USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 64 GLN : amide:sc= -0.686 X(o=-0.011,f=-0.41) USER MOD Set 1.2: A 67 GLN : amide:sc= 0.675 K(o=-0.011,f=-1.5) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0.0778 USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.146 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 15 SER OG : rot 60:sc= -0.784 USER MOD Set 4.2: A 78 LYS NZ :NH3+ -136:sc= -0.174 (180deg=-2.14!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.59) USER MOD Single : A 12 ASN : amide:sc= 0.127 K(o=0.13,f=-2.3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 160:sc= -0.0103 (180deg=-0.19) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 32 SER OG : rot 180:sc= 0.036 USER MOD Single : A 34 ASN : amide:sc= 0.0818 K(o=0.082,f=-2.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -26:sc= -0.724 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 46 ASN : amide:sc= 0.0288 K(o=0.029,f=-1.7!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0109 F(o=-1.2,f=-0.011) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0205 F(o=-0.57,f=-0.02) USER MOD Single : A 70 HIS : no HD1:sc=-0.00309 X(o=-0.0031,f=0) USER MOD Single : A 74 THR OG1 : rot -119:sc= -0.176 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.064 9.457 -0.547 1.00 2.11 N ATOM 43 CA ASP A 4 9.066 8.037 -0.851 1.00 75.21 C ATOM 44 C ASP A 4 7.692 7.395 -0.678 1.00 4.05 C ATOM 45 O ASP A 4 7.399 6.747 0.334 1.00 23.31 O ATOM 46 CB ASP A 4 10.151 7.305 -0.048 1.00 55.44 C ATOM 47 CG ASP A 4 11.554 7.898 -0.161 1.00 24.32 C ATOM 48 OD1 ASP A 4 11.755 9.070 0.235 1.00 2.12 O ATOM 49 OD2 ASP A 4 12.464 7.217 -0.677 1.00 74.14 O ATOM 0 HA ASP A 4 9.310 7.936 -1.909 1.00 75.21 H new ATOM 0 HB2 ASP A 4 9.860 7.298 1.003 1.00 55.44 H new ATOM 0 HB3 ASP A 4 10.185 6.266 -0.377 1.00 55.44 H new ATOM 54 N THR A 5 6.873 7.495 -1.724 1.00 10.21 N ATOM 55 CA THR A 5 5.538 6.914 -1.734 1.00 11.32 C ATOM 56 C THR A 5 5.560 5.596 -2.526 1.00 54.50 C ATOM 57 O THR A 5 5.665 5.614 -3.757 1.00 12.42 O ATOM 58 CB THR A 5 4.504 7.907 -2.295 1.00 42.32 C ATOM 59 OG1 THR A 5 4.531 9.155 -1.621 1.00 2.34 O ATOM 60 CG2 THR A 5 3.095 7.330 -2.120 1.00 3.02 C ATOM 0 H THR A 5 7.119 7.981 -2.586 1.00 10.21 H new ATOM 0 HA THR A 5 5.234 6.695 -0.711 