USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 30:sc= -3.5! USER MOD Set 1.2: A 45 TYR OH : rot 60:sc= -0.242 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.438 USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0441) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc= -0.171 (180deg=-0.611) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 37 LYS NZ :NH3+ -103:sc= -0.0708 (180deg=-0.636) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -13:sc= 0.768 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.75! USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.012 -13.617 -0.507 1.00 0.00 N ATOM 18 CA THR A 2 4.612 -12.474 -1.187 1.00 0.00 C ATOM 19 C THR A 2 3.540 -11.526 -1.702 1.00 0.00 C ATOM 20 O THR A 2 2.699 -11.900 -2.518 1.00 0.00 O ATOM 21 CB THR A 2 5.484 -12.948 -2.351 1.00 0.00 C ATOM 22 OG1 THR A 2 6.176 -14.138 -2.006 1.00 0.00 O ATOM 23 CG2 THR A 2 6.514 -11.933 -2.784 1.00 0.00 C ATOM 0 HA THR A 2 5.232 -11.940 -0.467 1.00 0.00 H new ATOM 0 HB THR A 2 4.793 -13.114 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.642 -14.653 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.096 -12.336 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.013 -11.019 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.178 -11.710 -1.949 1.00 0.00 H new ATOM 31 N TYR A 3 3.573 -10.289 -1.216 1.00 0.00 N ATOM 32 CA TYR A 3 2.599 -9.281 -1.624 1.00 0.00 C ATOM 33 C TYR A 3 3.234 -8.250 -2.552 1.00 0.00 C ATOM 34 O TYR A 3 4.438 -8.001 -2.488 1.00 0.00 O ATOM 35 CB TYR A 3 2.021 -8.577 -0.397 1.00 0.00 C ATOM 36 CG TYR A 3 0.876 -9.313 0.259 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.830 -10.702 0.284 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.161 -8.611 0.853 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.220 -11.369 0.885 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.216 -9.270 1.455 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.241 -10.649 1.468 1.00 0.00 C ATOM 42 OH TYR A 3 -2.289 -11.309 2.067 1.00 0.00 O ATOM 0 H TYR A 3 4.262 -9.960 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 3 1.798 -9.788 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.816 -8.438 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.680 -7.584 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.628 -11.269 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.144 -7.531 0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.241 -12.449 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.017 -8.708 1.913 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.976 -12.168 2.420 1.00 0.00 H new ATOM 52 N LYS A 4 2.410 -7.648 -3.409 1.00 0.00 N ATOM 53 CA LYS A 4 2.887 -6.638 -4.349 1.00 0.00 C ATOM 54 C LYS A 4 2.039 -5.369 -4.271 1.00 0.00 C ATOM 55 O LYS A 4 0.812 -5.432 -4.218 1.00 0.00 O ATOM 56 CB LYS A 4 2.868 -7.192 -5.775 1.00 0.00 C ATOM 57 CG LYS A 4 4.162 -7.884 -6.174 1.00 0.00 C ATOM 58 CD LYS A 4 3.898 -9.215 -6.862 1.00 0.00 C ATOM 59 CE LYS A 4 4.832 -10.297 -6.353 1.00 0.00 C ATOM 60 NZ LYS A 4 6.263 -9.938 -6.554 1.00 0.00 N ATOM 0 H LYS A 4 1.411 -7.843 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 4 3.911 -6.382 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.043 -7.898 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.672 -6.376 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.731 -7.236 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.776 -8.047 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.864 -9.515 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.024 -9.101 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.646 -10.467 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.617 -11.233 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.859 -10.770 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.407 -9.620 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.524 -9.173 -5.900 1.00 0.00 H new ATOM 74 N LEU A 5 2.708 -4.218 -4.256 1.00 0.00 N ATOM 75 CA LEU A 5 2.021 -2.930 -4.179 1.00 0.00 C ATOM 76 C LEU A 5 2.320 -2.055 -5.373 1.00 0.00 C ATOM 77 O LEU A 5 3.450 -2.004 -5.859 1.00 0.00 O ATOM 78 CB LEU A 5 2.442 -2.129 -2.944 1.00 0.00 C ATOM 79 CG LEU A 5 1.598 -0.871 -2.682 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.113 -1.181 -2.750 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.954 -0.248 -1.339 1.00 0.00 C ATOM 0 H LEU A 5 3.725 -4.151 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 5 0.961 -3.179 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.386 -2.777 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.485 -1.834 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 5 1.828 -0.150 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.458 -0.272 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.134 -1.565 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.137 -1.930 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.344 0.640 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.766 -0.968 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.008 0.030 -1.335 1.00 0.00 H new ATOM 93 N ILE A 6 1.317 -1.311 -5.791 1.00 0.00 N ATOM 94 CA ILE A 6 1.480 -0.368 -6.869 1.00 0.00 C ATOM 95 C ILE A 6 0.800 0.938 -6.480 1.00 0.00 C ATOM 96 O ILE A 6 -0.413 0.976 -6.275 1.00 0.00 O ATOM 97 CB ILE A 6 0.892 -0.886 -8.196 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.432 -2.283 -8.511 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.210 0.079 -9.329 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.934 -2.325 -8.684 1.00 0.00 C ATOM 0 H ILE A 6 0.377 -1.344 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 6 2.547 -0.217 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.191 -0.952 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.148 -2.963 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.959 -2.650 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.788 -0.301 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.779 1.055 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.291 0.174 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.246 -3.346 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.224 -1.671 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.416 -1.989 -7.766 1.00 0.00 H new ATOM 112 N LEU A 7 1.585 2.000 -6.348 1.00 0.00 N ATOM 113 CA LEU A 7 1.042 3.290 -5.947 1.00 0.00 C ATOM 114 C LEU A 7 0.897 4.233 -7.131 1.00 0.00 C ATOM 115 O LEU A 7 1.827 4.413 -7.919 