USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 50 THR OG1 : rot 180:sc=0.000342 USER MOD Set 1.2: A 52 THR OG1 : rot 121:sc= -0.362 USER MOD Set 2.1: A 17 THR OG1 : rot -165:sc= -0.632 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 126:sc= 1.24 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 110:sc= -0.296 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.844 X(o=-0.84,f=-1.2) USER MOD Single : A 36 ASN : amide:sc= -0.789 K(o=-0.79,f=-2.9!) USER MOD Single : A 38 ASN : amide:sc= -0.0176 K(o=-0.018,f=-0.58) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.67 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -17:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.693 -1.502 1.710 1.00 0.00 N ATOM 21 CA THR A 2 12.879 -0.294 1.381 1.00 0.00 C ATOM 22 C THR A 2 11.545 -0.334 2.132 1.00 0.00 C ATOM 23 O THR A 2 10.705 -1.175 1.875 1.00 0.00 O ATOM 24 CB THR A 2 12.649 -0.375 -0.127 1.00 0.00 C ATOM 25 OG1 THR A 2 13.903 -0.451 -0.792 1.00 0.00 O ATOM 26 CG2 THR A 2 11.894 0.868 -0.598 1.00 0.00 C ATOM 0 HA THR A 2 13.376 0.632 1.669 1.00 0.00 H new ATOM 0 HB THR A 2 12.060 -1.263 -0.358 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.917 -1.239 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.731 0.809 -1.674 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.932 0.925 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.480 1.758 -0.368 1.00 0.00 H new ATOM 34 N THR A 3 11.352 0.567 3.060 1.00 0.00 N ATOM 35 CA THR A 3 10.086 0.591 3.839 1.00 0.00 C ATOM 36 C THR A 3 9.002 1.371 3.087 1.00 0.00 C ATOM 37 O THR A 3 8.923 2.581 3.180 1.00 0.00 O ATOM 38 CB THR A 3 10.439 1.294 5.152 1.00 0.00 C ATOM 39 OG1 THR A 3 11.691 0.816 5.622 1.00 0.00 O ATOM 40 CG2 THR A 3 9.357 1.007 6.194 1.00 0.00 C ATOM 0 H THR A 3 12.025 1.291 3.311 1.00 0.00 H new ATOM 0 HA THR A 3 9.691 -0.411 4.004 1.00 0.00 H new ATOM 0 HB THR A 3 10.501 2.369 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.919 1.267 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.610 1.508 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.397 1.376 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.292 -0.068 6.365 1.00 0.00 H new ATOM 48 N PHE A 4 8.163 0.685 2.350 1.00 0.00 N ATOM 49 CA PHE A 4 7.076 1.382 1.597 1.00 0.00 C ATOM 50 C PHE A 4 5.915 1.707 2.544 1.00 0.00 C ATOM 51 O PHE A 4 5.916 1.307 3.693 1.00 0.00 O ATOM 52 CB PHE A 4 6.623 0.388 0.527 1.00 0.00 C ATOM 53 CG PHE A 4 7.721 0.184 -0.488 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.821 1.034 -1.595 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.633 -0.865 -0.326 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.833 0.834 -2.541 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.646 -1.064 -1.270 1.00 0.00 C ATOM 58 CZ PHE A 4 9.746 -0.215 -2.379 1.00 0.00 C ATOM 0 H PHE A 4 8.185 -0.329 2.238 1.00 0.00 H new ATOM 0 HA PHE A 4 7.415 2.321 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.364 -0.564 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.724 0.758 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.118 1.844 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.555 -1.521 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.910 1.489 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.351 -1.872 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.527 -0.369 -3.109 1.00 0.00 H new ATOM 68 N LYS A 5 4.928 2.427 2.071 1.00 0.00 N ATOM 69 CA LYS A 5 3.767 2.776 2.945 1.00 0.00 C ATOM 70 C LYS A 5 2.460 2.747 2.145 1.00 0.00 C ATOM 71 O LYS A 5 2.315 3.434 1.153 1.00 0.00 O ATOM 72 CB LYS A 5 4.058 4.194 3.438 1.00 0.00 C ATOM 73 CG LYS A 5 4.755 4.131 4.798 1.00 0.00 C ATOM 74 CD LYS A 5 5.627 5.374 4.983 1.00 0.00 C ATOM 75 CE LYS A 5 6.789 5.337 3.989 1.00 0.00 C ATOM 76 NZ LYS A 5 7.846 6.188 4.602 1.00 0.00 N ATOM 0 H LYS A 5 4.877 2.788 1.118 1.00 0.00 H new ATOM 0 HA LYS A 5 3.647 2.069 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.688 4.718 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.130 4.759 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.014 4.071 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.367 3.231 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.032 6.274 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.009 5.414 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.143 4.318 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.488 5.722 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.677 6.212 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.482 7.154 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.118 5.793 5.525 1.00 0.00 H new ATOM 90 N LEU A 6 1.506 1.960 2.576 1.00 0.00 N ATOM 91 CA LEU A 6 0.202 1.888 1.849 1.00 0.00 C ATOM 92 C LEU A 6 -0.851 2.727 2.582 1.00 0.00 C ATOM 93 O LEU A 6 -1.077 2.555 3.765 1.00 0.00 O ATOM 94 CB LEU A 6 -0.187 0.401 1.860 1.00 0.00 C ATOM 95 CG LEU A 6 -1.585 0.212 1.249 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.541 0.520 -0.249 1.00 0.00 C ATOM 97 CD2 LEU A 6 -2.047 -1.232 1.463 1.00 0.00 C ATOM 0 H LEU A 6 1.574 1.364 3.401 1.00 0.00 H new ATOM 0 HA LEU A 6 0.273 2.277 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.545 -0.178 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.175 0.022 2.882 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.285 0.892 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.534 0.385 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.218 1.550 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.839 -0.155 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.038 -1.365 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.346 -1.914 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.086 -1.447 2.531 1.00 0.00 H new ATOM 109 N ILE A 7 -1.509 3.616 1.881 1.00 0.00 N ATOM 110 CA ILE A 7 -2.563 4.445 2.530 1.00 0.00 C ATOM 111 C ILE A 7 -3.830 3.590 2.691 1.00 0.00 C ATOM 112 O ILE A 7 -3.884 2.470 2.216 1.00 0.00 O ATOM 113 CB ILE A 7 -2.758 5.658 1.586 1.00 0.00 C ATOM 114 CG1 ILE A 7 -3.186 6.869 2.410 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.813 5.386 0.501 1.00 0.00 C ATOM 116 CD1 ILE A 7 -2.699 8.147 1.724 1.00 0.00 C ATOM 0 H ILE A 7 -1.360 3.801 0.889 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.305 4.796 3.529 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.808 5.846 