1.00 11.32 H new ATOM 0 HB THR A 5 4.756 8.063 -3.344 1.00 42.32 H new ATOM 0 HG1 THR A 5 3.860 9.753 -2.012 1.00 2.34 H new ATOM 0 HG21 THR A 5 2.362 8.033 -2.517 1.00 3.02 H new ATOM 0 HG22 THR A 5 3.020 6.385 -2.657 1.00 3.02 H new ATOM 0 HG23 THR A 5 2.900 7.162 -1.061 1.00 3.02 H new ATOM 68 N ILE A 6 5.424 4.453 -1.846 1.00 72.41 N ATOM 69 CA ILE A 6 5.140 3.179 -2.501 1.00 71.44 C ATOM 70 C ILE A 6 3.636 3.199 -2.797 1.00 11.21 C ATOM 71 O ILE A 6 2.817 3.269 -1.877 1.00 5.22 O ATOM 72 CB ILE A 6 5.573 1.948 -1.657 1.00 52.01 C ATOM 73 CG1 ILE A 6 7.032 2.077 -1.164 1.00 45.23 C ATOM 74 CG2 ILE A 6 5.388 0.665 -2.492 1.00 71.00 C ATOM 75 CD1 ILE A 6 7.574 0.873 -0.386 1.00 62.50 C ATOM 0 H ILE A 6 5.508 4.388 -0.832 1.00 72.41 H new ATOM 0 HA ILE A 6 5.722 3.072 -3.416 1.00 71.44 H new ATOM 0 HB ILE A 6 4.941 1.898 -0.770 1.00 52.01 H new ATOM 0 HG12 ILE A 6 7.675 2.249 -2.027 1.00 45.23 H new ATOM 0 HG13 ILE A 6 7.106 2.961 -0.530 1.00 45.23 H new ATOM 0 HG21 ILE A 6 5.691 -0.200 -1.902 1.00 71.00 H new ATOM 0 HG22 ILE A 6 4.340 0.563 -2.774 1.00 71.00 H new ATOM 0 HG23 ILE A 6 6.002 0.724 -3.391 1.00 71.00 H new ATOM 0 HD11 ILE A 6 8.604 1.067 -0.087 1.00 62.50 H new ATOM 0 HD12 ILE A 6 6.963 0.708 0.502 1.00 62.50 H new ATOM 0 HD13 ILE A 6 7.541 -0.014 -1.019 1.00 62.50 H new ATOM 87 N ILE A 7 3.257 3.211 -4.071 1.00 41.52 N ATOM 88 CA ILE A 7 1.862 3.103 -4.488 1.00 25.12 C ATOM 89 C ILE A 7 1.481 1.630 -4.553 1.00 63.10 C ATOM 90 O ILE A 7 2.225 0.804 -5.085 1.00 24.35 O ATOM 91 CB ILE A 7 1.604 3.872 -5.800 1.00 41.14 C ATOM 92 CG1 ILE A 7 1.983 5.356 -5.685 1.00 41.41 C ATOM 93 CG2 ILE A 7 0.169 3.729 -6.341 1.00 52.12 C ATOM 94 CD1 ILE A 7 2.584 5.905 -6.968 1.00 51.54 C ATOM 0 H ILE A 7 3.912 3.296 -4.848 1.00 41.52 H new ATOM 0 HA ILE A 7 1.212 3.580 -3.754 1.00 25.12 H new ATOM 0 HB ILE A 7 2.261 3.397 -6.528 1.00 41.14 H new ATOM 0 HG12 ILE A 7 1.096 5.935 -5.426 1.00 41.41 H new ATOM 0 HG13 ILE A 7 2.696 5.483 -4.870 1.00 41.41 H new ATOM 0 HG21 ILE A 7 0.070 4.299 -7.265 1.00 52.12 H new ATOM 0 HG22 ILE A 7 -0.042 2.678 -6.539 1.00 52.12 H new ATOM 0 HG23 ILE A 7 -0.538 4.109 -5.603 1.00 52.12 H new ATOM 0 HD11 ILE A 7 2.834 6.957 -6.832 1.00 51.54 H new ATOM 0 HD12 ILE A 7 3.487 5.347 -7.215 1.00 