1.00 0.00 O ATOM 116 CB LEU A 7 1.925 3.931 -4.874 1.00 0.00 C ATOM 117 CG LEU A 7 2.332 2.999 -3.732 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.442 2.061 -4.179 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.769 3.805 -2.518 1.00 0.00 C ATOM 0 H LEU A 7 2.592 1.994 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 7 0.048 3.112 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.828 4.315 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.397 4.787 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 7 1.467 2.398 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.719 1.405 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.094 1.460 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.310 2.645 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.055 3.126 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.620 4.431 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.945 4.435 -2.184 1.00 0.00 H new ATOM 131 N ASN A 8 -0.279 4.838 -7.239 1.00 0.00 N ATOM 132 CA ASN A 8 -0.562 5.777 -8.318 1.00 0.00 C ATOM 133 C ASN A 8 -1.226 7.038 -7.775 1.00 0.00 C ATOM 134 O ASN A 8 -2.391 7.015 -7.374 1.00 0.00 O ATOM 135 CB ASN A 8 -1.458 5.120 -9.374 1.00 0.00 C ATOM 136 CG ASN A 8 -0.701 4.784 -10.644 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.423 3.618 -10.925 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.363 5.808 -11.421 1.00 0.00 N ATOM 0 H ASN A 8 -1.054 4.695 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 8 0.383 6.058 -8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.894 4.210 -8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.285 5.789 -9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.147 5.643 -12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.614 6.759 -11.150 1.00 0.00 H new ATOM 145 N LEU A 9 -0.478 8.137 -7.762 1.00 0.00 N ATOM 146 CA LEU A 9 -0.995 9.408 -7.265 1.00 0.00 C ATOM 147 C LEU A 9 -1.219 10.391 -8.414 1.00 0.00 C ATOM 148 O LEU A 9 -1.143 11.606 -8.230 1.00 0.00 O ATOM 149 CB LEU A 9 -0.033 10.011 -6.220 1.00 0.00 C ATOM 150 CG LEU A 9 1.193 10.734 -6.792 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.923 11.493 -5.695 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.131 9.745 -7.466 1.00 0.00 C ATOM 0 H LEU A 9 0.487 8.173 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.956 9.220 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.591 10.713 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.311 9.211 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 9 0.851 11.449 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.790 12.000 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.252 12.230 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.251 10.794 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.995 10.277 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.465 9.006 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.607 9.242 -8.279 1.00 0.00 H new ATOM 213 N LYS A 13 4.620 6.183 -10.602 1.00 0.00 N ATOM 214 CA LYS A 13 4.206 4.857 -10.153 1.00 0.00 C ATOM 215 C LYS A 13 5.312 4.188 -9.340 1.00 0.00 C ATOM 216 O LYS A 13 6.434 4.021 -9.828 1.00 0.00 O ATOM 217 CB LYS A 13 3.831 3.976 -11.362 1.00 0.00 C ATOM 218 CG LYS A 13 4.962 3.809 -12.357 1.00 0.00 C ATOM 219 CD LYS A 13 4.450 3.812 -13.792 1.00 0.00 C ATOM 220 CE LYS A 13 5.317 4.669 -14.691 1.00 0.00 C ATOM 221 NZ LYS A 13 4.542 5.242 -15.826 1.00 0.00 N ATOM 0 HA LYS A 13 3.331 4.973 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.523 2.993 -11.005 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.972 4.415 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.685 4.614 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.487 2.874 -12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.427 2.791 -14.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.425 4.183 -13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.758 5.477 -14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.141 4.070 -15.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.171 5.822 -16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.142 4.471 -16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.771 5.834 -15.456 1.00 0.00 H new ATOM 235 N GLU A 14 4.993 3.813 -8.113 1.00 0.00 N ATOM 236 CA GLU A 14 5.958 3.163 -7.231 1.00 0.00 C ATOM 237 C GLU A 14 5.514 1.741 -6.898 1.00 0.00 C ATOM 238 O GLU A 14 4.331 1.413 -6.989 1.00 0.00 O ATOM 239 CB GLU A 14 6.137 3.974 -5.945 1.00 0.00 C ATOM 240 CG GLU A 14 7.567 4.437 -5.717 1.00 0.00 C ATOM 241 CD GLU A 14 8.560 3.292 -5.737 1.00 0.00 C ATOM 242 OE1 GLU A 14 8.353 2.314 -4.988 1.00 0.00 O ATOM 243 OE2 GLU A 14 9.540 3.370 -6.494 1.00 0.00 O ATOM 0 H GLU A 14 4.070 3.947 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 14 6.915 3.113 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.482 4.845 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.819 3.369 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.837 5.161 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.630 4.951 -4.758 1.00 0.00 H new ATOM 250 N GLU A 15 6.471 0.898 -6.521 1.00 0.00 N ATOM 251 CA GLU A 15 6.177 -0.490 -6.185 1.00 0.00 C ATOM 252 C GLU A 15 6.571 -0.809 -4.743 1.00 0.00 C ATOM 253 O GLU A 15 7.355 -0.086 -4.128 1.00 0.00 O ATOM 254 CB GLU A 15 6.906 -1.429 -7.148 1.00 0.00 C ATOM 255 CG GLU A 15 6.748 -1.043 -8.610 1.00 0.00 C ATOM 256 CD GLU A 15 8.000 -1.309 -9.419 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.954 -0.515 -9.307 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.021 -2.316 -10.155 1.00 0.00 O ATOM 0 H GLU A 15 7.456 1.152 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 15 5.101 -0.639 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.967 -1.442 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.532 -2.443 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.916 -1.599 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.494 0.015 -8.678 1.00 0.00 H new ATOM 265 N ALA A 16 6.025 -1.902 -4.215 1.00 0.00 N ATOM 266 CA ALA A 16 6.313 -2.334 -2.858 1.00 0.00 C ATOM 267 C ALA A 16 5.981 -3.811 -2.706 1.00 0.00 C ATOM 268 O ALA A 16 5.011 -4.302 -3.280 1.00 0.00 O ATOM 269 CB ALA A 16 5.511 -1.506 -1.849 1.00 0.00 C ATOM 0 H ALA A 16 5.375 -2.507 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 16 7.374 -2.184 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.739 -1.844 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.777 -0.454 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.445 -1.631 -2.041 1.00 0.00 H new ATOM 275 N ILE A 17 6.791 -4.514 -1.937 1.00 0.00 N ATOM 276 CA ILE A 17 6.579 -5.940 -1.714 1.00 0.00 C ATOM 277 C ILE A 17 6.817 -6.320 -0.261 1.00 0.00 C ATOM 278 O ILE A 17 7.803 -5.905 0.348 1.00 0.00 O ATOM 279 CB ILE A 17 7.495 -6.806 -2.596 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.839 -6.110 -2.843 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.810 -7.134 -3.915 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.687 -5.956 -1.599 1.00 0.00 C ATOM 0 H ILE A 17 7.602 -4.126 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 17 5.539 -6.131 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 17 7.692 -7.739 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.400 -6.678 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.654 -5.124 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.472 -7.747 -4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.887 -7.680 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.579 -6.210 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.621 -5.455 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.147 -5.362 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.905 -6.940 -1.183 1.00 0.00 H new ATOM 294 N LYS A 18 5.911 -7.120 0.291 1.00 0.00 N ATOM 295 CA LYS A 18 6.032 -7.555 1.677 1.00 0.00 C ATOM 296 C LYS A 18 5.610 -9.013 1.834 1.00 0.00 C ATOM 297 O LYS A 18 4.574 -9.430 1.315 1.00 0.00 O ATOM 298 CB LYS A 18 5.187 -6.667 2.602 1.00 0.00 C ATOM 299 CG LYS A 18 4.819 -5.322 1.997 1.00 0.00 C ATOM 300 CD LYS A 18 5.932 -4.286 2.138 1.00 0.00 C ATOM 301 CE LYS A 18 6.534 -4.271 3.536 1.00 0.00 C ATOM 302 NZ LYS A 18 7.787 -5.071 3.610 1.00 0.00 N ATOM 0 H LYS A 18 5.090 -7.478 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 18 7.081 -7.464 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.272 -7.199 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.735 -6.500 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.585 -5.456 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.916 -4.947 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.715 -4.496 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.537 -3.297 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.742 -3.242 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.809 -4.666 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.741 -5.713 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.895 -5.628 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.601 -4.432 3.716 1.00 0.00 H new ATOM 316 N GLU A 19 6.418 -9.780 2.558 1.00 0.00 N ATOM 317 CA GLU A 19 6.130 -11.188 2.793 1.00 0.00 C ATOM 318 C GLU A 19 5.655 -11.400 4.228 1.00 0.00 C ATOM 319 O GLU A 19 6.440 -11.301 5.171 1.00 0.00 O ATOM 320 CB GLU A 19 7.373 -12.038 2.515 1.00 0.00 C ATOM 321 CG GLU A 19 7.383 -12.655 1.130 1.00 0.00 C ATOM 322 CD GLU A 19 8.241 -13.911 1.063 1.00 0.00 C ATOM 323 OE1 GLU A 19 7.891 -14.908 1.730 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.262 -13.893 0.343 1.00 0.00 O ATOM 0 H GLU A 19 7.279 -9.448 2.993 1.00 0.00 H new ATOM 0 HA GLU A 19 5.336 -11.498 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.262 -11.419 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.435 -12.832 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.362 -12.899 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.756 -11.924 0.412 1.00 0.00 H new ATOM 331 N ALA A 20 4.369 -11.694 4.387 1.00 0.00 N ATOM 332 CA ALA A 20 3.800 -11.917 5.710 1.00 0.00 C ATOM 333 C ALA A 20 2.936 -13.170 5.742 1.00 0.00 C ATOM 334 O ALA A 20 2.769 -13.846 4.728 1.00 0.00 O ATOM 335 CB ALA A 20 2.984 -10.707 6.142 1.00 0.00 C ATOM 0 H ALA A 20 3.704 -11.783 3.619 1.00 0.00 H new ATOM 0 HA ALA A 20 4.625 -12.062 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.564 -10.886 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.627 -9.827 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.176 -10.540 5.430 1.00 0.00 H new ATOM 341 N VAL A 21 2.392 -13.477 6.916 1.00 0.00 N ATOM 342 CA VAL A 21 1.543 -14.643 7.087 1.00 0.00 C ATOM 343 C VAL A 21 0.124 -14.377 6.599 1.00 0.00 C ATOM 344 O VAL A 21 -0.536 -15.262 6.055 1.00 0.00 O ATOM 345 CB VAL A 21 1.497 -15.097 8.562 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.910 -13.990 9.436 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.699 -16.381 8.709 1.00 0.00 C ATOM 0 H VAL A 21 2.527 -12.928 7.765 1.00 0.00 H new ATOM 0 HA VAL A 21 1.981 -15.439 6.485 1.00 0.00 H new ATOM 0 HB VAL A 21 2.516 -15.298 8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.883 -14.322 10.474 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.530 -13.097 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.102 -13.760 9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.681 -16.680 9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.321 -16.217 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.163 -17.168 8.115 1.00 0.00 H new ATOM 357 N ASP A 22 -0.338 -13.151 6.796 1.00 0.00 N ATOM 358 CA ASP A 22 -1.674 -12.762 6.379 1.00 0.00 C ATOM 359 C ASP A 22 -1.604 -11.610 5.375 1.00 0.00 C ATOM 360 O ASP A 22 -0.637 -11.494 4.622 1.00 0.00 O ATOM 361 CB ASP A 22 -2.507 -12.366 7.603 1.00 0.00 C ATOM 362 CG ASP A 22 -3.949 -12.823 7.495 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.604 -12.486 6.486 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.423 -13.514 8.420 1.00 0.00 O ATOM 0 H ASP A 22 0.196 -12.407 7.244 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.155 -13.609 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.059 -12.796 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.480 -11.283 7.722 1.00 0.00 H new ATOM 369 N ALA A 23 -2.628 -10.766 5.363 1.00 0.00 N ATOM 370 CA ALA A 23 -2.674 -9.632 4.447 1.00 0.00 C ATOM 371 C ALA A 23 -2.635 -8.307 5.202 1.00 0.00 C ATOM 372 O ALA A 23 -2.157 -7.299 4.679 1.00 0.00 O ATOM 373 CB ALA A 23 -3.922 -9.709 3.579 1.00 0.00 C ATOM 0 H ALA A 23 -3.438 -10.845 5.977 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.792 -9.679 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.946 -8.857 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.907 -10.634 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.808 -9.691 4.213 1.00 0.00 H new ATOM 379 N GLY A 24 -3.145 -8.313 6.428 1.00 0.00 N ATOM 380 CA GLY A 24 -3.164 -7.104 7.230 1.00 0.00 