.120 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.290 -5.065 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.138 -3.730 0.242 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.618 -4.807 1.057 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.162 -4.851 1.051 1.00 0.00 C ATOM 1235 C TRP A 83 -2.678 -6.170 0.453 1.00 0.00 C ATOM 1236 O TRP A 83 -1.782 -6.192 -0.396 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.635 -4.698 2.477 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.048 -3.372 3.025 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.935 -3.190 4.031 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.615 -2.043 2.615 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.065 -1.834 4.271 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.274 -1.085 3.422 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.722 -1.580 1.633 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -3.054 0.284 3.257 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.500 -0.203 1.465 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.165 0.726 2.277 1.00 0.00 C ATOM 0 H TRP A 83 -5.041 -4.770 1.985 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.784 -4.031 0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.022 -5.499 3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.548 -4.783 2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.456 -3.975 4.560 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.671 -1.436 4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.203 -2.288 1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.569 0.996 3.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.813 0.142 0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.989 1.783 2.144 1.00 0.00 H new ATOM 1257 N SER A 84 -3.282 -7.269 0.897 1.00 0.00 N ATOM 1258 CA SER A 84 -2.917 -8.588 0.394 1.00 0.00 C ATOM 1259 C SER A 84 -3.177 -8.667 -1.105 1.00 0.00 C ATOM 1260 O SER A 84 -2.442 -9.339 -1.834 1.00 0.00 O ATOM 1261 CB SER A 84 -3.714 -9.671 1.115 1.00 0.00 C ATOM 1262 OG SER A 84 -3.323 -10.947 0.629 1.00 0.00 O ATOM 0 H SER A 84 -4.022 -7.272 1.599 1.00 0.00 H new ATOM 0 HA SER A 84 -1.855 -8.749 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.541 -9.610 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.782 -9.520 0.955 1.00 0.00 H new ATOM 0 HG SER A 84 -3.833 -11.644 1.092 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.220 -7.972 -1.563 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.537 -7.964 -2.985 1.00 0.00 C ATOM 1270 C ARG A 85 -3.445 -7.270 -3.781 1.00 0.00 C ATOM 1271 O ARG A 85 -3.072 -7.720 -4.866 1.00 0.00 O ATOM 1272 CB ARG A 85 -5.880 -7.261 -3.206 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.030 -8.179 -2.751 1.00 0.00 C ATOM 1274 CD ARG A 85 -7.468 -9.066 -3.919 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.057 -8.249 -4.972 1.00 0.00 N ATOM 1276 CZ ARG A 85 -8.451 -8.790 -6.118 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -8.309 -10.073 -6.316 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -8.978 -8.041 -7.048 1.00 0.00 N ATOM 0 H ARG A 85 -4.847 -7.418 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.605 -8.995 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.907 -6.325 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.999 -7.008 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.707 -8.796 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.870 -7.580 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.612 -9.616 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.191 -9.805 -3.574 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.168 -7.246 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.896 -10.658 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.612 -10.490 -7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.087 -7.039 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.280 -8.458 -7.928 1.00 0.00 H new ATOM 1292 N LEU A 86 -2.937 -6.176 -3.239 1.00 0.00 N ATOM 1293 CA LEU A 86 -1.880 -5.433 -3.902 1.00 0.00 C ATOM 1294 C LEU A 86 -0.600 -6.259 -3.944 1.00 0.00 C ATOM 1295 O LEU A 86 0.183 -6.165 -4.887 1.00 0.00 O ATOM 1296 CB LEU A 86 -1.626 -4.109 -3.175 1.00 0.00 C ATOM 1297 CG LEU A 86 -0.649 -3.242 -3.989 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.375 -2.622 -5.192 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.092 -2.134 -3.098 1.00 0.00 C ATOM 0 H LEU A 86 -3.238 -5.785 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.194 -5.219 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.566 -3.576 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.215 -4.302 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 86 0.169 -3.865 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.676 -2.010 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.767 -3.415 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.198 -2.000 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.600 -1.519 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.911 -1.514 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.433 -2.577 -2.252 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.386 -7.052 -2.902 1.00 0.00 N ATOM 1312 CA ARG A 87 0.806 -7.882 -2.826 1.00 0.00 C ATOM 1313 C ARG A 87 0.716 -9.036 -3.823 1.00 0.00 C ATOM 1314 O ARG A 87 1.491 -9.122 -4.769 1.00 0.00 O ATOM 1315 CB ARG A 87 0.956 -8.442 -1.410 1.00 0.00 C ATOM 1316 CG ARG A 87 2.405 -8.905 -1.192 1.00 0.00 C ATOM 1317 CD ARG A 87 3.331 -7.689 -0.984 1.00 0.00 C ATOM 1318 NE ARG A 87 3.914 -7.282 -2.255 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.881 -7.988 -2.826 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.320 -9.073 -2.250 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.395 -7.595 -3.960 1.00 0.00 N ATOM 0 H ARG A 87 -1.017 -7.137 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 87 1.674 -7.270 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.692 -7.680 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.270 -9.277 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.457 -9.563 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.742 -9.484 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.767 -6.862 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.121 -7.940 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 87 3.572 -6.438 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.920 -9.377 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.063 -9.617 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.053 -6.745 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.139 -8.138 -4.398 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.230 -9.930 -3.596 1.00 0.00 N ATOM 1336 CA ARG A 88 -0.396 -11.082 -4.481 1.00 0.00 C ATOM 1337 C ARG A 88 -0.338 -10.640 -5.941 1.00 0.00 C ATOM 1338 O ARG A 88 0.260 -11.314 -6.781 1.00 0.00 O ATOM 1339 CB ARG A 88 -1.743 -11.748 -4.206 1.00 0.00 C ATOM 1340 CG ARG A 88 -1.886 -12.996 -5.079 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.188 -13.719 -4.729 1.00 0.00 C ATOM 1342 NE ARG A 88 -3.116 -14.256 -3.375 1.00 0.00 N ATOM 1343 CZ ARG A 88 -4.137 -14.920 -2.844 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -5.228 -15.102 -3.537 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.051 -15.390 -1.630 1.00 0.00 N ATOM 0 H ARG A 88 -0.889 -9.887 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 88 0.411 -11.790 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.818 -12.018 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.554 -11.051 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.885 -12.717 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.036 -13.660 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.029 -13.030 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.367 -14.526 -5.439 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.267 -14.119 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.297 -14.735 -4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.012 -15.612 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.199 -15.248 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.836 -15.900 -1.224 1.00 0.00 H new