51.54 H new ATOM 0 HD13 ILE A 7 1.863 5.805 -7.779 1.00 51.54 H new ATOM 106 N LEU A 8 0.289 1.331 -4.045 1.00 42.32 N ATOM 107 CA LEU A 8 -0.359 0.032 -4.179 1.00 41.10 C ATOM 108 C LEU A 8 -1.505 0.140 -5.174 1.00 70.12 C ATOM 109 O LEU A 8 -2.095 1.212 -5.333 1.00 25.25 O ATOM 110 CB LEU A 8 -0.953 -0.451 -2.850 1.00 5.02 C ATOM 111 CG LEU A 8 -0.001 -0.652 -1.660 1.00 61.53 C ATOM 112 CD1 LEU A 8 -0.836 -1.258 -0.521 1.00 33.32 C ATOM 113 CD2 LEU A 8 1.194 -1.552 -1.989 1.00 23.32 C ATOM 0 H LEU A 8 -0.266 2.003 -3.516 1.00 42.32 H new ATOM 0 HA LEU A 8 0.401 -0.675 -4.512 1.00 41.10 H new ATOM 0 HB2 LEU A 8 -1.718 0.264 -2.548 1.00 5.02 H new ATOM 0 HB3 LEU A 8 -1.458 -1.399 -3.036 1.00 5.02 H new ATOM 0 HG LEU A 8 0.431 0.309 -1.380 1.00 61.53 H new ATOM 0 HD11 LEU A 8 -0.201 -1.420 0.350 1.00 33.32 H new ATOM 0 HD12 LEU A 8 -1.644 -0.575 -0.259 1.00 33.32 H new ATOM 0 HD13 LEU A 8 -1.257 -2.210 -0.845 1.00 33.32 H new ATOM 0 HD21 LEU A 8 1.827 -1.653 -1.107 1.00 23.32 H new ATOM 0 HD22 LEU A 8 0.836 -2.535 -2.294 1.00 23.32 H new ATOM 0 HD23 LEU A 8 1.771 -1.109 -2.801 1.00 23.32 H new ATOM 125 N ARG A 9 -1.926 -0.993 -5.736 1.00 34.41 N ATOM 126 CA ARG A 9 -3.107 -1.124 -6.594 1.00 34.24 C ATOM 127 C ARG A 9 -3.848 -2.403 -6.267 1.00 32.52 C ATOM 128 O ARG A 9 -3.354 -3.230 -5.504 1.00 24.42 O ATOM 129 CB ARG A 9 -2.699 -1.145 -8.072 1.00 21.14 C ATOM 130 CG ARG A 9 -2.270 0.221 -8.569 1.00 72.41 C ATOM 131 CD ARG A 9 -1.798 0.112 -10.022 1.00 50.30 C ATOM 132 NE ARG A 9 -2.730 0.789 -10.935 1.00 25.02 N ATOM 133 CZ ARG A 9 -3.763 0.269 -11.605 1.00 12.31 C ATOM 134 NH1 ARG A 9 -4.083 -1.016 -11.550 1.00 2.53 N ATOM 135 NH2 ARG A 9 -4.504 1.066 -12.354 1.00 53.33 N ATOM 0 H ARG A 9 -1.437 -1.878 -5.602 1.00 34.41 H new ATOM 0 HA ARG A 9 -3.756 -0.267 -6.413 1.00 34.24 H new ATOM 0 HB2 ARG A 9 -1.882 -1.853 -8.211 1.00 21.14 H new ATOM 0 HB3 ARG A 9 -3.536 -1.502 -8.673 1.00 21.14 H new ATOM 0 HG2 ARG A 9 -3.101 0.923 -8.497 1.00 72.41 H new ATOM 0 HG3 ARG A 9 -1.468 0.612 -7.943 1.00 72.41 H new ATOM 0 HD2 ARG A 9 -0.806 0.552 -10.119 1.00 50.30 H new ATOM 0 HD3 ARG A 9 -1.710 -0.938 -10.301 1.00 50.30 H new ATOM 0 HE ARG A 9 -2.567 1.786 -11.076 1.00 25.02 H new ATOM 0 HH11 ARG A 9 -3.531 -1.655 -10.978 1.00 2.53 H