C ATOM 381 C GLY A 24 -1.781 -6.512 7.436 1.00 0.00 C ATOM 382 O GLY A 24 -1.630 -5.297 7.588 1.00 0.00 O ATOM 0 H GLY A 24 -3.546 -9.134 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.803 -6.364 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.608 -7.324 8.201 1.00 0.00 H new ATOM 386 N ILE A 25 -0.770 -7.370 7.448 1.00 0.00 N ATOM 387 CA ILE A 25 0.605 -6.927 7.646 1.00 0.00 C ATOM 388 C ILE A 25 1.088 -6.074 6.473 1.00 0.00 C ATOM 389 O ILE A 25 1.700 -5.020 6.667 1.00 0.00 O ATOM 390 CB ILE A 25 1.560 -8.129 7.843 1.00 0.00 C ATOM 391 CG1 ILE A 25 1.327 -8.781 9.210 1.00 0.00 C ATOM 392 CG2 ILE A 25 3.015 -7.698 7.710 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.437 -7.813 10.369 1.00 0.00 C ATOM 0 H ILE A 25 -0.875 -8.377 7.323 1.00 0.00 H new ATOM 0 HA ILE A 25 0.617 -6.318 8.550 1.00 0.00 H new ATOM 0 HB ILE A 25 1.346 -8.859 7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.337 -9.238 9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.051 -9.584 9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.665 -8.561 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.181 -7.279 6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.242 -6.945 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.260 -8.344 11.304 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.435 -7.375 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.695 -7.023 10.255 1.00 0.00 H new ATOM 405 N ALA A 26 0.822 -6.533 5.256 1.00 0.00 N ATOM 406 CA ALA A 26 1.253 -5.799 4.076 1.00 0.00 C ATOM 407 C ALA A 26 0.543 -4.461 3.956 1.00 0.00 C ATOM 408 O ALA A 26 1.181 -3.446 3.695 1.00 0.00 O ATOM 409 CB ALA A 26 1.056 -6.610 2.810 1.00 0.00 C ATOM 0 H ALA A 26 0.317 -7.398 5.063 1.00 0.00 H new ATOM 0 HA ALA A 26 2.319 -5.610 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.389 -6.029 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.637 -7.530 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.000 -6.855 2.695 1.00 0.00 H new ATOM 415 N GLU A 27 -0.776 -4.447 4.146 1.00 0.00 N ATOM 416 CA GLU A 27 -1.518 -3.190 4.045 1.00 0.00 C ATOM 417 C GLU A 27 -0.901 -2.153 4.973 1.00 0.00 C ATOM 418 O GLU A 27 -0.904 -0.961 4.674 1.00 0.00 O ATOM 419 CB GLU A 27 -3.007 -3.357 4.367 1.00 0.00 C ATOM 420 CG GLU A 27 -3.266 -3.899 5.751 1.00 0.00 C ATOM 421 CD GLU A 27 -4.710 -4.312 5.956 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.196 -5.171 5.191 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.356 -3.777 6.882 1.00 0.00 O ATOM 0 H GLU A 27 -1.341 -5.268 4.365 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.449 -2.856 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.503 -2.392 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.457 -4.026 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.618 -4.758 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.000 -3.142 6.489 1.00 0.00 H new ATOM 430 N LYS A 28 -0.348 -2.619 6.094 1.00 0.00 N ATOM 431 CA LYS A 28 0.294 -1.726 7.052 1.00 0.00 C ATOM 432 C LYS A 28 1.523 -1.082 6.428 1.00 0.00 C ATOM 433 O LYS A 28 1.761 0.114 6.591 1.00 0.00 O ATOM 434 CB LYS A 28 0.699 -2.481 8.318 1.00 0.00 C ATOM 435 CG LYS A 28 -0.474 -2.833 9.209 1.00 0.00 C ATOM 436 CD LYS A 28 -0.017 -3.235 10.604 1.00 0.00 C ATOM 437 CE LYS A 28 -0.212 -4.722 10.850 1.00 0.00 C ATOM 438 NZ LYS A 28 -1.421 -4.997 11.674 1.00 0.00 N ATOM 0 H LYS A 28 -0.333 -3.604 6.357 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.424 -0.951 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.219 -3.396 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.406 -1.874 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.148 -1.979 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.040 -3.650 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.035 -2.980 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.575 -2.666 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.299 -5.239 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.668 -5.125 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.517 -6.022 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.327 -4.525 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.264 -4.636 11.184 1.00 0.00 H new ATOM 452 N TYR A 29 2.302 -1.883 5.709 1.00 0.00 N ATOM 453 CA TYR A 29 3.510 -1.381 5.052 1.00 0.00 C ATOM 454 C TYR A 29 3.183 -0.715 3.749 1.00 0.00 C ATOM 455 O TYR A 29 3.794 0.279 3.356 1.00 0.00 O ATOM 456 CB TYR A 29 4.492 -2.503 4.775 1.00 0.00 C ATOM 457 CG TYR A 29 5.456 -2.660 5.921 1.00 0.00 C ATOM 458 CD1 TYR A 29 6.079 -1.531 6.428 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.734 -3.886 6.508 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.950 -1.604 7.477 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.609 -3.974 7.570 1.00 0.00 C ATOM 462 CZ TYR A 29 7.220 -2.828 8.056 1.00 0.00 C ATOM 463 OH TYR A 29 8.096 -2.909 9.113 1.00 0.00 O ATOM 0 H TYR A 29 2.123 -2.877 5.565 1.00 0.00 H new ATOM 0 HA TYR A 29 3.958 -0.658 5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.951 -3.436 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.041 -2.294 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.871 -0.570 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.261 -4.780 6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.425 -0.709 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.818 -4.932 8.022 1.00 0.00 H new ATOM 0 HH TYR A 29 8.173 -3.842 9.403 1.00 0.00 H new ATOM 473 N PHE A 30 2.204 -1.272 3.097 1.00 0.00 N ATOM 474 CA PHE A 30 1.745 -0.767 1.843 1.00 0.00 C ATOM 475 C PHE A 30 1.140 0.596 2.094 1.00 0.00 C ATOM 476 O PHE A 30 1.276 1.516 1.289 1.00 0.00 O ATOM 477 CB PHE A 30 0.734 -1.752 1.263 1.00 0.00 C ATOM 478 CG PHE A 30 1.356 -3.016 0.711 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.704 -3.094 0.404 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.567 -4.103 0.451 1.00 0.00 C ATOM 481 CE1 PHE A 30 3.240 -4.237 -0.152 1.00 0.00 C ATOM 482 CE2 PHE A 30 1.087 -5.249 -0.116 1.00 0.00 C ATOM 483 CZ PHE A 30 2.430 -5.314 -0.421 1.00 0.00 C ATOM 0 H PHE A 30 1.700 -2.096 3.426 1.00 0.00 H new ATOM 0 HA PHE A 30 2.553 -0.660 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.017 -2.021 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.174 -1.258 0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.345 -2.248 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.484 -4.064 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.295 -4.285 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.444 -6.092 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.843 -6.206 -0.869 1.00 0.00 H new ATOM 493 N LYS A 31 0.518 0.722 3.263 1.00 0.00 N ATOM 494 CA LYS A 31 -0.060 1.975 3.691 1.00 0.00 C ATOM 495 C LYS A 31 0.993 2.766 4.459 1.00 0.00 C ATOM 496 O LYS A 31 0.901 3.988 4.573 1.00 0.00 O ATOM 497 CB LYS A 31 -1.312 1.746 4.552 1.00 0.00 C ATOM 498 CG LYS A 31 -1.016 1.388 6.004 1.00 0.00 C ATOM 499 CD LYS A 31 -2.247 0.828 6.700 1.00 0.00 C ATOM 500 CE LYS A 31 -3.259 1.921 7.006 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.659 1.443 6.844 1.00 0.00 N ATOM 0 H LYS A 31 0.405 -0.041 3.930 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.375 2.542 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.924 2.647 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.904 0.947 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.210 0.656 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.668 2.274 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.709 0.069 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.950 0.336 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.112 2.276 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.087 2.770 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.318 2.218 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.807 1.128 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.832 0.649 7.493 1.00 0.00 H new ATOM 515 N LEU A 32 2.013 2.060 4.978 1.00 0.00 N ATOM 516 CA LEU A 32 3.079 2.735 5.716 1.00 0.00 C ATOM 517 C LEU A 32 3.771 3.756 4.814 1.00 0.00 C ATOM 518 O LEU A 32 3.876 4.935 5.162 1.00 0.00 O ATOM 519 CB LEU A 32 4.098 1.744 6.305 1.00 0.00 C ATOM 520 CG LEU A 32 5.313 2.407 6.956 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.870 3.329 8.081 1.00 0.00 C ATOM 522 CD2 LEU A 32 6.275 1.357 7.469 1.00 0.00 C ATOM 0 H LEU A 32 2.116 1.048 4.900 1.00 0.00 H new ATOM 0 HA LEU A 32 2.622 3.253 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.596 1.122 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.442 1.080 5.512 1.00 0.00 H new ATOM 0 HG LEU A 32 5.830 3.005 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.745 3.794 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.214 4.102 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.333 2.752 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.134 1.845 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.772 0.733 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.612 0.736 6.639 1.00 0.00 H new ATOM 534 N ILE A 33 4.223 3.312 3.642 1.00 0.00 N ATOM 535 CA ILE A 33 4.876 4.204 2.701 1.00 0.00 C ATOM 536 C ILE A 33 3.848 4.970 1.876 1.00 0.00 C ATOM 537 O ILE A 33 4.034 6.149 1.592 1.00 0.00 O ATOM 538 CB ILE A 33 5.830 3.448 1.752 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.539 4.426 0.806 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.068 2.395 0.960 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.016 5.698 1.482 1.00 0.00 C ATOM 0 H ILE A 33 4.147 2.345 3.328 1.00 0.00 H new ATOM 0 HA ILE A 33 5.465 4.905 3.292 1.00 0.00 H new ATOM 0 HB ILE A 33 6.587 2.946 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.394 3.924 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.859 4.690 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.755 1.871 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.613 1.682 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.289 2.877 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.507 6.338 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.163 6.225 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.722 5.447 2.274 1.00 0.00 H new ATOM 553 N ALA A 34 2.751 4.308 1.503 1.00 0.00 N ATOM 554 CA ALA A 34 1.710 4.962 0.726 1.00 0.00 C ATOM 555 C ALA A 34 1.189 6.179 1.475 1.00 0.00 C ATOM 556 O ALA A 34 0.839 7.194 0.873 1.00 0.00 O ATOM 557 CB ALA A 34 0.581 3.991 0.423 1.00 0.00 C ATOM 0 H ALA A 34 2.566 3.330 1.726 1.00 0.00 H new ATOM 0 HA ALA A 34 2.134 5.293 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.189 4.498 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.970 3.147 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.151 3.630 1.357 1.00 0.00 H new ATOM 563 N ASN A 35 1.168 6.074 2.801 1.00 0.00 N ATOM 564 CA ASN A 35 0.721 7.171 3.645 1.00 0.00 C ATOM 565 C ASN A 35 1.823 8.217 3.752 1.00 0.00 C ATOM 566 O ASN A 35 1.554 9.413 3.867 1.00 0.00 O ATOM 567 CB ASN A 35 0.339 6.661 5.036 1.00 0.00 C ATOM 568 CG ASN A 35 -0.356 7.720 5.869 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.417 8.220 5.497 1.00 0.00 O ATOM 570 ND2 ASN A 35 0.240 8.069 7.003 1.00 0.00 N ATOM 0 H ASN A 35 1.456 5.239 3.311 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.162 7.624 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.315 5.795 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.236 6.325 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.182 8.777 7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.119 7.629 7.273 1.00 0.00 H new ATOM 577 N ALA A 36 3.072 7.754 3.699 1.00 0.00 N ATOM 578 CA ALA A 36 4.221 8.646 3.774 1.00 0.00 C ATOM 579 C ALA A 36 4.445 9.348 2.437 1.00 0.00 C ATOM 580 O ALA A 36 4.865 10.505 2.396 1.00 0.00 O ATOM 581 CB ALA A 36 5.466 7.874 4.186 1.00 0.00 C ATOM 0 H ALA A 36 3.310 6.767 3.604 1.00 0.00 H new ATOM 0 HA ALA A 36 4.018 9.405 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.316 8.555 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.305 7.420 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.670 7.094 3.452 1.00 0.00 H new ATOM 587 N LYS A 37 4.151 8.643 1.346 1.00 0.00 N ATOM 588 CA LYS A 37 4.312 9.205 0.008 1.00 0.00 C ATOM 589 C LYS A 37 3.252 10.271 -0.248 1.00 0.00 C ATOM 590 O LYS A 37 3.568 11.416 -0.575 1.00 0.00 O ATOM 591 CB LYS A 37 4.209 8.120 -1.072 1.00 0.00 C ATOM 592 CG LYS A 37 5.338 7.104 -1.034 1.00 0.00 C ATOM 593 CD LYS A 37 5.336 6.219 -2.270 1.00 0.00 C ATOM 594 CE LYS A 37 5.742 6.994 -3.514 1.00 0.00 C ATOM 595 NZ LYS A 37 4.566 7.361 -4.349 1.00 0.00 N ATOM 0 H LYS A 37 3.801 7.685 1.363 1.00 0.00 H new ATOM 0 HA LYS A 37 5.305 9.652 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.259 7.597 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.195 8.597 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.293 7.623 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.241 6.485 