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.271 6.888 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.772 6.803 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.915 6.265 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.502 4.534 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.771 5.167 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.004 9.014 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.612 8.126 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.134 8.213 0.727 1.00 0.00 H new ATOM 128 N ILE A 8 -4.838 4.098 3.349 1.00 0.00 N ATOM 129 CA ILE A 8 -6.083 3.294 3.525 1.00 0.00 C ATOM 130 C ILE A 8 -7.316 4.140 3.200 1.00 0.00 C ATOM 131 O ILE A 8 -8.060 4.528 4.080 1.00 0.00 O ATOM 132 CB ILE A 8 -6.080 2.870 4.999 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.822 2.046 5.295 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.316 2.018 5.302 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.727 1.777 6.798 1.00 0.00 C ATOM 0 H ILE A 8 -4.854 5.027 3.769 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.115 2.432 2.858 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.093 3.764 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.855 1.104 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.936 2.581 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.305 1.722 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.216 2.597 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.307 1.128 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.832 1.191 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.674 2.724 7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.607 1.224 7.125 1.00 0.00 H new ATOM 147 N ASN A 9 -7.549 4.412 1.939 1.00 0.00 N ATOM 148 CA ASN A 9 -8.751 5.212 1.559 1.00 0.00 C ATOM 149 C ASN A 9 -9.881 4.259 1.172 1.00 0.00 C ATOM 150 O ASN A 9 -10.525 4.413 0.152 1.00 0.00 O ATOM 151 CB ASN A 9 -8.312 6.068 0.364 1.00 0.00 C ATOM 152 CG ASN A 9 -8.252 7.541 0.778 1.00 0.00 C ATOM 153 OD1 ASN A 9 -9.210 8.078 1.298 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.159 8.221 0.566 1.00 0.00 N ATOM 0 H ASN A 9 -6.960 4.115 1.161 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.118 5.840 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.335 5.740 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.011 5.941 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.109 9.203 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.355 7.771 0.130 1.00 0.00 H new ATOM 161 N GLY A 10 -10.114 3.266 1.990 1.00 0.00 N ATOM 162 CA GLY A 10 -11.187 2.276 1.699 1.00 0.00 C ATOM 163 C GLY A 10 -12.328 2.444 2.697 1.00 0.00 C ATOM 164 O GLY A 10 -12.132 2.910 3.804 1.00 0.00 O ATOM 0 H GLY A 10 -9.600 3.099 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.557 2.415 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.786 1.264 1.757 1.00 0.00 H new ATOM 168 N LYS A 11 -13.515 2.050 2.318 1.00 0.00 N ATOM 169 CA LYS A 11 -14.677 2.165 3.248 1.00 0.00 C ATOM 170 C LYS A 11 -14.563 1.130 4.378 1.00 0.00 C ATOM 171 O LYS A 11 -15.319 1.164 5.331 1.00 0.00 O ATOM 172 CB LYS A 11 -15.910 1.886 2.388 1.00 0.00 C ATOM 173 CG LYS A 11 -16.171 3.079 1.466 1.00 0.00 C ATOM 174 CD LYS A 11 -16.981 4.138 2.218 1.00 0.00 C ATOM 175 CE LYS A 11 -17.100 5.397 1.355 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.460 6.483 2.308 1.00 0.00 N ATOM 0 H LYS A 11 -13.730 1.653 1.403 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.726 3.146 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.757 0.983 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.777 1.708 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.226 3.503 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.713 2.754 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.972 3.752 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.497 4.377 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.163 5.615 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.863 5.278 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.560 7.380 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.360 6.251 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.712 6.578 3.025 1.00 0.00 H new ATOM 190 N THR A 12 -13.626 0.210 4.283 1.00 0.00 N ATOM 191 CA THR A 12 -13.471 -0.818 5.352 1.00 0.00 C ATOM 192 C THR A 12 -12.494 -0.326 6.424 1.00 0.00 C ATOM 193 O THR A 12 -12.652 -0.619 7.594 1.00 0.00 O ATOM 194 CB THR A 12 -12.910 -2.050 4.639 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.627 -2.263 3.431 1.00 0.00 O ATOM 196 CG2 THR A 12 -13.053 -3.275 5.544 1.00 0.00 C ATOM 0 H THR A 12 -12.966 0.132 3.509 1.00 0.00 H new ATOM 0 HA THR A 12 -14.413 -1.033 5.857 1.00 0.00 H new ATOM 0 HB THR A 12 -11.856 -1.891 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.268 -3.051 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.653 -4.152 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.502 -3.110 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.106 -3.437 5.773 1.00 0.00 H new ATOM 204 N LEU A 13 -11.485 0.416 6.034 1.00 0.00 N ATOM 205 CA LEU A 13 -10.498 0.921 7.039 1.00 0.00 C ATOM 206 C LEU A 13 -10.002 2.320 6.658 1.00 0.00 C ATOM 207 O LEU A 13 -10.223 2.789 5.557 1.00 0.00 O ATOM 208 CB LEU A 13 -9.346 -0.086 7.003 1.00 0.00 C ATOM 209 CG LEU A 13 -9.491 -1.074 8.163 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.975 -2.448 7.732 1.00 0.00 C ATOM 211 CD2 LEU A 13 -8.678 -0.577 9.360 1.00 0.00 C ATOM 0 H LEU A 13 -11.303 0.692 5.069 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.937 1.008 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.347 -0.622 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.391 0.436 7.073 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.541 -1.153 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.078 -3.151 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.554 -2.803 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.925 -2.370 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.781 -1.280 10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.628 -0.498 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.046 0.402 9.668 1.00 0.00 H new ATOM 223 N LYS A 14 -9.335 2.988 7.567 1.00 0.00 N ATOM 224 CA LYS A 14 -8.819 4.361 7.275 1.00 0.00 C ATOM 225 C LYS A 14 -7.506 4.605 8.030 