new ATOM 0 HH12 ARG A 9 -4.881 -1.366 -12.080 1.00 2.53 H new ATOM 0 HH21 ARG A 9 -4.284 2.060 -12.414 1.00 53.33 H new ATOM 0 HH22 ARG A 9 -5.296 0.687 -12.873 1.00 53.33 H new ATOM 149 N ASN A 10 -5.024 -2.553 -6.876 1.00 53.33 N ATOM 150 CA ASN A 10 -5.863 -3.745 -6.870 1.00 33.44 C ATOM 151 C ASN A 10 -6.563 -3.978 -5.522 1.00 24.20 C ATOM 152 O ASN A 10 -7.135 -5.039 -5.294 1.00 11.22 O ATOM 153 CB ASN A 10 -5.077 -4.968 -7.390 1.00 21.32 C ATOM 154 CG ASN A 10 -5.999 -6.115 -7.766 1.00 2.12 C ATOM 155 OD1 ASN A 10 -6.897 -5.943 -8.581 1.00 63.25 O ATOM 156 ND2 ASN A 10 -5.795 -7.289 -7.201 1.00 52.22 N ATOM 0 H ASN A 10 -5.440 -1.797 -7.420 1.00 53.33 H new ATOM 0 HA ASN A 10 -6.683 -3.581 -7.569 1.00 33.44 H new ATOM 0 HB2 ASN A 10 -4.486 -4.677 -8.259 1.00 21.32 H new ATOM 0 HB3 ASN A 10 -4.376 -5.301 -6.625 1.00 21.32 H new ATOM 0 HD21 ASN A 10 -6.392 -8.081 -7.440 1.00 52.22 H new ATOM 0 HD22 ASN A 10 -5.040 -7.405 -6.525 1.00 52.22 H new ATOM 163 N LEU A 11 -6.593 -2.983 -4.626 1.00 52.24 N ATOM 164 CA LEU A 11 -7.308 -3.032 -3.357 1.00 14.00 C ATOM 165 C LEU A 11 -8.783 -3.353 -3.628 1.00 72.15 C ATOM 166 O LEU A 11 -9.428 -2.646 -4.402 1.00 72.22 O ATOM 167 CB LEU A 11 -7.192 -1.676 -2.633 1.00 23.12 C ATOM 168 CG LEU A 11 -5.796 -1.200 -2.180 1.00 71.22 C ATOM 169 CD1 LEU A 11 -5.218 -2.045 -1.045 1.00 13.32 C ATOM 170 CD2 LEU A 11 -4.739 -1.086 -3.277 1.00 34.33 C ATOM 0 H LEU A 11 -6.105 -2.100 -4.774 1.00 52.24 H new ATOM 0 HA LEU A 11 -6.873 -3.805 -2.723 1.00 14.00 H new ATOM 0 HB2 LEU A 11 -7.605 -0.912 -3.292 1.00 23.12 H new ATOM 0 HB3 LEU A 11 -7.831 -1.716 -1.751 1.00 23.12 H new ATOM 0 HG LEU A 11 -6.009 -0.188 -1.834 1.00 71.22 H new ATOM 0 HD11 LEU A 11 -4.235 -1.662 -0.770 1.00 13.32 H new ATOM 0 HD12 LEU A 11 -5.881 -1.997 -0.181 1.00 13.32 H new ATOM 0 HD13 LEU A 11 -5.125 -3.080 -1.373 1.00 13.32 H new ATOM 0 HD21 LEU A 11 -3.800 -0.744 -2.843 1.00 34.33 H new ATOM 0 HD22 LEU A 11 -4.590 -2.061 -3.741 1.00 34.33 H new ATOM 0 HD23 LEU A 11 -5.072 -0.372 -4.030 1.00 34.33 H new ATOM 182 N ASN A 12 -9.322 -4.401 -3.001 1.00 21.53 N ATOM 183 CA ASN A 12 -10.736 -4.753 -3.135 1.00 52.24 C ATOM 184 C ASN A 12 -11.611 -3.719 -2.433 1.00 74.23 C ATOM 185 O ASN A 12 -11.150 -3.064 -1.491 1.00 62.24 O ATOM 