USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 60 ASN : amide:sc= 0.514 K(o=1.1,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.59 K(o=1.1,f=-0.2) USER MOD Set 2.1: A 22 THR OG1 : rot -85:sc= 1.6 USER MOD Set 2.2: A 25 ASN : amide:sc= 2.23 K(o=3.8,f=-1.7) USER MOD Set 3.1: A 7 THR OG1 : rot -92:sc= 0.941 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 2 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000726 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.308 USER MOD Single : A 20 SER OG : rot -40:sc= 0.239 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.44 (180deg=-0.0597) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.561 K(o=0.56,f=-0.0027) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 0.74 (180deg=0.163) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.77) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -45:sc= 0.825 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.187 K(o=0.19,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.589 -11.979 4.696 1.00 0.00 N ATOM 21 CA GLN A 2 -3.154 -11.707 4.794 1.00 0.00 C ATOM 22 C GLN A 2 -2.623 -11.305 3.409 1.00 0.00 C ATOM 23 O GLN A 2 -2.919 -11.996 2.432 1.00 0.00 O ATOM 24 CB GLN A 2 -2.505 -12.974 5.373 1.00 0.00 C ATOM 25 CG GLN A 2 -1.022 -12.827 5.747 1.00 0.00 C ATOM 26 CD GLN A 2 -0.531 -13.989 6.619 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.288 -14.688 7.282 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.757 -14.239 6.658 1.00 0.00 N ATOM 0 HA GLN A 2 -2.917 -10.872 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.061 -13.276 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.603 -13.780 4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.422 -12.777 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.874 -11.887 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.404 -13.669 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.111 -15.004 7.233 1.00 0.00 H new ATOM 37 N ILE A 3 -1.892 -10.188 3.305 1.00 0.00 N ATOM 38 CA ILE A 3 -1.380 -9.634 2.031 1.00 0.00 C ATOM 39 C ILE A 3 0.061 -9.115 2.187 1.00 0.00 C ATOM 40 O ILE A 3 0.500 -8.821 3.303 1.00 0.00 O ATOM 41 CB ILE A 3 -2.319 -8.533 1.466 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.399 -7.291 2.385 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.719 -9.097 1.159 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.178 -6.110 1.791 1.00 0.00 C ATOM 0 H ILE A 3 -1.631 -9.628 4.116 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.363 -10.448 1.306 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.878 -8.196 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.865 -7.581 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.387 -6.962 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.353 -8.303 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.636 -9.895 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.160 -9.493 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.184 -5.284 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.701 -5.789 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.203 -6.418 1.584 1.00 0.00 H new ATOM 56 N PHE A 4 0.785 -8.991 1.067 1.00 0.00 N ATOM 57 CA PHE A 4 2.225 -8.704 1.040 1.00 0.00 C ATOM 58 C PHE A 4 2.622 -7.481 0.199 1.00 0.00 C ATOM 59 O PHE A 4 2.023 -7.247 -0.849 1.00 0.00 O ATOM 60 CB PHE A 4 2.977 -9.944 0.538 1.00 0.00 C ATOM 61 CG PHE A 4 2.803 -11.185 1.397 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.347 -11.243 2.694 1.00 0.00 C ATOM 63 CD2 PHE A 4 2.078 -12.284 0.897 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.177 -12.398 3.479 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.907 -13.437 1.684 1.00 0.00 C ATOM 66 CZ PHE A 4 2.455 -13.495 2.976 1.00 0.00 C ATOM 0 H PHE A 4 0.378 -9.089 0.137 1.00 0.00 H new ATOM 0 HA PHE A 4 2.503 -8.456 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.642 -10.170 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.039 -9.707 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.896 -10.400 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.652 -12.241 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.602 -12.442 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.354 -14.279 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.322 -14.379 3.581 1.00 0.00 H new ATOM 76 N VAL A 5 3.675 -6.748 0.594 1.00 0.00 N ATOM 77 CA VAL A 5 4.285 -5.654 -0.199 1.00 0.00 C ATOM 78 C VAL A 5 5.755 -5.895 -0.561 1.00 0.00 C ATOM 79 O VAL A 5 6.546 -6.291 0.296 1.00 0.00 O ATOM 80 CB VAL A 5 4.082 -4.251 0.413 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.309 -3.149 -0.631 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.694 -4.050 1.040 1.00 0.00 C ATOM 0 H VAL A 5 4.140 -6.897 1.490 1.00 0.00 H new ATOM 0 HA VAL A 5 3.725 -5.672 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 5 4.824 -4.180 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.159 -2.173 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.327 -3.216 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.603 -3.274 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.622 -3.043 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.927 -4.187 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.546 -4.778 1.838 1.00 0.00 H new ATOM 92 N LYS A 6 6.129 -5.615 -1.817 1.00 0.00 N ATOM 93 CA LYS A 6 7.463 -5.794 -2.403 1.00 0.00 C ATOM 94 C LYS A 6 8.167 -4.444 -2.420 1.00 0.00 C ATOM 95 O LYS A 6 7.855 -3.597 -3.253 1.00 0.00 O ATOM 96 CB LYS A 6 7.288 -6.411 -3.809 1.00 0.00 C ATOM 97 CG LYS A 6 8.459 -6.309 -4.800 1.00 0.00 C ATOM 98 CD LYS A 6 9.678 -7.175 -4.417 1.00 0.00 C ATOM 99 CE LYS A 6 10.478 -7.544 -5.682 1.00 0.00 C ATOM 100 NZ LYS A 6 11.572 -8.517 -5.421 1.00 0.00 N ATOM 0 H LYS A 6 5.466 -5.234 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 6 8.087 -6.473 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.051 -7.467 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.419 -5.943 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.112 -6.605 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.773 -5.268 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.315 -6.633 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.346 -8.081 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.798 -7.962 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.902 -6.637 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.072 -8.724 -6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.240 -8.112 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.170 -9.396 -5.036 1.00 0.00 H new ATOM 114 N THR A 7 9.076 -4.230 -1.479 1.00 0.00 N ATOM 115 CA THR A 7 9.924 -3.033 -1.417 1.00 0.00 C ATOM 116 C THR A 7 11.157 -3.151 -2.327 1.00 0.00 C ATOM 117 O THR A 7 11.486 -4.230 -2.821 1.00 0.00 O ATOM 118 CB THR A 7 10.371 -2.776 0.033 1.00 0.00 C ATOM 119 OG1 THR A 7 11.198 -3.828 0.457 1.00 0.00 O ATOM 120 CG2 THR A 7 9.228 -2.662 1.036 1.00 0.00 C ATOM 0 H THR A 7 9.253 -4.890 -0.722 1.00 0.00 H new ATOM 0 HA THR A 7 9.327 -2.193 -1.774 1.00 0.00 H new ATOM 0 HB THR A 7 10.886 -1.815 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.654 -4.516 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.634 -2.481 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.577 -1.834 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.654 -3.589 1.041 1.00 0.00 H new ATOM 128 N LEU A 8 11.856 -2.029 -2.534 1.00 0.00 N ATOM 129 CA LEU A 8 13.050 -1.932 -3.390 1.00 0.00 C ATOM 130 C LEU A 8 14.214 -2.808 -2.885 1.00 0.00 C ATOM 131 O LEU A 8 14.924 -3.405 -3.685 1.00 0.00 O ATOM 132 CB LEU A 8 13.509 -0.458 -3.471 1.00 0.00 C ATOM 133 CG LEU A 8 12.706 0.503 -4.374 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.714 0.068 -5.839 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.256 0.713 -3.930 1.00 0.00 C ATOM 0 H LEU A 8 11.603 -1.140 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 8 12.772 -2.300 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.502 -0.050 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.544 -0.449 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 8 13.227 1.455 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.136 0.776 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.740 0.041 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.272 -0.924 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.761 1.400 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.732 -0.243 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.241 1.131 -2.924 1.00 0.00 H new ATOM 