1.00 0.00 C ATOM 226 O LYS A 14 -7.374 4.254 9.187 1.00 0.00 O ATOM 227 CB LYS A 14 -9.916 5.314 7.774 1.00 0.00 C ATOM 228 CG LYS A 14 -10.308 6.286 6.657 1.00 0.00 C ATOM 229 CD LYS A 14 -9.136 7.223 6.358 1.00 0.00 C ATOM 230 CE LYS A 14 -9.481 8.104 5.155 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.764 9.387 5.400 1.00 0.00 N ATOM 0 H LYS A 14 -9.125 2.640 8.502 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.606 4.506 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.788 4.743 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.561 5.868 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.583 5.732 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.183 6.864 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.922 7.844 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.236 6.643 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.157 7.643 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.557 8.262 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.952 10.045 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.097 9.806 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.742 9.207 5.463 1.00 0.00 H new ATOM 245 N GLY A 15 -6.537 5.204 7.381 1.00 0.00 N ATOM 246 CA GLY A 15 -5.233 5.474 8.054 1.00 0.00 C ATOM 247 C GLY A 15 -4.083 5.113 7.112 1.00 0.00 C ATOM 248 O GLY A 15 -4.115 5.420 5.935 1.00 0.00 O ATOM 0 H GLY A 15 -6.596 5.517 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.169 6.525 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.160 4.892 8.973 1.00 0.00 H new ATOM 252 N GLU A 16 -3.067 4.464 7.623 1.00 0.00 N ATOM 253 CA GLU A 16 -1.907 4.079 6.764 1.00 0.00 C ATOM 254 C GLU A 16 -1.309 2.752 7.241 1.00 0.00 C ATOM 255 O GLU A 16 -1.634 2.263 8.306 1.00 0.00 O ATOM 256 CB GLU A 16 -0.895 5.213 6.933 1.00 0.00 C ATOM 257 CG GLU A 16 -1.197 6.323 5.924 1.00 0.00 C ATOM 258 CD GLU A 16 0.112 6.972 5.471 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.866 6.315 4.773 1.00 0.00 O ATOM 260 OE2 GLU A 16 0.339 8.116 5.830 1.00 0.00 O ATOM 0 H GLU A 16 -2.991 4.184 8.601 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.195 3.940 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.941 5.608 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.117 4.837 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.728 5.913 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.849 7.071 6.375 1.00 0.00 H new ATOM 267 N THR A 17 -0.436 2.171 6.456 1.00 0.00 N ATOM 268 CA THR A 17 0.193 0.875 6.853 1.00 0.00 C ATOM 269 C THR A 17 1.655 0.838 6.399 1.00 0.00 C ATOM 270 O THR A 17 2.019 1.438 5.405 1.00 0.00 O ATOM 271 CB THR A 17 -0.621 -0.199 6.128 1.00 0.00 C ATOM 272 OG1 THR A 17 -2.000 -0.022 6.419 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.171 -1.584 6.594 1.00 0.00 C ATOM 0 H THR A 17 -0.132 2.540 5.555 1.00 0.00 H new ATOM 0 HA THR A 17 0.191 0.728 7.933 1.00 0.00 H new ATOM 0 HB THR A 17 -0.463 -0.112 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.496 -0.825 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.751 -2.348 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.887 -1.718 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.327 -1.675 7.669 1.00 0.00 H new ATOM 281 N THR A 18 2.493 0.139 7.122 1.00 0.00 N ATOM 282 CA THR A 18 3.935 0.059 6.741 1.00 0.00 C ATOM 283 C THR A 18 4.408 -1.397 6.755 1.00 0.00 C ATOM 284 O THR A 18 3.825 -2.241 7.409 1.00 0.00 O ATOM 285 CB THR A 18 4.671 0.872 7.807 1.00 0.00 C ATOM 286 OG1 THR A 18 4.229 0.470 9.096 1.00 0.00 O ATOM 287 CG2 THR A 18 4.381 2.361 7.608 1.00 0.00 C ATOM 0 H THR A 18 2.239 -0.381 7.962 1.00 0.00 H new ATOM 0 HA THR A 18 4.118 0.441 5.737 1.00 0.00 H new ATOM 0 HB THR A 18 5.744 0.699 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.701 0.989 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.906 2.939 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.721 2.669 6.619 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.309 2.538 7.694 1.00 0.00 H new ATOM 295 N THR A 19 5.464 -1.693 6.039 1.00 0.00 N ATOM 296 CA THR A 19 5.986 -3.093 6.004 1.00 0.00 C ATOM 297 C THR A 19 7.439 -3.105 5.516 1.00 0.00 C ATOM 298 O THR A 19 7.943 -2.116 5.019 1.00 0.00 O ATOM 299 CB THR A 19 5.075 -3.841 5.023 1.00 0.00 C ATOM 300 OG1 THR A 19 5.504 -5.192 4.922 1.00 0.00 O ATOM 301 CG2 THR A 19 5.133 -3.183 3.640 1.00 0.00 C ATOM 0 H THR A 19 5.988 -1.023 5.476 1.00 0.00 H new ATOM 0 HA THR A 19 5.981 -3.558 6.990 1.00 0.00 H new ATOM 0 HB THR A 19 4.049 -3.804 5.390 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.844 -5.778 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.482 -3.723 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.801 -2.147 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.157 -3.210 3.267 1.00 0.00 H new ATOM 309 N GLU A 20 8.110 -4.220 5.656 1.00 0.00 N ATOM 310 CA GLU A 20 9.530 -4.308 5.202 1.00 0.00 C ATOM 311 C GLU A 20 9.604 -4.983 3.829 1.00 0.00 C ATOM 312 O GLU A 20 9.125 -6.086 3.645 1.00 0.00 O ATOM 313 CB GLU A 20 10.231 -5.161 6.259 1.00 0.00 C ATOM 314 CG GLU A 20 10.887 -4.250 7.299 1.00 0.00 C ATOM 315 CD GLU A 20 9.882 -3.931 8.406 1.00 0.00 C ATOM 316 OE1 GLU A 20 9.102 -3.011 8.223 1.00 0.00 O ATOM 317 OE2 GLU A 20 9.909 -4.611 9.418 1.00 0.00 O ATOM 0 H GLU A 20 7.734 -5.075 6.066 1.00 0.00 H new ATOM 0 HA GLU A 20 9.993 -3.327 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.512 -5.823 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.983 -5.795 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.766 -4.737 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.228 -3.329 6.827 1.00 0.00 H new ATOM 324 N ALA A 21 10.201 -4.325 2.867 1.00 0.00 N ATOM 325 CA ALA A 21 10.310 -4.920 1.501 1.00 0.00 C ATOM 326 C ALA A 21 11.578 -4.418 0.806 1.00 0.00 C ATOM 327 O ALA A 21 11.917 -3.252 0.885 1.00 0.00 O ATOM 328 CB ALA A 21 9.066 -4.433 0.757 1.00 0.00 C ATOM 0 H ALA A 21 10.618 -3.400 2.970 1.00 0.00 H new ATOM 0 HA ALA A 21 10.370 -6.008 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.071 -4.828 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.173 -4.779 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.066 -3.344 0.722 1.00 0.00 H new ATOM 334 N VAL A 22 12.279 -5.291 0.125 1.00 0.00 N ATOM 335 CA VAL A 22 13.529 -4.867 -0.581 1.00 0.00 C ATOM 336 C VAL A 22 13.206 -3.782 -1.618 1.00 0.00 C ATOM 337 O VAL A 22 13.992 -2.883 -1.852 1.00 0.00 O ATOM 338 CB VAL A 22 14.066 -6.137 -1.257 1.00 0.00 C ATOM 339 CG1 VAL A 22 13.039 -6.677 -2.259 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.370 -5.811 -1.993 1.00 0.00 C ATOM 0 H VAL A 22 12.040 -6.278 0.027 1.00 0.00 H new ATOM 0 HA VAL A 22 14.265 -4.440 0.100 1.00 0.00 H new ATOM 0 HB VAL A 22 14.251 -6.893 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.431 -7.577 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.112 -6.915 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.843 -5.923 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.752 -6.712 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.180 -5.049 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.107 -5.439 -1.281 1.00 0.00 H new ATOM 350 N ASP A 23 12.052 -3.862 -2.232 1.00 0.00 N ATOM 351 CA ASP A 23 11.664 -2.839 -3.251 1.00 0.00 C ATOM 352 C ASP A 23 10.188 -3.000 -3.631 1.00 0.00 C ATOM 353 O ASP A 23 9.471 -3.789 -3.045 1.00 0.00 O ATOM 354 CB ASP A 23 12.566 -3.107 -4.462 1.00 0.00 C ATOM 355 CG ASP A 23 12.386 -4.549 -4.965 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.520 -5.244 -4.454 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.122 -4.934 -5.859 1.00 0.00 O ATOM 0 H ASP A 23 11.360 -4.594 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 23 11.786 -1.823 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.328 -2.405 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.608 -2.939 -4.190 1.00 0.00 H new ATOM 362 N ALA A 24 9.733 -2.252 -4.605 1.00 0.00 N ATOM 363 CA ALA A 24 8.303 -2.345 -5.030 1.00 0.00 C ATOM 364 C ALA A 24 7.943 -3.781 -5.432 1.00 0.00 C ATOM 365 O ALA A 24 6.791 -4.171 -5.394 1.00 0.00 O ATOM 366 CB ALA A 24 8.178 -1.409 -6.234 1.00 0.00 C ATOM 0 H ALA A 24 10.294 -1.578 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 24 7.626 -2.068 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.152 -1.425 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.441 -0.394 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.852 -1.740 -7.024 1.00 0.00 H new ATOM 372 N ALA A 25 8.918 -4.568 -5.817 1.00 0.00 N ATOM 373 CA ALA A 25 8.634 -5.981 -6.225 1.00 0.00 C ATOM 374 C ALA A 25 7.977 -6.747 -5.072 1.00 0.00 C ATOM 375 O ALA A 25 7.177 -7.638 -5.284 1.00 0.00 O ATOM 376 CB ALA A 25 9.998 -6.586 -6.561 1.00 0.00 C ATOM 0 H ALA A 25 9.899 -4.293 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 25 7.948 -6.031 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.870 -7.624 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.457 -6.021 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.641 -6.546 -5.681 1.00 0.00 H new ATOM 382 N THR A 26 8.311 -6.401 -3.854 1.00 0.00 N ATOM 383 CA THR A 26 7.711 -7.101 -2.679 1.00 0.00 C ATOM 384 C THR A 26 6.762 -6.163 -1.924 1.00 0.00 C ATOM 385 O THR A 26 5.860 -6.605 -1.238 1.00 0.00 O ATOM 386 CB THR A 26 8.900 -7.486 -1.797 1.00 0.00 C ATOM 387 OG1 THR A 26 9.827 -8.247 -2.559 1.00 0.00 O ATOM 388 CG2 THR A 26 8.410 -8.316 -0.609 1.00 0.00 C ATOM 0 H THR A 26 8.975 -5.662 -3.623 1.00 0.00 H new ATOM 0 HA THR A 26 7.124 -7.970 -2.975 1.00 0.00 H new ATOM 0 HB THR A 26 9.387 -6.583 -1.429 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.590 -8.493 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.258 -8.589 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.700 -7.731 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.922 -9.220 -0.973 1.00 0.00 H new ATOM 396 N ALA A 27 6.959 -4.871 -2.046 1.00 0.00 N ATOM 397 CA ALA A 27 6.067 -3.899 -1.335 1.00 0.00 C ATOM 398 C ALA A 27 4.611 -4.108 -1.760 1.00 0.00 C ATOM 399 O ALA A 27 3.763 -4.445 -0.956 1.00 0.00 O ATOM 400 CB ALA A 27 6.554 -2.514 -1.767 1.00 0.00 C ATOM 0 H ALA A 27 7.698 -4.448 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 27 6.106 -4.024 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.946 -1.748 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.596 -2.387 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.466 -2.419 -2.849 1.00 0.00 H new ATOM 406 N GLU A 28 4.321 -3.918 -3.023 1.00 0.00 N ATOM 407 CA GLU A 28 2.922 -4.114 -3.516 1.00 0.00 C ATOM 408 C GLU A 28 2.479 -5.555 -3.265 1.00 0.00 C ATOM 409 O GLU A 28 1.357 -5.806 -2.884 1.00 0.00 O ATOM 410 CB GLU A 28 2.980 -3.823 -5.018 1.00 0.00 C ATOM 411 CG GLU A 28 1.595 -3.400 -5.512 1.00 0.00 C ATOM 412 CD GLU A 28 1.617 -3.268 -7.036 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.231 -2.332 -7.521 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.018 -4.104 -7.692 1.00 0.00 O ATOM 0 H GLU A 28 4.994 -3.635 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 28 2.209 -3.465 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.705 -3.034 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.315 -4.709 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.849 -4.135 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.309 -2.451 -5.058 1.00 0.00 H new ATOM 421 N LYS A 29 3.360 -6.502 -3.467 1.00 0.00 N ATOM 422 CA LYS A 29 2.995 -7.936 -3.233 1.00 0.00 C ATOM 423 C LYS A 29 2.523 -8.134 -1.788 1.00 0.00 C ATOM 424 O LYS A 29 1.611 -8.894 -1.520 1.00 0.00 O ATOM 425 CB LYS A 29 4.279 -8.723 -3.488 1.00 0.00 C ATOM 426 CG LYS A 29 3.936 -10.185 -3.775 1.00 0.00 C ATOM 427 CD LYS A 29 5.069 -10.824 -4.579 1.00 0.00 C ATOM 428 CE LYS A 29 4.883 -10.507 -6.065 1.00 0.00 C ATOM 429 NZ LYS A 29 5.279 -11.755 -6.775 1.00 0.00 N ATOM 0 H LYS A 29 4.317 -6.346 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 29 2.182 -8.263 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.819 -8.293 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.936 -8.657 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.789 -10.726 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.000 -10.248 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.032 -10.447 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.075 -11.903 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.850 -10.238 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.504 -9.665 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.179 -11.617 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.269 -11.983 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.666 -12.538 -6.469 1.00 0.00 H new ATOM 443 N VAL A 30 