186 CB ASN A 12 -11.025 -6.162 -2.572 1.00 65.15 C ATOM 187 CG ASN A 12 -11.364 -7.170 -3.669 1.00 1.24 C ATOM 188 OD1 ASN A 12 -11.038 -6.982 -4.835 1.00 73.34 O ATOM 189 ND2 ASN A 12 -12.037 -8.240 -3.312 1.00 1.11 N ATOM 0 H ASN A 12 -8.794 -5.025 -2.391 1.00 21.53 H new ATOM 0 HA ASN A 12 -10.975 -4.760 -4.199 1.00 52.24 H new ATOM 0 HB2 ASN A 12 -10.156 -6.513 -2.016 1.00 65.15 H new ATOM 0 HB3 ASN A 12 -11.854 -6.105 -1.866 1.00 65.15 H new ATOM 0 HD21 ASN A 12 -12.299 -8.935 -4.011 1.00 1.11 H new ATOM 0 HD22 ASN A 12 -12.298 -8.376 -2.335 1.00 1.11 H new ATOM 196 N PRO A 13 -12.892 -3.624 -2.823 1.00 31.54 N ATOM 197 CA PRO A 13 -13.787 -2.562 -2.383 1.00 62.42 C ATOM 198 C PRO A 13 -14.062 -2.620 -0.880 1.00 63.31 C ATOM 199 O PRO A 13 -14.281 -1.572 -0.274 1.00 64.12 O ATOM 200 CB PRO A 13 -15.057 -2.737 -3.223 1.00 63.54 C ATOM 201 CG PRO A 13 -15.049 -4.211 -3.609 1.00 41.32 C ATOM 202 CD PRO A 13 -13.572 -4.524 -3.744 1.00 31.12 C ATOM 0 HA PRO A 13 -13.346 -1.576 -2.532 1.00 62.42 H new ATOM 0 HB2 PRO A 13 -15.950 -2.479 -2.654 1.00 63.54 H new ATOM 0 HB3 PRO A 13 -15.044 -2.095 -4.103 1.00 63.54 H new ATOM 0 HG2 PRO A 13 -15.524 -4.830 -2.847 1.00 41.32 H new ATOM 0 HG3 PRO A 13 -15.585 -4.386 -4.542 1.00 41.32 H new ATOM 0 HD2 PRO A 13 -13.368 -5.566 -3.495 1.00 31.12 H new ATOM 0 HD3 PRO A 13 -13.231 -4.368 -4.767 1.00 31.12 H new ATOM 210 N HIS A 14 -13.982 -3.811 -0.275 1.00 74.25 N ATOM 211 CA HIS A 14 -14.240 -4.043 1.143 1.00 43.34 C ATOM 212 C HIS A 14 -12.983 -4.482 1.896 1.00 22.33 C ATOM 213 O HIS A 14 -13.077 -4.949 3.027 1.00 13.24 O ATOM 214 CB HIS A 14 -15.371 -5.071 1.251 1.00 61.45 C ATOM 215 CG HIS A 14 -16.678 -4.449 0.853 1.00 63.51 C ATOM 216 ND1 HIS A 14 -17.396 -3.583 1.633 1.00 5.24 N ATOM 217 CD2 HIS A 14 -17.310 -4.546 -0.355 1.00 34.11 C ATOM 218 CE1 HIS A 14 -18.428 -3.139 0.909 1.00 22.43 C ATOM 219 NE2 HIS A 14 -18.436 -3.715 -0.308 1.00 14.34 N ATOM 0 H HIS A 14 -13.728 -4.662 -0.777 1.00 74.25 H new ATOM 0 HA HIS A 14 -14.544 -3.111 1.620 1.00 43.34 H new ATOM 0 HB2 HIS A 14 -15.157 -5.926 0.610 1.00 61.45 H new ATOM 0 HB3 HIS A 14 -15.435 -5.446 2.272 1.00 61.45 H new ATOM 0 HD2 HIS A 14 -16.998 -5.153 -1.192 1.00 34.11 H new ATOM 0 HE1 HIS A 14 -19.155 -2.418 1.253 1.00 22.43 