147 N THR A 9 14.387 -2.929 -1.566 1.00 0.00 N ATOM 148 CA THR A 9 15.401 -3.787 -0.920 1.00 0.00 C ATOM 149 C THR A 9 14.928 -5.247 -0.833 1.00 0.00 C ATOM 150 O THR A 9 15.573 -6.061 -0.178 1.00 0.00 O ATOM 151 CB THR A 9 15.680 -3.272 0.504 1.00 0.00 C ATOM 152 OG1 THR A 9 14.469 -3.070 1.197 1.00 0.00 O ATOM 153 CG2 THR A 9 16.419 -1.935 0.493 1.00 0.00 C ATOM 0 H THR A 9 13.812 -2.421 -0.893 1.00 0.00 H new ATOM 0 HA THR A 9 16.306 -3.749 -1.526 1.00 0.00 H new ATOM 0 HB THR A 9 16.295 -4.028 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.660 -2.744 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.595 -1.608 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.374 -2.051 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.816 -1.190 -0.026 1.00 0.00 H new ATOM 161 N GLY A 10 13.792 -5.609 -1.446 1.00 0.00 N ATOM 162 CA GLY A 10 13.243 -6.968 -1.422 1.00 0.00 C ATOM 163 C GLY A 10 12.591 -7.382 -0.095 1.00 0.00 C ATOM 164 O GLY A 10 12.038 -8.476 -0.022 1.00 0.00 O ATOM 0 H GLY A 10 13.221 -4.954 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.503 -7.059 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.044 -7.671 -1.651 1.00 0.00 H new ATOM 168 N LYS A 11 12.603 -6.523 0.934 1.00 0.00 N ATOM 169 CA LYS A 11 11.948 -6.752 2.234 1.00 0.00 C ATOM 170 C LYS A 11 10.435 -6.910 2.025 1.00 0.00 C ATOM 171 O LYS A 11 9.754 -5.932 1.704 1.00 0.00 O ATOM 172 CB LYS A 11 12.282 -5.580 3.190 1.00 0.00 C ATOM 173 CG LYS A 11 12.967 -5.968 4.512 1.00 0.00 C ATOM 174 CD LYS A 11 12.006 -6.436 5.625 1.00 0.00 C ATOM 175 CE LYS A 11 12.799 -6.531 6.941 1.00 0.00 C ATOM 176 NZ LYS A 11 11.957 -6.811 8.131 1.00 0.00 N ATOM 0 H LYS A 11 13.082 -5.624 0.886 1.00 0.00 H new ATOM 0 HA LYS A 11 12.317 -7.671 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.926 -4.877 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.358 -5.052 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.685 -6.763 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.533 -5.111 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.178 -5.735 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.574 -7.404 5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.549 -7.316 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.335 -5.595 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.559 -6.861 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.257 -6.051 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.465 -7.718 8.002 1.00 0.00 H new ATOM 190 N THR A 12 9.927 -8.130 2.201 1.00 0.00 N ATOM 191 CA THR A 12 8.493 -8.444 2.214 1.00 0.00 C ATOM 192 C THR A 12 7.731 -7.910 3.422 1.00 0.00 C ATOM 193 O THR A 12 7.867 -8.443 4.520 1.00 0.00 O ATOM 194 CB THR A 12 8.195 -9.943 2.001 1.00 0.00 C ATOM 195 OG1 THR A 12 9.172 -10.552 1.188 1.00 0.00 O ATOM 196 CG2 THR A 12 6.831 -10.173 1.355 1.00 0.00 C ATOM 0 H THR A 12 10.515 -8.951 2.343 1.00 0.00 H new ATOM 0 HA THR A 12 8.113 -7.899 1.350 1.00 0.00 H new ATOM 0 HB THR A 12 8.203 -10.391 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.957 -11.501 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.666 -11.243 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.051 -9.760 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.801 -9.680 0.383 1.00 0.00 H new ATOM 204 N ILE A 13 6.921 -6.868 3.237 1.00 0.00 N ATOM 205 CA ILE A 13 6.029 -6.366 4.295 1.00 0.00 C ATOM 206 C ILE A 13 4.793 -7.265 4.365 1.00 0.00 C ATOM 207 O ILE A 13 4.241 -7.600 3.319 1.00 0.00 O ATOM 208 CB ILE A 13 5.618 -4.896 4.058 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.768 -3.995 3.557 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.957 -4.309 5.317 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.992 -3.925 4.485 1.00 0.00 C ATOM 0 H ILE A 13 6.860 -6.349 2.361 1.00 0.00 H new ATOM 0 HA ILE A 13 6.566 -6.392 5.243 1.00 0.00 H new ATOM 0 HB ILE A 13 4.890 -4.913 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.092 -4.355 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.382 -2.986 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.675 -3.273 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.068 -4.888 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.660 -4.349 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.744 -3.269 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.690 -3.533 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.411 -4.923 4.611 1.00 0.00 H new ATOM 223 N THR A 14 4.336 -7.613 5.569 1.00 0.00 N ATOM 224 CA THR A 14 3.111 -8.403 5.811 1.00 0.00 C ATOM 225 C THR A 14 2.032 -7.604 6.536 1.00 0.00 C ATOM 226 O THR A 14 2.332 -6.916 7.512 1.00 0.00 O ATOM 227 CB THR A 14 3.414 -9.720 6.547 1.00 0.00 C ATOM 228 OG1 THR A 14 4.483 -10.397 5.924 1.00 0.00 O ATOM 229 CG2 THR A 14 2.222 -10.679 6.575 1.00 0.00 C ATOM 0 H THR A 14 4.815 -7.350 6.430 1.00 0.00 H new ATOM 0 HA THR A 14 2.714 -8.655 4.828 1.00 0.00 H new ATOM 0 HB THR A 14 3.661 -9.435 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.199 -10.714 5.041 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.499 -11.589 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.383 -10.202 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.933 -10.930 5.554 1.00 0.00 H new ATOM 237 N LEU A 15 0.779 -7.688 6.074 1.00 0.00 N ATOM 238 CA LEU A 15 -0.357 -6.936 6.622 1.00 0.00 C ATOM 239 C LEU A 15 -1.585 -7.830 6.839 1.00 0.00 C ATOM 240 O LEU A 15 -1.955 -8.618 5.965 1.00 0.00 O ATOM 241 CB LEU A 15 -0.708 -5.773 5.673 1.00 0.00 C ATOM 242 CG LEU A 15 0.321 -4.631 5.667 1.00 0.00 C ATOM 243 CD1 LEU A 15 0.169 -3.792 4.397 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.151 -3.710 6.876 1.00 0.00 C ATOM 0 H LEU A 15 0.521 -8.292 5.294 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.064 -6.545 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.807 -6.163 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.680 -5.369 5.956 1.00 0.00 H new ATOM 0 HG LEU A 15 1.309 -5.089 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.903 -2.986 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.330 -4.423 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.835 -3.369 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.896 -2.916 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.847 -3.272 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.282 -4.285 7.793 1.00 0.00 H new ATOM 256 N GLU A 16 -2.240 -7.646 7.988 1.00 0.00 N ATOM 257 CA GLU A 16 -3.561 -8.201 8.302 1.00 0.00 C ATOM 258 C GLU A 16 -4.694 -7.188 8.025 1.00 0.00 C ATOM 259 O GLU A 16 -4.731 -6.094 8.598 1.00 0.00 O ATOM 260 CB GLU A 16 -3.615 -8.686 9.763 1.00 0.00 C ATOM 261 CG GLU A 16 -2.609 -9.804 10.119 1.00 0.00 C ATOM 262 CD GLU A 16 -1.380 -9.347 10.932 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.012 -8.150 10.896 1.00 0.00 O ATOM 264 OE2 GLU A 16 -0.780 -10.212 11.617 1.00 0.00 O ATOM 0 H GLU A 16 -1.854 -7.089 8.750 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.718 -9.055 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.436 -7.834 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.623 -9.044 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.132 -10.575 10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.262 -10.266 9.195 1.00 0.00 H new ATOM 271 N VAL A 17 -5.631 -7.561 7.148 1.00 0.00 N ATOM 272 CA VAL A 17 -6.792 -6.763 6.695 1.00 0.00 C ATOM 273 C VAL A 17 -8.041 -7.641 6.507 1.00 0.00 C ATOM 274 O VAL A 17 -7.920 -8.867 6.448 1.00 0.00 O ATOM 275 CB VAL A 17 -6.457 -5.942 5.422 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.138 -5.160 5.519 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.372 -6.809 4.160 1.00 0.00 C ATOM 0 H VAL A 17 -5.605 -8.480 6.705 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.025 -6.045 7.482 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.290 -5.243 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.972 -4.611 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.191 -4.459 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.314 -5.855 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.135 -6.180 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.592 -7.560 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.329 -7.304 3.994 1.00 0.00 H new ATOM 287 N GLU A 18 -9.241 -7.073 6.373 1.00 0.00 N ATOM 288 CA GLU A 18 -10.409 -7.812 5.848 1.00 0.00 C ATOM 289 C GLU A 18 -10.644 -7.509 4.350 1.00 0.00 C ATOM 290 O GLU A 18 -10.312 -6.421 3.892 1.00 0.00 O ATOM 291 CB GLU A 18 -11.663 -7.561 6.715 1.00 0.00 C ATOM 292 CG GLU A 18 -11.586 -8.274 8.083 1.00 0.00 C ATOM 293 CD GLU A 18 -12.939 -8.729 8.678 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.010 -8.514 8.065 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.921 -9.355 9.769 1.00 0.00 O ATOM 0 H GLU A 18 -9.438 -6.103 6.619 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.193 -8.878 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.783 -6.489 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.547 -7.905 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.942 -9.148 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.104 -7.604 8.795 1.00 0.00 H new ATOM 302 N PRO A 19 -11.226 -8.423 3.541 1.00 0.00 N ATOM 303 CA PRO A 19 -11.463 -8.162 2.110 1.00 0.00 C ATOM 304 C PRO A 19 -12.448 -7.003 1.874 1.00 0.00 C ATOM 305 O PRO A 19 -12.498 -6.442 0.779 1.00 0.00 O ATOM 306 CB PRO A 19 -12.011 -9.477 1.544 1.00 0.00 C ATOM 307 CG PRO A 19 -12.672 -10.139 2.756 1.00 0.00 C ATOM 308 CD PRO A 19 -11.758 -9.729 3.908 1.00 0.00 C ATOM 0 HA PRO A 19 -10.542 -7.852 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.728 -9.301 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.216 -10.098 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.692 -9.785 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.723 -11.222 2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.310 -9.678 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.956 -10.453 4.049 1.00 0.00 H new ATOM 316 N SER A 20 -13.225 -6.649 2.905 1.00 0.00 N ATOM 317 CA SER A 20 -14.148 -5.511 2.924 1.00 0.00 C ATOM 318 C SER A 20 -13.483 -4.180 3.335 1.00 0.00 C ATOM 319 O SER A 20 -14.174 -3.161 3.368 1.00 0.00 O ATOM 320 CB SER A 20 -15.317 -5.847 3.860 1.00 0.00 C ATOM 321 OG SER A 20 -16.419 -4.994 3.623 1.00 0.00 O ATOM 0 H SER A 20 -13.227 -7.169 3.783 1.00 0.00 H new ATOM 0 HA SER A 20 -14.501 -5.354 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.618 -6.884 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.996 -5.752 4.897 1.00 0.00 H new ATOM 0 HG SER A 20 -16.099 -4.081 3.470 1.00 0.00 H new ATOM 327 N ASP A 21 -12.179 -4.158 3.655 1.00 0.00 N ATOM 328 CA ASP A 21 -11.412 -2.915 3.800 1.00 0.00 C ATOM 329 C ASP A 21 -11.372 -2.036 2.535 1.00 0.00 C ATOM 330 O ASP A 21 -11.126 -2.511 1.419 1.00 0.00 O ATOM 331 CB ASP A 21 -10.000 -3.142 4.397 1.00 0.00 C ATOM 332 CG ASP A 21 -9.934 -3.199 5.933 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.475 -2.263 6.568 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.248 -4.094 6.486 1.00 0.00 O ATOM 0 H ASP A 21 -11.630 -5.001 3.820 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.978 -2.337 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.601 -4.075 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.345 -2.342 4.052 1.00 0.00 H new ATOM 339 N THR A 22 -11.581 -0.726 2.708 1.00 0.00 N ATOM 340 CA THR A 22 -11.260 0.261 1.666 1.00 0.00 C ATOM 341 C THR A 22 -9.778 0.293 1.294 1.00 0.00 C ATOM 342 O THR A 22 -8.928 -0.088 2.100 1.00 0.00 O ATOM 343 CB THR A 22 -11.829 1.671 1.915 1.00 0.00 C ATOM 344 OG1 THR A 22 -10.881 2.481 2.568 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.131 1.724 2.716 1.00 0.00 C ATOM 0 H THR A 22 -11.971 -0.323 3.560 1.00 0.00 H new ATOM 0 HA THR A 22 -11.794 -0.109 0.791 1.00 0.00 H new ATOM 0 HB THR A 22 -12.061 2.040 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.936 2.334 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.444 2.762 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.906 1.169 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.972 1.279 3.698 1.00 0.00 H new ATOM 353 N ILE A 23 -9.429 0.796 0.108 1.00 0.00 N ATOM 354 CA ILE A 23 -8.016 0.994 -0.240 1.00 0.00 C ATOM 355 C ILE A 23 -7.326 1.916 0.786 1.00 0.00 C ATOM 356 O ILE A 23 -6.195 1.649 1.195 1.00 0.00 O ATOM 357 CB ILE A 23 -7.904 1.510 -1.693 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.338 0.452 -2.738 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.486 2.008 -2.010 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.574 -0.882 -2.727 1.00 0.00 C ATOM 0 H ILE A 23 -10.091 1.070 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.487 0.042 -0.195 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.596 2.349 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.396 0.239 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.239 0.893 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.447 2.363 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.228 2.824 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.776 1.191 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.972 -1.535 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.516 -0.697 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.692 -1.361 -1.755 1.00 0.00 H new ATOM 372 N GLU A 24 -8.016 2.956 1.266 1.00 0.00 N ATOM 373 CA GLU A 24 -7.448 3.913 2.220 1.00 0.00 C ATOM 374 C GLU A 24 -7.375 3.366 3.659 1.00 0.00 C ATOM 375 O GLU A 24 -6.470 3.744 4.402 1.00 0.00 O ATOM 376 CB GLU A 24 -8.187 5.260 2.120 1.00 0.00 C ATOM 377 CG GLU A 24 -7.277 6.454 2.466 1.00 0.00 C ATOM 378 CD GLU A 24 -6.096 6.646 1.492 1.00 0.00 C ATOM 379 OE1 GLU A 24 -6.016 5.941 0.459 1.00 0.00 O ATOM 380 OE2 GLU A 24 -5.206 7.480 1.787 1.00 0.00 O ATOM 0 H GLU A 24 -8.981 3.157 1.005 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.407 4.082 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.576 5.384 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.044 5.252 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.877 7.364 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.885 6.319 3.474 1.00 0.00 H new ATOM 387 N ASN A 25 -8.213 2.389 4.032 1.00 0.00 N ATOM 388 CA ASN A 25 -8.062 1.628 5.276 1.00 0.00 C ATOM 389 C ASN A 25 -6.678 0.955 5.352 1.00 0.00 C ATOM 390 O ASN A 25 -6.028 0.951 6.399 1.00 0.00 O ATOM 391 CB ASN A 25 -9.173 0.576 5.388 1.00 0.00 C ATOM 392 CG ASN A 25 -10.553 1.131 5.678 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.939 2.214 5.268 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.371 0.355 6.336 1.00 0.00 N ATOM 0 H ASN A 25 -9.019 2.104 3.475 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.144 2.323 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.213 0.011 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.908 -0.128 6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.331 0.654 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.050 -0.550 6.679 1.00 0.00 H new ATOM 401 N VAL A 26 -6.194 0.426 4.224 1.00 0.00 N ATOM 402 CA VAL A 26 -4.847 -0.157 4.103 1.00 0.00 C ATOM 403 C VAL A 26 -3.733 0.892 4.104 1.00 0.00 C ATOM 404 O VAL A 26 -2.725 0.695 4.788 1.00 0.00 O ATOM 405 CB VAL A 26 -4.739 -1.075 2.877 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.458 -1.921 2.909 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.933 -2.034 2.773 1.00 0.00 C ATOM 0 H VAL A 26 -6.730 0.388 3.357 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.702 -0.762 4.998 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.723 -0.411 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.420 -2.557 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.588 -1.264 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.455 -2.544 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.817 -2.665 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.976 -2.659 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.855 -1.459 2.688 1.00 0.00 H new ATOM 417 N LYS A 27 -3.925 2.039 3.425 1.00 0.00 N ATOM 418 CA LYS A 27 -3.014 3.196 3.568 1.00 0.00 C ATOM 419 C LYS A 27 -2.897 3.669 5.017 1.00 0.00 C ATOM 420 O LYS A 27 -1.831 4.135 5.388 1.00 0.00 O ATOM 421 CB LYS A 27 -3.414 4.411 2.705 1.00 0.00 C ATOM 422 CG LYS A 27 -2.922 4.417 1.251 1.00 0.00 C ATOM 423 CD LYS A 27 -3.727 3.500 0.327 1.00 0.00 C ATOM 424 CE LYS A 27 -3.611 3.887 -1.153 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.310 5.161 -1.446 1.00 0.00 N ATOM 0 H LYS A 27 -4.697 2.191 2.776 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.054 2.817 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.502 4.478 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.043 5.312 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.966 5.436 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.876 4.113 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.385 2.473 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.776 3.526 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.559 3.979 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.030 3.092 