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.021 5.384 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.342 5.795 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.275 7.898 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.434 6.394 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.512 6.726 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.697 7.271 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.666 8.343 -4.676 1.00 0.00 H new ATOM 609 N THR A 38 1.990 9.878 -0.093 1.00 0.00 N ATOM 610 CA THR A 38 0.865 10.782 -0.301 1.00 0.00 C ATOM 611 C THR A 38 -0.202 10.562 0.771 1.00 0.00 C ATOM 612 O THR A 38 0.041 9.880 1.767 1.00 0.00 O ATOM 613 CB THR A 38 0.265 10.572 -1.695 1.00 0.00 C ATOM 614 OG1 THR A 38 0.761 9.382 -2.281 1.00 0.00 O ATOM 615 CG2 THR A 38 0.559 11.708 -2.649 1.00 0.00 C ATOM 0 H THR A 38 1.721 8.932 0.178 1.00 0.00 H new ATOM 0 HA THR A 38 1.227 11.807 -0.226 1.00 0.00 H new ATOM 0 HB THR A 38 -0.812 10.517 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.365 9.265 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.106 11.496 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.146 12.634 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.637 11.813 -2.768 1.00 0.00 H new ATOM 623 N VAL A 39 -1.382 11.141 0.566 1.00 0.00 N ATOM 624 CA VAL A 39 -2.474 11.000 1.524 1.00 0.00 C ATOM 625 C VAL A 39 -3.837 11.148 0.848 1.00 0.00 C ATOM 626 O VAL A 39 -4.716 11.850 1.352 1.00 0.00 O ATOM 627 CB VAL A 39 -2.360 12.036 2.659 1.00 0.00 C ATOM 628 CG1 VAL A 39 -1.201 11.695 3.581 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.204 13.438 2.090 1.00 0.00 C ATOM 0 H VAL A 39 -1.606 11.710 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.394 9.997 1.943 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.279 12.007 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.137 12.438 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.362 10.709 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.272 11.692 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.125 14.155 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.303 13.484 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.072 13.680 1.477 1.00 0.00 H new ATOM 639 N GLU A 40 -4.014 10.484 -0.293 1.00 0.00 N ATOM 640 CA GLU A 40 -5.278 10.550 -1.022 1.00 0.00 C ATOM 641 C GLU A 40 -5.276 9.601 -2.217 1.00 0.00 C ATOM 642 O GLU A 40 -4.365 9.628 -3.044 1.00 0.00 O ATOM 643 CB GLU A 40 -5.548 11.980 -1.495 1.00 0.00 C ATOM 644 CG GLU A 40 -4.309 12.700 -2.003 1.00 0.00 C ATOM 645 CD GLU A 40 -4.644 13.875 -2.901 1.00 0.00 C ATOM 646 OE1 GLU A 40 -5.231 13.648 -3.980 1.00 0.00 O ATOM 647 OE2 GLU A 40 -4.321 15.021 -2.525 1.00 0.00 O ATOM 0 H GLU A 40 -3.303 9.898 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.071 10.243 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.294 11.956 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.977 12.551 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.724 13.052 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.683 11.996 -2.551 1.00 0.00 H new ATOM 654 N GLY A 41 -6.307 8.765 -2.301 1.00 0.00 N ATOM 655 CA GLY A 41 -6.406 7.818 -3.401 1.00 0.00 C ATOM 656 C GLY A 41 -7.287 6.628 -3.069 1.00 0.00 C ATOM 657 O GLY A 41 -7.489 6.305 -1.898 1.00 0.00 O ATOM 0 H GLY A 41 -7.074 8.725 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.805 8.327 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.408 7.465 -3.663 1.00 0.00 H new ATOM 661 N VAL A 42 -7.807 5.969 -4.102 1.00 0.00 N ATOM 662 CA VAL A 42 -8.663 4.805 -3.909 1.00 0.00 C ATOM 663 C VAL A 42 -7.824 3.572 -3.596 1.00 0.00 C ATOM 664 O VAL A 42 -7.087 3.073 -4.447 1.00 0.00 O ATOM 665 CB VAL A 42 -9.537 4.526 -5.147 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.677 5.530 -5.231 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.700 4.550 -6.417 1.00 0.00 C ATOM 0 H VAL A 42 -7.650 6.222 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.320 5.026 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.965 3.529 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.284 5.318 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.295 5.454 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.269 6.538 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.339 4.350 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.236 5.530 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.924 3.787 -6.356 1.00 0.00 H new ATOM 677 N TRP A 43 -7.929 3.101 -2.361 1.00 0.00 N ATOM 678 CA TRP A 43 -7.183 1.952 -1.900 1.00 0.00 C ATOM 679 C TRP A 43 -7.890 0.646 -2.263 1.00 0.00 C ATOM 680 O TRP A 43 -9.079 0.478 -1.991 1.00 0.00 O ATOM 681 CB TRP A 43 -7.025 2.072 -0.392 1.00 0.00 C ATOM 682 CG TRP A 43 -5.698 2.630 0.038 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.365 3.957 0.133 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.525 1.897 0.431 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.069 4.090 0.557 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.533 2.846 0.749 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.207 0.536 0.551 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.261 2.478 1.172 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.940 0.189 0.973 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.989 1.152 1.278 1.00 0.00 C ATOM 0 H TRP A 43 -8.538 3.511 -1.653 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.207 1.930 -2.385 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.819 2.709 -0.003 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.157 1.088 0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.028 4.778 -0.094 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.582 4.974 0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.938 -0.224 0.