3.138 -7.445 -0.862 1.00 0.00 N ATOM 444 CA VAL A 30 2.736 -7.574 0.571 1.00 0.00 C ATOM 445 C VAL A 30 1.539 -6.663 0.860 1.00 0.00 C ATOM 446 O VAL A 30 0.559 -7.082 1.449 1.00 0.00 O ATOM 447 CB VAL A 30 3.969 -7.127 1.365 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.659 -7.125 2.866 1.00 0.00 C ATOM 449 CG2 VAL A 30 5.123 -8.094 1.089 1.00 0.00 C ATOM 0 H VAL A 30 3.905 -6.796 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 30 2.432 -8.587 0.834 1.00 0.00 H new ATOM 0 HB VAL A 30 4.245 -6.118 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.542 -6.806 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.837 -6.438 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.377 -8.130 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.003 -7.781 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.836 -9.100 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.353 -8.091 0.024 1.00 0.00 H new ATOM 459 N PHE A 31 1.615 -5.421 0.454 1.00 0.00 N ATOM 460 CA PHE A 31 0.483 -4.480 0.709 1.00 0.00 C ATOM 461 C PHE A 31 -0.764 -4.940 -0.048 1.00 0.00 C ATOM 462 O PHE A 31 -1.875 -4.781 0.424 1.00 0.00 O ATOM 463 CB PHE A 31 0.957 -3.116 0.197 1.00 0.00 C ATOM 464 CG PHE A 31 1.694 -2.377 1.295 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.120 -2.242 2.568 1.00 0.00 C ATOM 466 CD2 PHE A 31 2.952 -1.821 1.037 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.803 -1.554 3.577 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.635 -1.133 2.047 1.00 0.00 C ATOM 469 CZ PHE A 31 3.061 -0.999 3.317 1.00 0.00 C ATOM 0 H PHE A 31 2.410 -5.019 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 31 0.217 -4.437 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.611 -3.249 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.103 -2.528 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.149 -2.670 2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.396 -1.923 0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.359 -1.451 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.606 -0.705 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.589 -0.468 4.095 1.00 0.00 H new ATOM 479 N LYS A 32 -0.591 -5.517 -1.212 1.00 0.00 N ATOM 480 CA LYS A 32 -1.774 -5.997 -1.987 1.00 0.00 C ATOM 481 C LYS A 32 -2.462 -7.120 -1.209 1.00 0.00 C ATOM 482 O LYS A 32 -3.671 -7.153 -1.085 1.00 0.00 O ATOM 483 CB LYS A 32 -1.223 -6.522 -3.314 1.00 0.00 C ATOM 484 CG LYS A 32 -2.381 -6.988 -4.199 1.00 0.00 C ATOM 485 CD LYS A 32 -1.851 -7.350 -5.588 1.00 0.00 C ATOM 486 CE LYS A 32 -2.721 -8.453 -6.194 1.00 0.00 C ATOM 487 NZ LYS A 32 -2.838 -8.102 -7.636 1.00 0.00 N ATOM 0 H LYS A 32 0.314 -5.675 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.507 -5.208 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.657 -5.740 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.535 -7.348 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.871 -7.851 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.131 -6.201 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.858 -6.471 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.816 -7.685 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.264 -9.434 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.700 -8.491 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.422 -8.814 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.283 -7.167 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.891 -8.080 -8.066 1.00 0.00 H new ATOM 501 N GLN A 33 -1.689 -8.034 -0.671 1.00 0.00 N ATOM 502 CA GLN A 33 -2.283 -9.156 0.121 1.00 0.00 C ATOM 503 C GLN A 33 -3.034 -8.589 1.322 1.00 0.00 C ATOM 504 O GLN A 33 -4.067 -9.088 1.727 1.00 0.00 O ATOM 505 CB GLN A 33 -1.097 -10.003 0.575 1.00 0.00 C ATOM 506 CG GLN A 33 -1.464 -11.486 0.499 1.00 0.00 C ATOM 507 CD GLN A 33 -2.367 -11.851 1.677 1.00 0.00 C ATOM 508 OE1 GLN A 33 -2.100 -11.476 2.802 1.00 0.00 O ATOM 509 NE2 GLN A 33 -3.433 -12.573 1.467 1.00 0.00 N ATOM 0 H GLN A 33 -0.672 -8.050 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.993 -9.746 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.231 -9.800 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.819 -9.739 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.973 -11.698 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.561 -12.096 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.658 -12.888 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.042 -12.822 2.247 1.00 0.00 H new ATOM 518 N TYR A 34 -2.516 -7.533 1.871 1.00 0.00 N ATOM 519 CA TYR A 34 -3.174 -6.876 3.040 1.00 0.00 C ATOM 520 C TYR A 34 -4.530 -6.308 2.590 1.00 0.00 C ATOM 521 O TYR A 34 -5.558 -6.591 3.176 1.00 0.00 O ATOM 522 CB TYR A 34 -2.180 -5.769 3.468 1.00 0.00 C ATOM 523 CG TYR A 34 -2.871 -4.666 4.243 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.089 -4.807 5.615 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.288 -3.506 3.580 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.727 -3.785 6.329 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.926 -2.485 4.290 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.146 -2.624 5.667 1.00 0.00 C ATOM 529 OH TYR A 34 -4.775 -1.617 6.370 1.00 0.00 O ATOM 0 H TYR A 34 -1.653 -7.087 1.560 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.383 -7.548 3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.391 -6.205 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.701 -5.348 2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.766 -5.703 6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.117 -3.400 2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.896 -3.892 7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.249 -1.590 3.778 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.999 -0.883 5.760 1.00 0.00 H new ATOM 539 N ALA A 35 -4.527 -5.513 1.553 1.00 0.00 N ATOM 540 CA ALA A 35 -5.805 -4.921 1.052 1.00 0.00 C ATOM 541 C ALA A 35 -6.737 -6.029 0.554 1.00 0.00 C ATOM 542 O ALA A 35 -7.930 -5.997 0.785 1.00 0.00 O ATOM 543 CB ALA A 35 -5.398 -4.004 -0.102 1.00 0.00 C ATOM 0 H ALA A 35 -3.693 -5.247 1.029 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.341 -4.378 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.286 -3.532 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.718 -3.235 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.899 -4.590 -0.874 1.00 0.00 H new ATOM 549 N ASN A 36 -6.197 -7.007 -0.131 1.00 0.00 N ATOM 550 CA ASN A 36 -7.041 -8.124 -0.654 1.00 0.00 C ATOM 551 C ASN A 36 -7.791 -8.811 0.493 1.00 0.00 C ATOM 552 O ASN A 36 -8.945 -9.172 0.362 1.00 0.00 O ATOM 553 CB ASN A 36 -6.062 -9.100 -1.314 1.00 0.00 C ATOM 554 CG ASN A 36 -6.055 -8.874 -2.828 1.00 0.00 C ATOM 555 OD1 ASN A 36 -5.011 -8.686 -3.421 1.00 0.00 O ATOM 556 ND2 ASN A 36 -7.184 -8.883 -3.482 1.00 0.00 N ATOM 0 H ASN A 36 -5.204 -7.079 -0.351 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.794 -7.768 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.060 -8.955 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.350 -10.127 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.190 -8.732 -4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.060 -9.041 -2.984 1.00 0.00 H new ATOM 563 N ASP A 37 -7.140 -8.989 1.615 1.00 0.00 N ATOM 564 CA ASP A 37 -7.810 -9.649 2.778 1.00 0.00 C ATOM 565 C ASP A 37 -8.953 -8.770 3.292 1.00 0.00 C ATOM 566 O ASP A 37 -10.091 -9.194 3.359 1.00 0.00 O ATOM 567 CB ASP A 37 -6.722 -9.793 3.844 1.00 0.00 C ATOM 568 CG ASP A 37 -5.965 -11.105 3.627 1.00 0.00 C ATOM 569 OD1 ASP A 37 -6.450 -12.127 4.083 1.00 0.00 O ATOM 570 OD2 ASP A 37 -4.915 -11.066 3.008 1.00 0.00 O ATOM 0 H ASP A 37 -6.173 -8.706 1.776 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.242 -10.614 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.033 -8.950 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.168 -9.778 4.838 1.00 0.00 H new ATOM 575 N ASN A 38 -8.655 -7.546 3.649 1.00 0.00 N ATOM 576 CA ASN A 38 -9.722 -6.628 4.155 1.00 0.00 C ATOM 577 C ASN A 38 -10.740 -6.352 3.047 1.00 0.00 C ATOM 578 O ASN A 38 -11.933 -6.500 3.238 1.00 0.00 O ATOM 579 CB ASN A 38 -8.996 -5.339 4.549 1.00 0.00 C ATOM 580 CG ASN A 38 -8.601 -5.404 6.025 1.00 0.00 C ATOM 581 OD1 ASN A 38 -9.448 -5.357 6.895 1.00 0.00 O ATOM 582 ND2 ASN A 38 -7.341 -5.509 6.346 1.00 0.00 N ATOM 0 H ASN A 38 -7.719 -7.142 3.612 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.268 -7.055 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.109 -5.206 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.640 -4.478 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.067 -5.552 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.630 -5.548 5.616 1.00 0.00 H new ATOM 589 N GLY A 39 -10.274 -5.954 1.891 1.00 0.00 N ATOM 590 CA GLY A 39 -11.204 -5.669 0.760 1.00 0.00 C ATOM 591 C GLY A 39 -10.952 -4.257 0.227 1.00 0.00 C ATOM 592 O GLY A 39 -11.853 -3.443 0.162 1.00 0.00 O ATOM 0 H GLY A 39 -9.285 -5.814 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.059 -6.400 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.237 -5.763 1.094 1.00 0.00 H new ATOM 596 N ILE A 40 -9.734 -3.964 -0.160 1.00 0.00 N ATOM 597 CA ILE A 40 -9.425 -2.604 -0.697 1.00 0.00 C ATOM 598 C ILE A 40 -8.931 -2.704 -2.143 1.00 0.00 C ATOM 599 O ILE A 40 -7.762 -2.514 -2.423 1.00 0.00 O ATOM 600 CB ILE A 40 -8.331 -2.042 0.221 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.893 -1.915 1.643 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.884 -0.659 -0.281 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.797 -1.437 2.599 1.00 0.00 C ATOM 0 H ILE A 40 -8.943 -4.607 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.303 -1.958 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.472 -2.713 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.726 -1.213 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.283 -2.877 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.107 -0.267 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.491 -0.749 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.736 0.021 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.205 -1.350 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.977 -2.155 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.427 -0.465 2.272 1.00 0.00 H new ATOM 615 N ASP A 41 -9.820 -2.976 -3.063 1.00 0.00 N ATOM 616 CA ASP A 41 -9.419 -3.064 -4.500 1.00 0.00 C ATOM 617 C ASP A 41 -9.684 -1.715 -5.178 1.00 0.00 C ATOM 618 O ASP A 41 -10.203 -1.646 -6.275 1.00 0.00 O ATOM 619 CB ASP A 41 -10.296 -4.169 -5.104 1.00 0.00 C ATOM 620 CG ASP A 41 -11.779 -3.809 -4.955 1.00 0.00 C ATOM 621 OD1 ASP A 41 -12.254 -3.003 -5.738 1.00 0.00 O ATOM 622 OD2 ASP A 41 -12.411 -4.346 -4.060 1.00 0.00 O ATOM 0 H ASP A 41 -10.810 -3.142 -2.881 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.361 -3.293 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.051 -4.303 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.093 -5.117 -4.607 1.00 0.00 H new ATOM 627 N GLY A 42 -9.340 -0.644 -4.510 1.00 0.00 N ATOM 628 CA GLY A 42 -9.571 0.715 -5.070 1.00 0.00 C ATOM 629 C GLY A 42 -8.660 0.957 -6.269 1.00 0.00 C ATOM 630 O GLY A 42 -8.475 0.098 -7.110 1.00 0.00 O ATOM 0 H GLY A 42 -8.903 -0.657 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.614 0.819 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.383 1.468 -4.304 1.00 0.00 H new ATOM 634 N GLU A 43 -8.084 2.127 -6.338 1.00 0.00 N ATOM 635 CA GLU A 43 -7.171 2.458 -7.456 1.00 0.00 C ATOM 636 C GLU A 43 -5.765 2.656 -6.903 1.00 0.00 C ATOM 637 O GLU A 43 -5.488 3.625 -6.220 1.00 0.00 O ATOM 638 CB GLU A 43 -7.714 3.756 -8.056 1.00 0.00 C ATOM 639 CG GLU A 43 -9.064 3.485 -8.724 1.00 0.00 C ATOM 640 CD GLU A 43 -8.838 2.822 -10.084 1.00 0.00 C ATOM 641 OE1 GLU A 43 -8.743 1.606 -10.119 1.00 0.00 O ATOM 642 OE2 GLU A 43 -8.765 3.541 -11.067 1.00 0.00 O ATOM 0 H GLU A 43 -8.213 2.874 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.120 1.673 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.827 4.510 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.009 4.155 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.672 2.840 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.613 4.418 -8.849 1.00 0.00 H new ATOM 649 N TRP A 44 -4.891 1.724 -7.160 1.00 0.00 N ATOM 650 CA TRP A 44 -3.514 1.820 -6.619 1.00 0.00 C ATOM 651 C TRP A 44 -2.653 2.808 -7.397 1.00 0.00 C ATOM 652 O TRP A 44 -2.735 2.924 -8.604 1.00 0.00 O ATOM 653 CB TRP A 44 -2.947 0.410 -6.716 1.00 0.00 C ATOM 654 CG TRP A 44 -3.543 -0.400 -5.620 1.00 0.00 C ATOM 655 CD1 TRP A 44 -4.831 -0.811 -5.575 1.00 0.00 C ATOM 656 CD2 TRP A 44 -2.913 -0.880 -4.401 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.030 -1.518 -4.404 1.00 0.00 N ATOM 658 CE2 TRP A 44 -3.876 -1.586 -3.647 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.610 -0.774 -3.883 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.561 -2.164 -2.421 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.288 -1.358 -2.647 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.263 -2.050 -1.917 1.00 0.00 C ATOM 0 H TRP A 44 -5.076 0.896 -7.726 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.523 2.193 -5.595 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.181 -0.029 -7.686 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.861 0.429 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.580 -0.619 -6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.919 -1.938 -4.132 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.853 -0.241 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.316 -2.698 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.284 -1.273 -2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.012 -2.495 -0.966 1.00 0.00 H new ATOM 673 N THR A 45 -1.811 3.500 -6.687 1.00 0.00 N ATOM 674 CA THR A 45 -0.892 4.482 -7.317 1.00 0.00 C ATOM 675 C THR A 45 0.349 4.601 -6.439 1.00 0.00 C ATOM 676 O THR A 45 0.253 4.732 -5.232 1.00 0.00 O ATOM 677 CB THR A 45 -1.654 5.805 -7.360 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.374 5.980 -6.147 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.625 5.800 -8.543 1.00 0.00 C ATOM 0 H THR A 45 -1.720 3.424 -5.674 1.00 0.00 H new ATOM 0 HA THR A 45 -0.579 4.190 -8.319 1.00 0.00 H new ATOM 0 HB THR A 45 -0.947 6.626 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.861 6.830 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.168 6.745 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.067 5.673 -9.471 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.332 4.978 -8.430 1.00 0.00 H new ATOM 687 N TYR A 46 1.505 4.532 -7.029 1.00 0.00 N ATOM 688 CA TYR A 46 2.760 4.611 -6.229 1.00 0.00 C ATOM 689 C TYR A 46 3.378 6.012 -6.354 1.00 0.00 C ATOM 690 O TYR A 46 3.639 6.492 -7.442 1.00 0.00 O ATOM 691 CB TYR A 46 3.656 3.521 -6.847 1.00 0.00 C ATOM 692 CG TYR A 46 5.096 3.658 -6.393 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.538 3.007 -5.235 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.990 4.427 -7.148 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.873 3.124 -4.833 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.324 4.547 -6.745 1.00 0.00 C ATOM 697 CZ TYR A 46 7.767 3.896 -5.588 1.00 0.00 C ATOM 698 OH TYR A 46 9.085 4.012 -5.196 1.00 0.00 O ATOM 0 H TYR A 46 1.639 4.424 -8.034 1.00 0.00 H new ATOM 0 HA TYR A 46 2.611 4.452 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.278 2.537 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.609 3.584 -7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.848 2.414 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.649 4.928 -8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.215 2.620 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.012 5.142 -7.327 1.00 0.00 H new ATOM 0 HH TYR A 46 9.566 4.582 -5.832 1.00 0.00 H new ATOM 708 N ASP A 47 3.615 6.660 -5.242 1.00 0.00 N ATOM 709 CA ASP A 47 4.219 8.024 -5.275 1.00 0.00 C ATOM 710 C ASP A 47 5.738 7.928 -5.102 1.00 0.00 C ATOM 711 O ASP A 47 6.228 7.538 -4.058 1.00 0.00 O ATOM 712 CB ASP A 47 3.590 8.763 -4.093 1.00 0.00 C ATOM 713 CG ASP A 47 3.598 10.268 -4.367 1.00 0.00 C ATOM 714 OD1 ASP A 47 3.349 10.646 -5.500 1.00 0.00 O ATOM 715 OD2 ASP A 47 3.854 11.017 -3.438 1.00 0.00 O ATOM 0 H ASP A 47 3.415 6.300 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 47 4.036 8.537 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.568 8.417 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.143 8.546 -3.179 1.00 0.00 H new ATOM 720 N ASP A 48 6.481 8.277 -6.122 1.00 0.00 N ATOM 721 CA ASP A 48 7.974 8.207 -6.030 1.00 0.00 C ATOM 722 C ASP A 48 8.515 9.276 -5.070 1.00 0.00 C ATOM 723 O ASP A 48 9.657 9.217 -4.654 1.00 0.00 O ATOM 724 CB ASP A 48 8.476 8.468 -7.453 1.00 0.00 C ATOM 725 CG ASP A 48 9.944 8.052 -7.561 1.00 0.00 C ATOM 726 OD1 ASP A 48 10.207 6.862 -7.511 1.00 0.00 O ATOM 727 OD2 ASP A 48 10.779 8.932 -7.693 1.00 0.00 O ATOM 0 H ASP A 48 6.119 8.608 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 48 8.308 7.244 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.875 7.909 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.367 9.524 -7.700 1.00 0.00 H new ATOM 732 N ALA A 49 7.712 10.255 -4.719 1.00 0.00 N ATOM 733 CA ALA A 49 8.185 11.328 -3.794 1.00 0.00 C ATOM 734 C ALA A 49 8.692 10.726 -2.480 1.00 0.00 C ATOM 735 O ALA A 49 9.726 11.115 -1.970 1.00 0.00 O ATOM 736 CB ALA A 49 6.961 12.210 -3.536 1.00 0.00 C ATOM 0 H ALA A 49 6.748 10.354 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 49 9.013 11.892 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.233 13.022 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.606 12.625 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.171 11.612 -3.082 1.00 0.00 H new ATOM 742 N THR A 50 7.968 9.784 -1.927 1.00 0.00 N ATOM 743 CA THR A 50 8.403 9.159 -0.641 1.00 0.00 C ATOM 744 C THR A 50 7.974 7.688 -0.583 1.00 0.00 C ATOM 745 O THR A 50 7.813 7.124 0.482 1.00 0.00 O ATOM 746 CB THR A 50 7.694 9.965 0.451 1.00 0.00 C ATOM 747 OG1 THR A 50 6.289 9.876 0.264 1.00 0.00 O ATOM 748 CG2 THR A 50 8.129 11.431 0.373 1.00 0.00 C ATOM 0 H THR A 50 7.095 9.422 -2.311 1.00 0.00 H new ATOM 0 HA THR A 50 9.487 9.174 -0.526 1.00 0.00 H new ATOM 0 HB THR A 50 7.958 9.563 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.833 10.390 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.623 12.003 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.207 11.499 0.516 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.867 11.837 -0.604 1.00 0.00 H new ATOM 756 N LYS A 51 7.792 7.061 -1.723 1.00 0.00 N ATOM 757 CA LYS A 51 7.376 5.617 -1.748 1.00 0.00 C ATOM 758 C LYS A 51 6.130 5.393 -0.882 1.00 0.00 C ATOM 759 O LYS A 51 6.230 5.109 0.298 1.00 0.00 O ATOM 760 CB LYS A 51 8.573 4.841 -1.178 1.00 0.00 C ATOM 761 CG LYS A 51 9.238 4.024 -2.287 1.00 0.00 C ATOM 762 CD LYS A 51 10.395 4.825 -2.889 1.00 0.00 C ATOM 763 CE LYS A 51 11.506 4.988 -1.846 1.00 0.00 C ATOM 764 NZ LYS A 51 12.546 3.994 -2.232 1.00 0.00 N ATOM 0 H LYS A 51 7.914 7.488 