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.551 5.200 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.180 5.218 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.689 5.960 -1.207 1.00 0.00 H new ATOM 439 N ALA A 28 -3.941 3.532 5.832 1.00 0.00 N ATOM 440 CA ALA A 28 -3.873 3.867 7.256 1.00 0.00 C ATOM 441 C ALA A 28 -3.112 2.795 8.062 1.00 0.00 C ATOM 442 O ALA A 28 -2.139 3.104 8.753 1.00 0.00 O ATOM 443 CB ALA A 28 -5.293 4.106 7.784 1.00 0.00 C ATOM 0 H ALA A 28 -4.852 3.188 5.529 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.300 4.786 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.250 4.356 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.751 4.929 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.888 3.203 7.648 1.00 0.00 H new ATOM 449 N LYS A 29 -3.504 1.519 7.931 1.00 0.00 N ATOM 450 CA LYS A 29 -2.896 0.393 8.672 1.00 0.00 C ATOM 451 C LYS A 29 -1.379 0.269 8.476 1.00 0.00 C ATOM 452 O LYS A 29 -0.674 -0.061 9.430 1.00 0.00 O ATOM 453 CB LYS A 29 -3.604 -0.928 8.298 1.00 0.00 C ATOM 454 CG LYS A 29 -5.033 -1.072 8.864 1.00 0.00 C ATOM 455 CD LYS A 29 -5.763 -2.246 8.182 1.00 0.00 C ATOM 456 CE LYS A 29 -7.218 -2.462 8.634 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.324 -3.068 9.984 1.00 0.00 N ATOM 0 H LYS A 29 -4.257 1.233 7.305 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.041 0.605 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.648 -1.007 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.000 -1.763 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.990 -1.238 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.589 -0.148 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.754 -2.082 7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.201 -3.161 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.739 -1.505 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.725 -3.104 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.327 -3.189 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.853 -3.995 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.867 -2.446 10.681 1.00 0.00 H new ATOM 471 N ILE A 30 -0.857 0.555 7.278 1.00 0.00 N ATOM 472 CA ILE A 30 0.580 0.392 6.991 1.00 0.00 C ATOM 473 C ILE A 30 1.475 1.362 7.787 1.00 0.00 C ATOM 474 O ILE A 30 2.614 1.009 8.108 1.00 0.00 O ATOM 475 CB ILE A 30 0.846 0.486 5.470 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.185 -0.215 5.156 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.842 1.928 4.945 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.471 -0.386 3.657 1.00 0.00 C ATOM 0 H ILE A 30 -1.404 0.900 6.490 1.00 0.00 H new ATOM 0 HA ILE A 30 0.857 -0.606 7.330 1.00 0.00 H new ATOM 0 HB ILE A 30 0.028 -0.016 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.996 0.358 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.188 -1.197 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.034 1.925 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.130 2.383 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.618 2.502 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.430 -0.887 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.683 -0.986 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.504 0.593 3.179 1.00 0.00 H new ATOM 490 N GLN A 31 0.995 2.562 8.139 1.00 0.00 N ATOM 491 CA GLN A 31 1.784 3.476 8.972 1.00 0.00 C ATOM 492 C GLN A 31 1.919 2.973 10.418 1.00 0.00 C ATOM 493 O GLN A 31 3.029 2.948 10.944 1.00 0.00 O ATOM 494 CB GLN A 31 1.232 4.916 8.938 1.00 0.00 C ATOM 495 CG GLN A 31 1.677 5.729 7.707 1.00 0.00 C ATOM 496 CD GLN A 31 0.563 5.960 6.694 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.405 6.672 6.937 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.654 5.370 5.524 1.00 0.00 N ATOM 0 H GLN A 31 0.079 2.918 7.865 1.00 0.00 H new ATOM 0 HA GLN A 31 2.784 3.497 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.143 4.877 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.551 5.438 9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.061 6.694 8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.500 5.209 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.456 4.776 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.077 5.506 4.826 1.00 0.00 H new ATOM 507 N ASP A 32 0.832 2.521 11.051 1.00 0.00 N ATOM 508 CA ASP A 32 0.877 2.151 12.478 1.00 0.00 C ATOM 509 C ASP A 32 1.592 0.787 12.624 1.00 0.00 C ATOM 510 O ASP A 32 2.357 0.596 13.569 1.00 0.00 O ATOM 511 CB ASP A 32 -0.570 2.101 13.021 1.00 0.00 C ATOM 512 CG ASP A 32 -0.734 2.612 14.466 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.256 3.010 15.116 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.904 2.659 14.927 1.00 0.00 O ATOM 0 H ASP A 32 -0.080 2.402 10.610 1.00 0.00 H new ATOM 0 HA ASP A 32 1.436 2.886 13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.210 2.692 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.927 1.072 12.971 1.00 0.00 H new ATOM 519 N LYS A 33 1.429 -0.156 11.674 1.00 0.00 N ATOM 520 CA LYS A 33 2.045 -1.499 11.767 1.00 0.00 C ATOM 521 C LYS A 33 3.545 -1.521 11.464 1.00 0.00 C ATOM 522 O LYS A 33 4.263 -2.309 12.073 1.00 0.00 O ATOM 523 CB LYS A 33 1.299 -2.492 10.855 1.00 0.00 C ATOM 524 CG LYS A 33 1.214 -3.927 11.427 1.00 0.00 C ATOM 525 CD LYS A 33 2.018 -4.999 10.664 1.00 0.00 C ATOM 526 CE LYS A 33 1.347 -6.382 10.731 1.00 0.00 C ATOM 527 NZ LYS A 33 1.179 -6.949 12.095 1.00 0.00 N ATOM 0 H LYS A 33 0.874 -0.013 10.830 1.00 0.00 H new ATOM 0 HA LYS A 33 1.947 -1.803 12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.289 -2.121 10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.798 -2.526 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.559 -3.907 12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.167 -4.229 11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.124 -4.698 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.023 -5.063 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.365 -6.313 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.936 -7.081 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.317 -7.530 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.003 -7.539 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.099 -6.175 12.785 1.00 0.00 H new ATOM 541 N GLU A 34 4.009 -0.701 10.514 1.00 0.00 N ATOM 542 CA GLU A 34 5.392 -0.761 9.995 1.00 0.00 C ATOM 543 C GLU A 34 6.055 0.606 9.735 1.00 0.00 C ATOM 544 O GLU A 34 7.277 0.717 9.836 1.00 0.00 O ATOM 545 CB GLU A 34 5.372 -1.622 8.716 1.00 0.00 C ATOM 546 CG GLU A 34 6.743 -2.009 8.136 1.00 0.00 C ATOM 547 CD GLU A 34 7.504 -3.065 8.962 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.100 -3.385 10.108 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.502 -3.625 8.454 1.00 0.00 O ATOM 0 H GLU A 34 3.440 0.026 10.079 1.00 0.00 H new ATOM 0 HA GLU A 34 6.015 -1.204 10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.819 -2.537 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.815 -1.083 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.603 -2.388 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.358 -1.113 8.058 1.00 0.00 H new ATOM 556 N GLY A 35 5.283 1.660 9.449 1.00 0.00 N ATOM 557 CA GLY A 35 5.808 3.022 9.271 1.00 0.00 C ATOM 558 C GLY A 35 6.110 3.414 7.822 1.00 0.00 C ATOM 559 O GLY A 35 7.151 4.009 7.556 1.00 0.00 O ATOM 0 H GLY A 35 4.272 1.594 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.087 3.730 9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.722 3.123 9.857 1.00 0.00 H new ATOM 563 N ILE A 36 5.214 3.089 6.878 1.00 0.00 N ATOM 564 CA ILE A 36 5.328 3.482 5.458 1.00 0.00 C ATOM 565 C ILE A 36 4.374 4.663 5.144 1.00 0.00 C ATOM 566 O ILE A 36 3.233 4.423 4.738 1.00 0.00 O ATOM 567 CB ILE A 36 5.078 2.252 4.543 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.845 0.969 4.960 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.371 2.579 3.069 1.00 0.00 C ATOM 570 CD1 ILE A 36 7.375 1.082 4.961 1.00 0.00 C ATOM 0 H ILE A 36 4.378 2.539 7.078 1.00 0.00 H new ATOM 0 HA ILE A 36 6.340 3.833 5.257 1.00 0.00 H new ATOM 0 HB ILE A 36 4.018 2.029 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.519 0.681 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.559 0.161 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.186 1.696 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.722 3.391 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.413 2.882 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.810 0.131 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.722 