H new ATOM 0 HE2 HIS A 14 -19.124 -3.574 -1.047 1.00 14.34 H new ATOM 227 N SER A 15 -11.795 -4.332 1.306 1.00 64.15 N ATOM 228 CA SER A 15 -10.562 -4.781 1.937 1.00 1.24 C ATOM 229 C SER A 15 -10.084 -3.858 3.065 1.00 51.32 C ATOM 230 O SER A 15 -9.277 -4.297 3.884 1.00 45.31 O ATOM 231 CB SER A 15 -9.475 -4.879 0.873 1.00 71.34 C ATOM 232 OG SER A 15 -8.494 -5.808 1.288 1.00 33.44 O ATOM 0 H SER A 15 -11.666 -3.902 0.390 1.00 64.15 H new ATOM 0 HA SER A 15 -10.766 -5.751 2.391 1.00 1.24 H new ATOM 0 HB2 SER A 15 -9.908 -5.191 -0.077 1.00 71.34 H new ATOM 0 HB3 SER A 15 -9.021 -3.902 0.711 1.00 71.34 H new ATOM 0 HG SER A 15 -8.909 -6.687 1.415 1.00 33.44 H new ATOM 238 N THR A 16 -10.487 -2.586 3.027 1.00 5.13 N ATOM 239 CA THR A 16 -9.955 -1.453 3.771 1.00 45.31 C ATOM 240 C THR A 16 -8.415 -1.455 3.756 1.00 25.40 C ATOM 241 O THR A 16 -7.755 -2.029 2.882 1.00 3.12 O ATOM 242 CB THR A 16 -10.716 -1.268 5.118 1.00 32.40 C ATOM 243 OG1 THR A 16 -10.216 -0.232 5.952 1.00 43.03 O ATOM 244 CG2 THR A 16 -10.784 -2.522 5.984 1.00 71.22 C ATOM 0 H THR A 16 -11.259 -2.304 2.423 1.00 5.13 H new ATOM 0 HA THR A 16 -10.165 -0.504 3.277 1.00 45.31 H new ATOM 0 HB THR A 16 -11.709 -1.004 4.756 1.00 32.40 H new ATOM 0 HG1 THR A 16 -10.751 -0.185 6.772 1.00 43.03 H new ATOM 0 HG21 THR A 16 -11.331 -2.302 6.901 1.00 71.22 H new ATOM 0 HG22 THR A 16 -11.296 -3.314 5.438 1.00 71.22 H new ATOM 0 HG23 THR A 16 -9.774 -2.847 6.233 1.00 71.22 H new ATOM 252 N MET A 17 -7.824 -0.676 4.643 1.00 30.14 N ATOM 253 CA MET A 17 -6.458 -0.726 5.098 1.00 5.12 C ATOM 254 C MET A 17 -6.454 -1.623 6.328 1.00 12.04 C ATOM 255 O MET A 17 -5.566 -2.441 6.497 1.00 50.43 O ATOM 256 CB MET A 17 -6.035 0.714 5.429 1.00 61.11 C ATOM 257 CG MET A 17 -6.776 1.346 6.618 1.00 21.25 C ATOM 258 SD MET A 17 -7.073 3.127 6.541 1.00 61.32 S ATOM 259 CE MET A 17 -5.862 3.649 7.772 1.00 55.10 C ATOM 0 H MET A 17 -8.341 0.074 5.101 1.00 30.14 H new ATOM 0 HA MET A 17 -5.760 -1.124 4.361 1.00 5.12 H new ATOM 0 HB2 MET A 17 -4.965 0.725 5.638 1.00 61.11 H new ATOM 0 HB3 MET A 17 -6.193 1.336 4.548 1.00 61.11 H new ATOM 0 HG2 MET A 17 -7.739 0.846 6.723 1.00 21.25 H new ATOM 0 HG3 MET A 17 -6.207 1.136 7.523 1.00 21.25 H new ATOM 0 HE1 MET A 17 -5.630 4.705 7.630 1.00 55.10 