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 51 7.118 5.290 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.293 5.534 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.241 4.181 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.606 3.079 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.509 3.780 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.783 4.316 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.042 5.803 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.907 6.001 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.133 4.799 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.341 4.046 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.137 3.038 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.887 4.204 -3.192 1.00 0.00 H new ATOM 778 N THR A 52 4.960 5.518 -1.459 1.00 0.00 N ATOM 779 CA THR A 52 3.712 5.312 -0.665 1.00 0.00 C ATOM 780 C THR A 52 2.579 4.786 -1.554 1.00 0.00 C ATOM 781 O THR A 52 1.946 5.538 -2.271 1.00 0.00 O ATOM 782 CB THR A 52 3.361 6.698 -0.116 1.00 0.00 C ATOM 783 OG1 THR A 52 4.456 7.195 0.641 1.00 0.00 O ATOM 784 CG2 THR A 52 2.121 6.604 0.779 1.00 0.00 C ATOM 0 H THR A 52 4.817 5.753 -2.441 1.00 0.00 H new ATOM 0 HA THR A 52 3.851 4.576 0.127 1.00 0.00 H new ATOM 0 HB THR A 52 3.153 7.373 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.765 8.040 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.876 7.593 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.281 6.224 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.323 5.928 1.610 1.00 0.00 H new ATOM 792 N PHE A 53 2.304 3.503 -1.494 1.00 0.00 N ATOM 793 CA PHE A 53 1.192 2.932 -2.320 1.00 0.00 C ATOM 794 C PHE A 53 -0.127 3.581 -1.894 1.00 0.00 C ATOM 795 O PHE A 53 -0.443 3.631 -0.720 1.00 0.00 O ATOM 796 CB PHE A 53 1.177 1.434 -2.004 1.00 0.00 C ATOM 797 CG PHE A 53 2.396 0.776 -2.605 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.355 0.297 -3.920 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.565 0.642 -1.848 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.482 -0.319 -4.476 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.693 0.028 -2.404 1.00 0.00 C ATOM 802 CZ PHE A 53 4.652 -0.453 -3.718 1.00 0.00 C ATOM 0 H PHE A 53 2.800 2.829 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 53 1.325 3.110 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.163 1.280 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.271 0.977 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.454 0.403 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.597 1.013 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.449 -0.691 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.595 -0.075 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.522 -0.927 -4.147 1.00 0.00 H new ATOM 812 N THR A 54 -0.881 4.111 -2.824 1.00 0.00 N ATOM 813 CA THR A 54 -2.159 4.793 -2.434 1.00 0.00 C ATOM 814 C THR A 54 -3.402 4.168 -3.096 1.00 0.00 C ATOM 815 O THR A 54 -3.713 4.455 -4.237 1.00 0.00 O ATOM 816 CB THR A 54 -1.973 6.237 -2.909 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.785 6.769 -2.339 1.00 0.00 O ATOM 818 CG2 THR A 54 -3.171 7.087 -2.479 1.00 0.00 C ATOM 0 H THR A 54 -0.674 4.103 -3.823 1.00 0.00 H new ATOM 0 HA THR A 54 -2.338 4.704 -1.362 1.00 0.00 H new ATOM 0 HB THR A 54 -1.898 6.251 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.662 7.693 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.031 8.113 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.082 6.680 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.254 7.075 -1.392 1.00 0.00 H new ATOM 826 N VAL A 55 -4.145 3.358 -2.366 1.00 0.00 N ATOM 827 CA VAL A 55 -5.395 2.771 -2.928 1.00 0.00 C ATOM 828 C VAL A 55 -6.601 3.557 -2.392 1.00 0.00 C ATOM 829 O VAL A 55 -6.478 4.345 -1.472 1.00 0.00 O ATOM 830 CB VAL A 55 -5.455 1.293 -2.483 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.639 1.182 -0.970 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.638 0.607 -3.168 1.00 0.00 C ATOM 0 H VAL A 55 -3.933 3.084 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.410 2.826 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.516 0.815 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.678 0.131 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.802 1.664 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.569 1.672 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.684 -0.437 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.563 1.110 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.511 0.658 -4.249 1.00 0.00 H new ATOM 842 N THR A 56 -7.756 3.346 -2.959 1.00 0.00 N ATOM 843 CA THR A 56 -8.971 4.076 -2.499 1.00 0.00 C ATOM 844 C THR A 56 -10.231 3.325 -2.940 1.00 0.00 C ATOM 845 O THR A 56 -10.562 3.293 -4.112 1.00 0.00 O ATOM 846 CB THR A 56 -8.876 5.431 -3.197 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.690 6.092 -2.781 1.00 0.00 O ATOM 848 CG2 THR A 56 -10.093 6.291 -2.844 1.00 0.00 C ATOM 0 H THR A 56 -7.912 2.694 -3.728 1.00 0.00 H new ATOM 0 HA THR A 56 -9.028 4.172 -1.415 1.00 0.00 H new ATOM 0 HB THR A 56 -8.852 5.277 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.356 5.678 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.015 7.255 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.002 5.785 -3.168 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.129 6.446 -1.766 1.00 0.00 H new ATOM 856 N GLU A 57 -10.932 2.725 -2.012 1.00 0.00 N ATOM 857 CA GLU A 57 -12.173 1.975 -2.371 1.00 0.00 C ATOM 858 C GLU A 57 -13.397 2.885 -2.239 1.00 0.00 C ATOM 859 O GLU A 57 -14.446 2.509 -2.736 1.00 0.00 O ATOM 860 CB GLU A 57 -12.246 0.826 -1.365 1.00 0.00 C ATOM 861 CG GLU A 57 -12.870 -0.400 -2.033 1.00 0.00 C ATOM 862 CD GLU A 57 -14.387 -0.218 -2.118 1.00 0.00 C ATOM 863 OE1 GLU A 57 -15.020 -0.195 -1.075 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.890 -0.105 -3.224 1.00 0.00 O ATOM 865 OXT GLU A 57 -13.264 3.941 -1.644 1.00 0.00 O ATOM 0 H GLU A 57 -10.698 2.722 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.156 1.615 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.248 0.585 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.839 1.123 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.453 -0.536 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.632 -1.298 -1.463 1.00 0.00 H new