1.334 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.682 1.862 5.658 1.00 0.00 H new ATOM 582 N PRO A 37 4.765 5.938 5.359 1.00 0.00 N ATOM 583 CA PRO A 37 3.944 7.111 5.021 1.00 0.00 C ATOM 584 C PRO A 37 3.928 7.392 3.505 1.00 0.00 C ATOM 585 O PRO A 37 4.889 7.039 2.815 1.00 0.00 O ATOM 586 CB PRO A 37 4.578 8.276 5.787 1.00 0.00 C ATOM 587 CG PRO A 37 6.058 7.901 5.809 1.00 0.00 C ATOM 588 CD PRO A 37 6.011 6.382 5.972 1.00 0.00 C ATOM 0 HA PRO A 37 2.901 6.953 5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.410 9.229 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.169 8.369 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.565 8.195 4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.586 8.382 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.869 5.913 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.046 6.104 7.025 1.00 0.00 H new ATOM 596 N PRO A 38 2.902 8.082 2.968 1.00 0.00 N ATOM 597 CA PRO A 38 2.824 8.426 1.542 1.00 0.00 C ATOM 598 C PRO A 38 3.917 9.412 1.082 1.00 0.00 C ATOM 599 O PRO A 38 4.160 9.562 -0.117 1.00 0.00 O ATOM 600 CB PRO A 38 1.426 9.028 1.357 1.00 0.00 C ATOM 601 CG PRO A 38 1.118 9.639 2.725 1.00 0.00 C ATOM 602 CD PRO A 38 1.762 8.640 3.685 1.00 0.00 C ATOM 0 HA PRO A 38 2.991 7.540 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.414 9.781 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.694 8.268 1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.546 10.636 2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.046 9.733 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.080 9.130 4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.057 7.858 3.968 1.00 0.00 H new ATOM 610 N ASP A 39 4.571 10.109 2.011 1.00 0.00 N ATOM 611 CA ASP A 39 5.552 11.176 1.770 1.00 0.00 C ATOM 612 C ASP A 39 6.749 10.676 0.927 1.00 0.00 C ATOM 613 O ASP A 39 7.269 11.408 0.086 1.00 0.00 O ATOM 614 CB ASP A 39 6.054 11.696 3.142 1.00 0.00 C ATOM 615 CG ASP A 39 4.962 12.120 4.148 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.772 12.128 3.776 1.00 0.00 O ATOM 617 OD2 ASP A 39 5.304 12.382 5.327 1.00 0.00 O ATOM 0 H ASP A 39 4.426 9.938 3.006 1.00 0.00 H new ATOM 0 HA ASP A 39 5.071 11.975 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.661 10.917 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.709 12.549 2.967 1.00 0.00 H new ATOM 622 N GLN A 40 7.160 9.417 1.119 1.00 0.00 N ATOM 623 CA GLN A 40 8.396 8.832 0.566 1.00 0.00 C ATOM 624 C GLN A 40 8.191 7.969 -0.702 1.00 0.00 C ATOM 625 O GLN A 40 9.148 7.688 -1.425 1.00 0.00 O ATOM 626 CB GLN A 40 9.045 8.029 1.715 1.00 0.00 C ATOM 627 CG GLN A 40 10.325 7.264 1.339 1.00 0.00 C ATOM 628 CD GLN A 40 11.100 6.814 2.569 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.001 5.678 3.023 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.730 7.726 3.268 1.00 0.00 N ATOM 0 H GLN A 40 6.627 8.753 1.681 1.00 0.00 H new ATOM 0 HA GLN A 40 9.044 9.634 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.277 8.715 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.314 7.316 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.064 6.394 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.960 7.900 0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.821 8.675 2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.130 7.487 4.176 1.00 0.00 H new ATOM 639 N ASN A 41 6.977 7.474 -0.968 1.00 0.00 N ATOM 640 CA ASN A 41 6.778 6.261 -1.784 1.00 0.00 C ATOM 641 C ASN A 41 5.375 6.178 -2.439 1.00 0.00 C ATOM 642 O ASN A 41 4.593 7.124 -2.315 1.00 0.00 O ATOM 643 CB ASN A 41 7.078 5.061 -0.856 1.00 0.00 C ATOM 644 CG ASN A 41 6.118 5.001 0.312 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.945 4.711 0.154 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.588 5.287 1.499 1.00 0.00 N ATOM 0 H ASN A 41 6.111 7.894 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 41 7.453 6.270 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.014 4.135 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.100 5.136 -0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.970 5.269 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.573 5.528 1.613 1.00 0.00 H new ATOM 653 N ARG A 42 5.049 5.087 -3.160 1.00 0.00 N ATOM 654 CA ARG A 42 3.693 4.837 -3.694 1.00 0.00 C ATOM 655 C ARG A 42 3.445 3.349 -3.987 1.00 0.00 C ATOM 656 O ARG A 42 4.210 2.718 -4.712 1.00 0.00 O ATOM 657 CB ARG A 42 3.472 5.696 -4.961 1.00 0.00 C ATOM 658 CG ARG A 42 2.361 6.740 -4.758 1.00 0.00 C ATOM 659 CD ARG A 42 2.370 7.761 -5.900 1.00 0.00 C ATOM 660 NE ARG A 42 1.232 8.695 -5.806 1.00 0.00 N ATOM 661 CZ ARG A 42 0.746 9.425 -6.797 1.00 0.00 C ATOM 662 NH1 ARG A 42 1.333 9.498 -7.957 1.00 0.00 N ATOM 663 NH2 ARG A 42 -0.360 10.091 -6.656 1.00 0.00 N ATOM 0 H ARG A 42 5.719 4.353 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 42 2.971 5.124 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.401 6.201 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.213 5.048 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.391 6.244 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.503 7.250 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.304 8.322 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.334 7.238 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 42 0.780 8.786 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.197 8.982 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.929 10.071 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.867 10.056 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.721 10.649 -7.430 1.00 0.00 H new ATOM 677 N LEU A 43 2.359 2.795 -3.447 1.00 0.00 N ATOM 678 CA LEU A 43 1.939 1.402 -3.674 1.00 0.00 C ATOM 679 C LEU A 43 1.494 1.178 -5.131 1.00 0.00 C ATOM 680 O LEU A 43 0.615 1.891 -5.623 1.00 0.00 O ATOM 681 CB LEU A 43 0.766 1.048 -2.729 1.00 0.00 C ATOM 682 CG LEU A 43 1.125 0.451 -1.356 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.769 -0.926 -1.494 1.00 0.00 C ATOM 684 CD2 LEU A 43 2.025 1.358 -0.519 1.00 0.00 C ATOM 0 H LEU A 43 1.731 3.307 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 43 2.795 0.759 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.182 1.953 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.117 0.341 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 43 0.177 0.354 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.009 -1.316 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.076 -1.603 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.683 -0.843 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.239 0.877 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.958 1.537 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.520 2.308 -0.342 1.00 0.00 H new ATOM 696 N ILE A 44 2.046 0.146 -5.774 1.00 0.00 N ATOM 697 CA ILE A 44 1.576 -0.366 -7.084 1.00 0.00 C ATOM 698 C ILE A 44 0.966 -1.774 -6.956 1.00 0.00 C ATOM 699 O ILE A 44 1.464 -2.606 -6.205 1.00 0.00 O ATOM 700 CB ILE A 44 2.733 -0.350 -8.115 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.419 1.027 -8.227 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.299 -0.828 -9.515 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.528 2.204 -8.650 1.00 0.00 C ATOM 0 H ILE A 44 2.843 -0.371 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 44 0.786 0.295 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 44 3.459 -1.062 -7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.864 1.266 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.237 0.944 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.153 -0.794 -10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.927 -1.851 -9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.510 -0.178 -9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.125 3.115 -8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.102 2.003 -9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.724 2.330 -7.925 1.00 0.00 H new ATOM 715 N PHE A 45 -0.061 -2.100 -7.747 1.00 0.00 N ATOM 716 CA PHE A 45 -0.530 -3.481 -7.937 1.00 0.00 C ATOM 717 C PHE A 45 -0.651 -3.943 -9.397 1.00 0.00 C ATOM 718 O PHE A 45 -1.406 -3.361 -10.170 1.00 0.00 O ATOM 719 CB PHE A 45 -1.722 -3.807 -7.029 1.00 0.00 C ATOM 720 CG PHE A 45 -2.426 -5.115 -7.339 1.00 0.00 C ATOM 721 CD1 PHE A 45 -1.986 -6.305 -6.728 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.516 -5.148 -8.228 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.639 -7.521 -6.997 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.168 -6.364 -8.496 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.735 -7.550 -7.878 1.00 0.00 C ATOM 0 H PHE A 45 -0.595 -1.411 -8.277 1.00 0.00 H new ATOM 0 HA PHE A 45 0.280 -4.123 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.376 -3.834 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.447 -2.996 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.145 -6.284 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.852 -4.239 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.299 -8.432 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.004 -6.387 -9.179 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.243 -8.482 -8.079 1.00 0.00 H new ATOM 735 N ALA A 46 0.149 -4.942 -9.794 1.00 0.00 N ATOM 736 CA ALA A 46 0.209 -5.516 -11.152 1.00 0.00 C ATOM 737 C ALA A 46 0.403 -4.503 -12.317 1.00 0.00 C ATOM 738 O ALA A 46 0.150 -4.838 -13.475 1.00 0.00 O ATOM 739 CB ALA A 46 -0.989 -6.460 -11.342 1.00 0.00 C ATOM 0 H ALA A 46 0.801 -5.394 -9.153 1.00 0.00 H new ATOM 0 HA ALA A 46 1.137 -6.084 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.957 -6.892 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.944 -7.258 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.916 -5.901 -11.218 1.00 0.00 H new ATOM 745 N GLY A 47 0.859 -3.281 -12.015 1.00 0.00 N ATOM 746 CA GLY A 47 1.029 -2.154 -12.946 1.00 0.00 C ATOM 747 C GLY A 47 0.089 -0.966 -12.677 1.00 0.00 C ATOM 748 O GLY A 47 0.442 0.170 -12.986 1.00 0.00 O ATOM 0 H GLY A 47 1.135 -3.037 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.061 -1.806 -12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.865 -2.510 -13.963 1.00 0.00 H new ATOM 752 N LYS A 48 -1.073 -1.194 -12.048 1.00 0.00 N ATOM 753 CA LYS A 48 -2.051 -0.150 -11.685 1.00 0.00 C ATOM 754 C LYS A 48 -1.713 0.536 -10.347 1.00 0.00 C ATOM 755 O LYS A 48 -1.154 -0.083 -9.443 1.00 0.00 O ATOM 756 CB LYS A 48 -3.476 -0.746 -11.685 1.00 0.00 C ATOM 757 CG LYS A 48 -3.937 -1.202 -13.086 1.00 0.00 C ATOM 758 CD LYS A 48 -5.392 -1.704 -13.069 1.00 0.00 C ATOM 759 CE LYS A 48 -5.958 -2.000 -14.470 1.00 0.00 C ATOM 760 NZ LYS A 48 -5.319 -3.169 -15.116 1.00 0.00 N ATOM 0 H LYS A 48 -1.369 -2.130 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.002 0.635 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.509 -1.596 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.175 -0.003 -11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.846 -0.373 -13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.282 -1.996 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.448 -2.609 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.020 -0.957 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.031 -2.176 -14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.823 -1.123 -15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.740 -3.320 -16.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.299 -2.995 -15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.469 -4.015 -14.530 1.00 0.00 H new ATOM 774 N GLN A 49 -2.068 1.815 -10.207 1.00 0.00 N ATOM 775 CA GLN A 49 -2.048 2.539 -8.922 1.00 0.00 C ATOM 776 C GLN A 49 -3.335 2.254 -8.110 1.00 0.00 C ATOM 777 O GLN A 49 -4.345 1.829 -8.677 1.00 0.00 O ATOM 778 CB GLN A 49 -1.970 4.059 -9.167 1.00 0.00 C ATOM 779 CG GLN A 49 -0.764 4.555 -9.980 1.00 0.00 C ATOM 780 CD GLN A 49 -0.824 6.074 -10.163 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.319 6.594 -11.151 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.530 6.848 -9.140 1.00 0.00 N ATOM 0 H GLN A 49 -2.382 2.389 -10.989 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.175 2.197 -8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.880 4.370 -9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.961 4.562 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.161 4.281 -9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.750 4.066 -10.954 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.116 6.446 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.717 7.850 -9.188 1.00 0.00 H new ATOM 791 N LEU A 50 -3.328 2.564 -6.806 1.00 0.00 N ATOM 792 CA LEU A 50 -4.437 2.328 -5.867 1.00 0.00 C ATOM 793 C LEU A 50 -4.889 3.634 -5.170 1.00 0.00 C ATOM 794 O LEU A 50 -4.213 4.129 -4.262 1.00 0.00 O ATOM 795 CB LEU A 50 -4.012 1.242 -4.851 1.00 0.00 C ATOM 796 CG LEU A 50 -3.555 -0.108 -5.442 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.133 -1.047 -4.313 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.666 -0.799 -6.228 1.00 0.00 C ATOM 0 H LEU A 50 -2.522 3.001 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.306 1.972 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.200 1.641 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.850 1.055 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.725 0.105 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.811 -2.000 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.310 -0.599 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.977 -1.213 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.297 -1.745 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.514 -0.988 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.981 -0.159 -7.052 1.00 0.00 H new ATOM 810 N GLU A 51 -6.026 4.204 -5.589 1.00 0.00 N ATOM 811 CA GLU A 51 -6.622 5.425 -5.010 1.00 0.00 C ATOM 812 C GLU A 51 -7.793 5.103 -4.048 1.00 0.00 C ATOM 813 O GLU A 51 -8.258 3.968 -3.957 1.00 0.00 O ATOM 814 CB GLU A 51 -7.064 6.380 -6.145 1.00 0.00 C ATOM 815 CG GLU A 51 -6.934 7.874 -5.745 1.00 0.00 C ATOM 816 CD GLU A 51 -7.896 8.862 -6.445 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.526 8.500 -7.462 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.998 10.026 -5.976 1.00 0.00 O ATOM 0 H GLU A 51 -6.575 3.822 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.861 5.923 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.460 6.190 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.099 6.167 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.087 7.954 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.911 8.193 -5.946 1.00 0.00 H new ATOM 825 N ASP A 52 -8.257 6.124 -3.322 1.00 0.00 N ATOM 826 CA ASP A 52 -9.490 6.136 -2.523 1.00 0.00 C ATOM 827 C ASP A 52 -10.772 5.890 -3.360 1.00 0.00 C ATOM 828 O ASP A 52 -10.757 5.932 -4.591 1.00 0.00 O ATOM 829 CB ASP A 52 -9.489 7.463 -1.730 1.00 0.00 C ATOM 830 CG ASP A 52 -10.736 7.802 -0.897 1.00 0.00 C ATOM 831 OD1 ASP A 52 -11.380 6.884 -0.344 1.00 0.00 O ATOM 832 OD2 ASP A 52 -11.025 9.014 -0.755 1.00 0.00 O ATOM 0 H ASP A 52 -7.758 7.012 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.506 5.295 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.631 7.451 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.328 8.276 -2.438 1.00 0.00 H new ATOM 837 N GLY A 53 -11.898 5.608 -2.703 1.00 0.00 N ATOM 838 CA GLY A 53 -13.189 5.341 -3.348 1.00 0.00 C ATOM 839 C GLY A 53 -13.383 3.899 -3.838 1.00 0.00 C ATOM 840 O GLY A 53 -14.411 3.608 -4.451 1.00 0.00 O ATOM 0 H GLY A 53 -11.941 5.557 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.986 5.580 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.300 6.015 -4.197 1.00 0.00 H new ATOM 844 N ARG A 54 -12.425 2.996 -3.576 1.00 0.00 N ATOM 845 CA ARG A 54 -12.475 1.560 -3.922 1.00 0.00 C ATOM 846 C ARG A 54 -12.208 0.641 -2.718 1.00 0.00 C ATOM 847 O ARG A 54 -11.718 1.087 -1.680 1.00 0.00 O ATOM 848 CB ARG A 54 -11.460 1.272 -5.046 1.00 0.00 C ATOM 849 CG ARG A 54 -11.615 2.147 -6.309 1.00 0.00 C ATOM 850 CD ARG A 54 -11.727 1.260 -7.550 1.00 0.00 C ATOM 851 NE ARG A 54 -11.590 2.012 -8.808 1.00 0.00 N ATOM 852 CZ ARG A 54 -11.742 1.492 -10.015 1.00 0.00 C ATOM 853 NH1 ARG A 54 -12.073 0.247 -10.215 1.00 0.00 N ATOM 854 NH2 ARG A 54 -11.562 2.239 -11.068 1.00 0.00 N ATOM 0 H ARG A 54 -11.560 3.252 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.488 1.341 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.454 1.409 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.549 0.225 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.501 2.775 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.759 2.815 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.958 0.488 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.691 0.751 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.362 3.004 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.227 -0.374 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.178 -0.106 -11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.305 3.220 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.678 1.842 -12.001 1.00 0.00 H new ATOM 