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.514 3.222 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.683 -0.856 1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.009 0.840 1.608 1.00 0.00 H new ATOM 701 N THR A 44 -7.149 -0.275 -2.874 1.00 0.00 N ATOM 702 CA THR A 44 -7.707 -1.565 -3.270 1.00 0.00 C ATOM 703 C THR A 44 -6.657 -2.670 -3.177 1.00 0.00 C ATOM 704 O THR A 44 -5.459 -2.409 -3.279 1.00 0.00 O ATOM 705 CB THR A 44 -8.261 -1.487 -4.693 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.237 -1.149 -5.612 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.370 -0.468 -4.847 1.00 0.00 C ATOM 0 H THR A 44 -6.163 -0.152 -3.105 1.00 0.00 H new ATOM 0 HA THR A 44 -8.518 -1.807 -2.583 1.00 0.00 H new ATOM 0 HB THR A 44 -8.667 -2.477 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.449 -0.834 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.719 -0.463 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.197 -0.728 -4.186 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.994 0.521 -4.586 1.00 0.00 H new ATOM 715 N TYR A 45 -7.115 -3.905 -2.987 1.00 0.00 N ATOM 716 CA TYR A 45 -6.210 -5.052 -2.888 1.00 0.00 C ATOM 717 C TYR A 45 -6.767 -6.251 -3.652 1.00 0.00 C ATOM 718 O TYR A 45 -7.974 -6.493 -3.657 1.00 0.00 O ATOM 719 CB TYR A 45 -5.956 -5.422 -1.415 1.00 0.00 C ATOM 720 CG TYR A 45 -5.482 -6.846 -1.206 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.208 -7.239 -1.596 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.309 -7.795 -0.617 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.771 -8.535 -1.405 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.879 -9.094 -0.422 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.609 -9.459 -0.818 1.00 0.00 C ATOM 726 OH TYR A 45 -4.177 -10.750 -0.625 1.00 0.00 O ATOM 0 H TYR A 45 -8.104 -4.139 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.259 -4.770 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.213 -4.739 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.876 -5.270 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.548 -6.519 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.304 -7.513 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.777 -8.823 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.534 -9.819 0.038 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.387 -10.747 -0.045 1.00 0.00 H new ATOM 736 N LYS A 46 -5.874 -7.001 -4.290 1.00 0.00 N ATOM 737 CA LYS A 46 -6.268 -8.180 -5.052 1.00 0.00 C ATOM 738 C LYS A 46 -5.894 -9.456 -4.304 1.00 0.00 C ATOM 739 O LYS A 46 -4.797 -9.568 -3.758 1.00 0.00 O ATOM 740 CB LYS A 46 -5.603 -8.168 -6.430 1.00 0.00 C ATOM 741 CG LYS A 46 -5.750 -6.843 -7.163 1.00 0.00 C ATOM 742 CD LYS A 46 -6.664 -6.970 -8.373 1.00 0.00 C ATOM 743 CE LYS A 46 -7.676 -5.837 -8.430 1.00 0.00 C ATOM 744 NZ LYS A 46 -7.110 -4.618 -9.072 1.00 0.00 N ATOM 0 H LYS A 46 -4.872 -6.813 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.350 -8.157 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.543 -8.395 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.035 -8.962 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.150 -6.092 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.769 -6.493 -7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.065 -6.970 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.188 -7.925 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.556 -6.164 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.007 -5.595 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.831 -3.869 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.286 -4.291 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.817 -4.842 -10.045 1.00 0.00 H new ATOM 758 N ASP A 47 -6.814 -10.415 -4.283 1.00 0.00 N ATOM 759 CA ASP A 47 -6.581 -11.682 -3.597 1.00 0.00 C ATOM 760 C ASP A 47 -6.082 -12.746 -4.569 1.00 0.00 C ATOM 761 O ASP A 47 -5.362 -13.657 -4.182 1.00 0.00 O ATOM 762 CB ASP A 47 -7.863 -12.163 -2.916 1.00 0.00 C ATOM 763 CG ASP A 47 -7.648 -13.424 -2.103 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.752 -13.423 -1.233 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.375 -14.413 -2.337 1.00 0.00 O ATOM 0 H ASP A 47 -7.727 -10.340 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.814 -11.517 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.243 -11.375 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.626 -12.347 -3.673 1.00 0.00 H new ATOM 770 N GLU A 48 -6.476 -12.618 -5.832 1.00 0.00 N ATOM 771 CA GLU A 48 -6.075 -13.568 -6.863 1.00 0.00 C ATOM 772 C GLU A 48 -4.560 -13.758 -6.879 1.00 0.00 C ATOM 773 O GLU A 48 -4.068 -14.845 -7.186 1.00 0.00 O ATOM 774 CB GLU A 48 -6.561 -13.091 -8.236 1.00 0.00 C ATOM 775 CG GLU A 48 -7.638 -13.983 -8.837 1.00 0.00 C ATOM 776 CD GLU A 48 -7.387 -14.297 -10.297 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.972 -13.384 -11.041 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.602 -15.468 -10.698 1.00 0.00 O ATOM 0 H GLU A 48 -7.075 -11.863 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.534 -14.530 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.949 -12.077 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.713 -13.047 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.690 -14.914 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.607 -13.495 -8.736 1.00 0.00 H new ATOM 785 N ILE A 49 -3.825 -12.705 -6.550 1.00 0.00 N ATOM 786 CA ILE A 49 -2.369 -12.761 -6.530 1.00 0.00 C ATOM 787 C ILE A 49 -1.787 -11.944 -5.374 1.00 0.00 C ATOM 788 O ILE A 49 -0.596 -11.635 -5.366 1.00 0.00 O ATOM 789 CB ILE A 49 -1.766 -12.250 -7.854 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.153 -10.796 -8.099 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.214 -13.129 -9.013 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.622 -10.599 -8.410 1.00 0.00 C ATOM 0 H ILE A 49 -4.214 -11.798 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.105 -13.810 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.680 -12.302 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.896 -10.208 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.560 -10.406 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.781 -12.756 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.881 -14.153 -8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.301 -13.108 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.821 -9.540 -8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.882 -11.159 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.222 -10.957 -7.573 1.00 0.00 H new ATOM 804 N LYS A 50 -2.626 -11.611 -4.402 1.00 0.00 N ATOM 805 CA LYS A 50 -2.186 -10.836 -3.245 1.00 0.00 C ATOM 806 C LYS A 50 -1.394 -9.603 -3.676 1.00 0.00 C ATOM 807 O LYS A 50 -0.162 -9.605 -3.655 1.00 0.00 O ATOM 808 CB LYS A 50 -1.331 -11.704 -2.321 1.00 0.00 C ATOM 809 CG LYS A 50 -1.958 -13.046 -2.000 1.00 0.00 C ATOM 810 CD LYS A 50 -0.981 -14.191 -2.237 1.00 0.00 C ATOM 811 CE LYS A 50 -1.251 -14.889 -3.558 1.00 0.00 C ATOM 812 NZ LYS A 50 -0.010 -15.462 -4.148 1.00 0.00 N ATOM 0 H LYS A 50 -3.614 -11.864 