868 N THR A 55 -12.472 -0.655 -2.891 1.00 0.00 N ATOM 869 CA THR A 55 -12.022 -1.758 -2.010 1.00 0.00 C ATOM 870 C THR A 55 -10.985 -2.691 -2.644 1.00 0.00 C ATOM 871 O THR A 55 -10.801 -2.686 -3.864 1.00 0.00 O ATOM 872 CB THR A 55 -13.164 -2.545 -1.338 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.586 -3.611 -2.158 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.401 -1.721 -0.991 1.00 0.00 C ATOM 0 H THR A 55 -13.028 -0.989 -3.679 1.00 0.00 H new ATOM 0 HA THR A 55 -11.506 -1.232 -1.207 1.00 0.00 H new ATOM 0 HB THR A 55 -12.727 -2.893 -0.402 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.310 -4.099 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.147 -2.364 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.125 -0.923 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.816 -1.287 -1.901 1.00 0.00 H new ATOM 882 N LEU A 56 -10.323 -3.507 -1.819 1.00 0.00 N ATOM 883 CA LEU A 56 -9.349 -4.518 -2.257 1.00 0.00 C ATOM 884 C LEU A 56 -9.910 -5.472 -3.326 1.00 0.00 C ATOM 885 O LEU A 56 -9.286 -5.675 -4.368 1.00 0.00 O ATOM 886 CB LEU A 56 -8.952 -5.348 -1.030 1.00 0.00 C ATOM 887 CG LEU A 56 -8.067 -4.600 -0.019 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.018 -5.370 1.298 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.636 -4.457 -0.551 1.00 0.00 C ATOM 0 H LEU A 56 -10.450 -3.485 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.502 -3.996 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.858 -5.683 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.425 -6.241 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.497 -3.611 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.389 -4.834 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.026 -5.463 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.604 -6.363 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.027 -3.925 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.212 -5.446 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.650 -3.898 -1.487 1.00 0.00 H new ATOM 901 N SER A 57 -11.098 -6.038 -3.079 1.00 0.00 N ATOM 902 CA SER A 57 -11.693 -7.026 -3.989 1.00 0.00 C ATOM 903 C SER A 57 -12.147 -6.440 -5.333 1.00 0.00 C ATOM 904 O SER A 57 -12.251 -7.205 -6.291 1.00 0.00 O ATOM 905 CB SER A 57 -12.847 -7.777 -3.310 1.00 0.00 C ATOM 906 OG SER A 57 -13.228 -8.877 -4.127 1.00 0.00 O ATOM 0 H SER A 57 -11.666 -5.829 -2.258 1.00 0.00 H new ATOM 0 HA SER A 57 -10.893 -7.729 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.540 -8.128 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.695 -7.108 -3.160 1.00 0.00 H new ATOM 0 HG SER A 57 -13.964 -9.363 -3.699 1.00 0.00 H new ATOM 912 N ASP A 58 -12.396 -5.128 -5.433 1.00 0.00 N ATOM 913 CA ASP A 58 -12.699 -4.502 -6.732 1.00 0.00 C ATOM 914 C ASP A 58 -11.487 -4.431 -7.685 1.00 0.00 C ATOM 915 O ASP A 58 -11.600 -4.759 -8.866 1.00 0.00 O ATOM 916 CB ASP A 58 -13.370 -3.136 -6.565 1.00 0.00 C ATOM 917 CG ASP A 58 -13.549 -2.475 -7.937 1.00 0.00 C ATOM 918 OD1 ASP A 58 -14.398 -2.929 -8.734 1.00 0.00 O ATOM 919 OD2 ASP A 58 -12.797 -1.530 -8.228 1.00 0.00 O ATOM 0 H ASP A 58 -12.395 -4.484 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.415 -5.167 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.338 -3.253 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.764 -2.499 -5.920 1.00 0.00 H new ATOM 924 N TYR A 59 -10.305 -4.142 -7.125 1.00 0.00 N ATOM 925 CA TYR A 59 -9.009 -4.358 -7.766 1.00 0.00 C ATOM 926 C TYR A 59 -8.591 -5.827 -8.010 1.00 0.00 C ATOM 927 O TYR A 59 -7.529 -6.076 -8.573 1.00 0.00 O ATOM 928 CB TYR A 59 -7.924 -3.498 -7.094 1.00 0.00 C ATOM 929 CG TYR A 59 -7.881 -2.028 -7.474 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.179 -1.627 -8.629 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.423 -1.054 -6.612 1.00 0.00 C ATOM 932 CE1 TYR A 59 -6.973 -0.257 -8.894 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.213 0.317 -6.869 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.466 0.713 -7.996 1.00 0.00 C ATOM 935 OH TYR A 59 -7.157 2.024 -8.186 1.00 0.00 O ATOM 0 H TYR A 59 -10.226 -3.742 -6.190 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.136 -4.010 -8.791 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.057 -3.566 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.953 -3.937 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.798 -2.371 -9.313 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.001 -1.358 -5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.439 0.049 -9.782 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.624 1.062 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.201 2.109 -8.384 1.00 0.00 H new ATOM 945 N ASN A 60 -9.414 -6.795 -7.587 1.00 0.00 N ATOM 946 CA ASN A 60 -9.141 -8.243 -7.559 1.00 0.00 C ATOM 947 C ASN A 60 -7.890 -8.603 -6.714 1.00 0.00 C ATOM 948 O ASN A 60 -7.167 -9.552 -7.021 1.00 0.00 O ATOM 949 CB ASN A 60 -9.141 -8.798 -9.001 1.00 0.00 C ATOM 950 CG ASN A 60 -9.452 -10.287 -9.124 1.00 0.00 C ATOM 951 OD1 ASN A 60 -9.887 -10.979 -8.209 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.310 -10.829 -10.312 1.00 0.00 N ATOM 0 H ASN A 60 -10.346 -6.578 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.947 -8.751 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.871 -8.241 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.164 -8.609 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.560 -11.807 -10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.950 -10.272 -11.087 1.00 0.00 H new ATOM 959 N ILE A 61 -7.626 -7.844 -5.642 1.00 0.00 N ATOM 960 CA ILE A 61 -6.503 -8.070 -4.715 1.00 0.00 C ATOM 961 C ILE A 61 -6.855 -9.220 -3.754 1.00 0.00 C ATOM 962 O ILE A 61 -7.469 -9.020 -2.706 1.00 0.00 O ATOM 963 CB ILE A 61 -6.092 -6.764 -3.985 1.00 0.00 C ATOM 964 CG1 ILE A 61 -5.869 -5.618 -5.001 1.00 0.00 C ATOM 965 CG2 ILE A 61 -4.819 -7.005 -3.151 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.457 -4.266 -4.404 1.00 0.00 C ATOM 0 H ILE A 61 -8.198 -7.038 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.621 -8.371 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.899 -6.469 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.101 -5.930 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.789 -5.478 -5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.538 -6.083 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.010 -7.784 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.008 -7.319 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.328 -3.538 -5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.231 -3.919 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.518 -4.379 -3.862 1.00 0.00 H new ATOM 978 N GLN A 62 -6.520 -10.443 -4.165 1.00 0.00 N ATOM 979 CA GLN A 62 -6.808 -11.693 -3.446 1.00 0.00 C ATOM 980 C GLN A 62 -5.890 -11.927 -2.224 1.00 0.00 C ATOM 981 O GLN A 62 -4.866 -11.269 -2.049 1.00 0.00 O ATOM 982 CB GLN A 62 -6.744 -12.866 -4.444 1.00 0.00 C ATOM 983 CG GLN A 62 -7.860 -12.786 -5.506 1.00 0.00 C ATOM 984 CD GLN A 62 -7.713 -13.780 -6.657 1.00 0.00 C ATOM 985 OE1 GLN A 62 -7.058 -14.812 -6.573 1.00 0.00 O ATOM 986 NE2 GLN A 62 -8.342 -13.510 -7.779 1.00 0.00 N ATOM 0 H GLN A 62 -6.021 -10.601 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.812 -11.618 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.773 -12.868 -4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.827 -13.808 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.820 -12.954 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.882 -11.776 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.891 -12.654 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.281 -14.156 -8.566 1.00 0.00 H new ATOM 995 N LYS A 63 -6.230 -12.901 -1.367 1.00 0.00 N ATOM 996 CA LYS A 63 -5.381 -13.305 -0.225 1.00 0.00 C ATOM 997 C LYS A 63 -4.008 -13.807 -0.713 1.00 0.00 C ATOM 998 O LYS A 63 -3.916 -14.433 -1.766 1.00 0.00 O ATOM 999 CB LYS A 63 -6.130 -14.334 0.644 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.164 -15.750 0.035 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.127 -16.670 0.797 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.289 -18.046 0.135 1.00 0.00 C ATOM 1003 NZ LYS A 63 -6.043 -18.854 0.156 1.00 0.00 N ATOM 0 H LYS A 63 -7.097 -13.432 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.178 -12.439 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.657 -14.381 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.153 -13.990 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.468 -15.690 