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.074 -10.503 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.359 -11.868 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.152 -11.164 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.286 -13.056 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.846 -13.191 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.039 -13.808 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.058 -14.911 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.981 -15.684 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.693 -14.181 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.238 -15.930 -5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.678 -14.700 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.398 -16.157 -3.491 1.00 0.00 H new ATOM 826 N THR A 51 -2.105 -8.551 -4.071 1.00 0.00 N ATOM 827 CA THR A 51 -1.457 -7.321 -4.509 1.00 0.00 C ATOM 828 C THR A 51 -2.298 -6.097 -4.171 1.00 0.00 C ATOM 829 O THR A 51 -3.470 -6.013 -4.534 1.00 0.00 O ATOM 830 CB THR A 51 -1.193 -7.372 -6.014 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.444 -8.526 -6.355 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.438 -6.166 -6.533 1.00 0.00 C ATOM 0 H THR A 51 -3.124 -8.526 -4.097 1.00 0.00 H new ATOM 0 HA THR A 51 -0.509 -7.236 -3.978 1.00 0.00 H new ATOM 0 HB THR A 51 -2.179 -7.390 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.287 -8.540 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.285 -6.267 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.014 -5.262 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.528 -6.099 -6.033 1.00 0.00 H new ATOM 840 N PHE A 52 -1.682 -5.144 -3.479 1.00 0.00 N ATOM 841 CA PHE A 52 -2.361 -3.915 -3.093 1.00 0.00 C ATOM 842 C PHE A 52 -2.119 -2.828 -4.133 1.00 0.00 C ATOM 843 O PHE A 52 -1.032 -2.722 -4.698 1.00 0.00 O ATOM 844 CB PHE A 52 -1.879 -3.456 -1.719 1.00 0.00 C ATOM 845 CG PHE A 52 -2.833 -3.768 -0.604 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.900 -5.044 -0.072 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.661 -2.785 -0.091 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.778 -5.336 0.955 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.542 -3.070 0.937 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.600 -4.346 1.460 1.00 0.00 C ATOM 0 H PHE A 52 -0.710 -5.201 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.432 -4.109 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.920 -3.927 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.707 -2.380 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.259 -5.820 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.619 -1.785 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.822 -6.335 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.184 -2.295 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.287 -4.571 2.263 1.00 0.00 H new ATOM 860 N THR A 53 -3.142 -2.032 -4.388 1.00 0.00 N ATOM 861 CA THR A 53 -3.044 -0.957 -5.372 1.00 0.00 C ATOM 862 C THR A 53 -3.832 0.278 -4.949 1.00 0.00 C ATOM 863 O THR A 53 -4.965 0.174 -4.479 1.00 0.00 O ATOM 864 CB THR A 53 -3.534 -1.444 -6.735 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.967 -2.703 -7.053 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.203 -0.493 -7.865 1.00 0.00 C ATOM 0 H THR A 53 -4.051 -2.106 -3.931 1.00 0.00 H new ATOM 0 HA THR A 53 -1.994 -0.673 -5.441 1.00 0.00 H new ATOM 0 HB THR A 53 -4.618 -1.511 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.295 -2.998 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.579 -0.899 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.669 0.474 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.122 -0.368 -7.931 1.00 0.00 H new ATOM 874 N VAL A 54 -3.234 1.451 -5.147 1.00 0.00 N ATOM 875 CA VAL A 54 -3.893 2.711 -4.816 1.00 0.00 C ATOM 876 C VAL A 54 -3.959 3.619 -6.044 1.00 0.00 C ATOM 877 O VAL A 54 -2.936 3.935 -6.650 1.00 0.00 O ATOM 878 CB VAL A 54 -3.198 3.444 -3.631 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.463 4.707 -4.089 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.232 3.798 -2.567 1.00 0.00 C ATOM 0 H VAL A 54 -2.296 1.554 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.907 2.472 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.454 2.767 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.993 5.186 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.698 4.439 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.174 5.396 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.742 4.311 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.991 4.450 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.704 2.886 -2.200 1.00 0.00 H new ATOM 890 N THR A 55 -5.169 4.027 -6.410 1.00 0.00 N ATOM 891 CA THR A 55 -5.362 4.890 -7.569 1.00 0.00 C ATOM 892 C THR A 55 -5.657 6.324 -7.140 1.00 0.00 C ATOM 893 O THR A 55 -6.378 6.556 -6.170 1.00 0.00 O ATOM 894 CB THR A 55 -6.498 4.359 -8.449 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.955 3.103 -7.977 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.100 4.185 -9.899 1.00 0.00 C ATOM 0 H THR A 55 -6.029 3.775 -5.922 1.00 0.00 H new ATOM 0 HA THR A 55 -4.438 4.888 -8.147 1.00 0.00 H new ATOM 0 HB THR A 55 -7.283 5.113 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.681 2.782 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.950 3.806 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.789 5.146 -10.309 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.274 3.477 -9.967 1.00 0.00 H new ATOM 904 N GLU A 56 -5.092 7.283 -7.871 1.00 0.00 N ATOM 905 CA GLU A 56 -5.286 8.702 -7.576 1.00 0.00 C ATOM 906 C GLU A 56 -5.137 8.986 -6.083 1.00 0.00 C ATOM 907 O GLU A 56 -5.817 9.907 -5.583 1.00 0.00 O ATOM 908 CB GLU A 56 -6.663 9.164 -8.065 1.00 0.00 C ATOM 909 CG GLU A 56 -7.824 8.545 -7.305 1.00 0.00 C ATOM 910 CD GLU A 56 -9.121 9.305 -7.503 1.00 0.00 C ATOM 911 OE1 GLU A 56 -9.160 10.510 -7.174 1.00 0.00 O ATOM 912 OE2 GLU A 56 -10.099 8.697 -7.986 1.00 0.00 O ATOM 913 OXT GLU A 56 -4.340 8.283 -5.426 1.00 0.00 O ATOM 0 H GLU A 56 -4.493 7.102 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.513 9.260 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.723 10.249 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.763 8.921 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.958 7.513 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.583 8.515 -6.242 1.00 0.00 H new