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.162 -16.178 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.764 -16.803 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.103 -16.189 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.080 -18.596 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.609 -17.910 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.216 -19.770 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.292 -18.347 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.748 -19.012 1.141 1.00 0.00 H new ATOM 1017 N GLU A 64 -2.958 -13.536 0.061 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.543 -13.788 -0.276 1.00 0.00 C ATOM 1019 C GLU A 64 -1.023 -13.029 -1.527 1.00 0.00 C ATOM 1020 O GLU A 64 0.045 -13.350 -2.053 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.199 -15.301 -0.231 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.410 -15.904 1.174 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.943 -17.366 1.342 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.671 -18.084 0.353 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.901 -17.842 2.502 1.00 0.00 O ATOM 0 H GLU A 64 -3.067 -13.115 0.984 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.958 -13.330 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.820 -15.835 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.162 -15.446 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.882 -15.286 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.470 -15.848 1.420 1.00 0.00 H new ATOM 1032 N SER A 65 -1.725 -11.978 -1.986 1.00 0.00 N ATOM 1033 CA SER A 65 -1.302 -11.129 -3.113 1.00 0.00 C ATOM 1034 C SER A 65 0.034 -10.419 -2.883 1.00 0.00 C ATOM 1035 O SER A 65 0.271 -9.868 -1.802 1.00 0.00 O ATOM 1036 CB SER A 65 -2.332 -10.032 -3.405 1.00 0.00 C ATOM 1037 OG SER A 65 -2.464 -9.178 -2.281 1.00 0.00 O ATOM 0 H SER A 65 -2.615 -11.691 -1.578 1.00 0.00 H new ATOM 0 HA SER A 65 -1.203 -11.823 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.023 -9.455 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.295 -10.481 -3.646 1.00 0.00 H new ATOM 0 HG SER A 65 -2.384 -8.244 -2.568 1.00 0.00 H new ATOM 1043 N THR A 66 0.839 -10.312 -3.941 1.00 0.00 N ATOM 1044 CA THR A 66 2.088 -9.534 -3.992 1.00 0.00 C ATOM 1045 C THR A 66 1.974 -8.112 -4.543 1.00 0.00 C ATOM 1046 O THR A 66 2.275 -7.847 -5.711 1.00 0.00 O ATOM 1047 CB THR A 66 3.273 -10.315 -4.596 1.00 0.00 C ATOM 1048 OG1 THR A 66 3.127 -11.713 -4.468 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.606 -9.920 -3.961 1.00 0.00 C ATOM 0 H THR A 66 0.635 -10.782 -4.823 1.00 0.00 H new ATOM 0 HA THR A 66 2.315 -9.380 -2.937 1.00 0.00 H new ATOM 0 HB THR A 66 3.273 -10.049 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.902 -12.161 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.411 -10.495 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.784 -8.857 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.575 -10.126 -2.891 1.00 0.00 H new ATOM 1057 N LEU A 67 1.549 -7.167 -3.699 1.00 0.00 N ATOM 1058 CA LEU A 67 1.618 -5.743 -4.036 1.00 0.00 C ATOM 1059 C LEU A 67 3.080 -5.324 -4.223 1.00 0.00 C ATOM 1060 O LEU A 67 3.982 -5.842 -3.572 1.00 0.00 O ATOM 1061 CB LEU A 67 0.918 -4.879 -2.974 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.591 -5.172 -2.839 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -0.912 -6.115 -1.678 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.355 -3.868 -2.597 1.00 0.00 C ATOM 0 H LEU A 67 1.154 -7.362 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 67 1.087 -5.582 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.399 -5.042 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.055 -3.827 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.893 -5.650 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.988 -6.284 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.401 -7.066 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.576 -5.668 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.420 -4.082 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.996 -3.401 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.194 -3.191 -3.436 1.00 0.00 H new ATOM 1076 N HIS A 68 3.324 -4.392 -5.130 1.00 0.00 N ATOM 1077 CA HIS A 68 4.625 -3.801 -5.395 1.00 0.00 C ATOM 1078 C HIS A 68 4.669 -2.414 -4.843 1.00 0.00 C ATOM 1079 O HIS A 68 3.671 -1.795 -4.468 1.00 0.00 O ATOM 1080 CB HIS A 68 4.951 -3.814 -6.894 1.00 0.00 C ATOM 1081 CG HIS A 68 5.113 -5.192 -7.515 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.339 -6.318 -7.309 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.034 -5.528 -8.469 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.819 -7.303 -8.089 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.850 -6.870 -8.826 1.00 0.00 N ATOM 0 H HIS A 68 2.590 -4.011 -5.727 1.00 0.00 H new ATOM 0 HA HIS A 68 5.388 -4.401 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.159 -3.286 -7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.871 -3.252 -7.053 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.543 -6.390 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.782 -4.866 -8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.426 -8.308 -8.117 1.00 0.00 H new ATOM 1093 N LEU A 69 5.893 -1.941 -4.799 1.00 0.00 N ATOM 1094 CA LEU A 69 6.144 -0.618 -4.380 1.00 0.00 C ATOM 1095 C LEU A 69 6.978 0.193 -5.364 1.00 0.00 C ATOM 1096 O LEU A 69 7.833 -0.350 -6.060 1.00 0.00 O ATOM 1097 CB LEU A 69 6.825 -0.608 -3.026 1.00 0.00 C ATOM 1098 CG LEU A 69 7.088 0.699 -2.267 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.771 1.371 -1.916 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.842 0.430 -0.965 1.00 0.00 C ATOM 0 H LEU A 69 6.725 -2.473 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 69 5.166 -0.141 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.230 -1.241 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.790 -1.099 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 69 7.686 1.342 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.968 2.298 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.220 1.592 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.179 0.705 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.017 1.372 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.250 -0.230 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.798 -0.044 -1.189 1.00 0.00 H new ATOM 1112 N VAL A 70 6.824 1.514 -5.287 1.00 0.00 N ATOM 1113 CA VAL A 70 7.917 2.425 -5.610 1.00 0.00 C ATOM 1114 C VAL A 70 8.190 3.454 -4.555 1.00 0.00 C ATOM 1115 O VAL A 70 7.384 3.718 -3.675 1.00 0.00 O ATOM 1116 CB VAL A 70 7.658 3.302 -6.865 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.343 2.638 -8.033 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.191 3.612 -7.172 1.00 0.00 C ATOM 0 H VAL A 70 5.958 1.974 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 70 8.740 1.722 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 70 8.073 4.289 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.181 3.229 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.412 2.565 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.932 1.639 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.129 4.230 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.649 2.681 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.749 4.147 -6.332 1.00 0.00 H new ATOM 1128 N LEU A 71 9.306 4.138 -4.773 1.00 0.00 N ATOM 1129 CA LEU A 71 9.436 5.506 -4.357 1.00 0.00 C ATOM 1130 C LEU A 71 8.510 6.579 -4.950 1.00 0.00 C ATOM 1131 O LEU A 71 7.822 6.419 -5.953 1.00 0.00 O ATOM 1132 CB LEU A 71 10.873 6.009 -4.547 1.00 0.00 C ATOM 1133 CG LEU A 71 11.936 5.186 -3.787 1.00 0.00 C ATOM 1134 CD1 LEU A 71 13.338 5.599 -4.233 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.836 5.390 -2.272 1.00 0.00 C ATOM 0 H LEU A 71 10.130 3.756 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 71 9.120 5.411 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.113 5.998 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.929 7.047 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 71 11.752 4.136 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.080 5.013 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.446 5.422 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.489 6.658 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.601 4.794 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.986 6.444 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.850 5.078 -1.927 1.00 0.00 H new