H new ATOM 0 HE2 MET A 17 -6.271 3.499 8.771 1.00 55.10 H new ATOM 0 HE3 MET A 17 -4.952 3.060 7.660 1.00 55.10 H new ATOM 269 N ASP A 18 -7.487 -1.522 7.166 1.00 50.33 N ATOM 270 CA ASP A 18 -7.530 -2.037 8.526 1.00 20.52 C ATOM 271 C ASP A 18 -7.618 -3.555 8.573 1.00 34.31 C ATOM 272 O ASP A 18 -7.433 -4.154 9.633 1.00 74.15 O ATOM 273 CB ASP A 18 -8.684 -1.377 9.279 1.00 55.04 C ATOM 274 CG ASP A 18 -8.372 -1.066 10.746 1.00 35.34 C ATOM 275 OD1 ASP A 18 -7.398 -1.575 11.348 1.00 61.35 O ATOM 276 OD2 ASP A 18 -9.083 -0.178 11.265 1.00 54.11 O ATOM 0 H ASP A 18 -8.354 -1.057 6.898 1.00 50.33 H new ATOM 0 HA ASP A 18 -6.591 -1.783 9.018 1.00 20.52 H new ATOM 0 HB2 ASP A 18 -8.954 -0.451 8.771 1.00 55.04 H new ATOM 0 HB3 ASP A 18 -9.555 -2.031 9.234 1.00 55.04 H new ATOM 281 N SER A 19 -7.914 -4.169 7.430 1.00 41.32 N ATOM 282 CA SER A 19 -7.951 -5.609 7.241 1.00 53.31 C ATOM 283 C SER A 19 -6.989 -6.044 6.120 1.00 25.31 C ATOM 284 O SER A 19 -7.080 -7.162 5.608 1.00 41.15 O ATOM 285 CB SER A 19 -9.417 -6.017 7.043 1.00 14.13 C ATOM 286 OG SER A 19 -10.145 -5.710 8.225 1.00 72.21 O ATOM 0 H SER A 19 -8.143 -3.653 6.580 1.00 41.32 H new ATOM 0 HA SER A 19 -7.583 -6.143 8.117 1.00 53.31 H new ATOM 0 HB2 SER A 19 -9.843 -5.489 6.190 1.00 14.13 H new ATOM 0 HB3 SER A 19 -9.485 -7.083 6.824 1.00 14.13 H new ATOM 0 HG SER A 19 -11.084 -5.966 8.107 1.00 72.21 H new ATOM 292 N ILE A 20 -5.966 -5.225 5.844 1.00 31.34 N ATOM 293 CA ILE A 20 -4.740 -5.566 5.132 1.00 63.21 C ATOM 294 C ILE A 20 -3.519 -5.320 6.024 1.00 14.23 C ATOM 295 O ILE A 20 -2.583 -6.111 5.962 1.00 53.01 O ATOM 296 CB ILE A 20 -4.640 -4.746 3.826 1.00 22.31 C ATOM 297 CG1 ILE A 20 -5.878 -4.958 2.934 1.00 72.11 C ATOM 298 CG2 ILE A 20 -3.329 -5.022 3.073 1.00 43.15 C ATOM 299 CD1 ILE A 20 -5.784 -4.135 1.653 1.00 22.44 C ATOM 0 H ILE A 20 -5.979 -4.247 6.132 1.00 31.34 H new ATOM 0 HA ILE A 20 -4.764 -6.625 4.874 1.00 63.21 H new ATOM 0 HB ILE A 20 -4.621 -3.692 4.104 1.00 22.31 H new ATOM 0 HG12 ILE A 20 -5.972 -6.015 2.684 1.00 72.11 H new ATOM 0 HG13 ILE A 20 -6.777 -4.679 3.483 1.00 72.11 H new ATOM 0 HG21 ILE A 20 -3.300 -4.425 2.161 1.00 43.15 H new ATOM 0 HG22 ILE A 20 -2.483 -4.757 3.707 1.00 43.15 H new ATOM 0 HG23 ILE A 20 -3.273 -6.080 2.816 1.00 43.15 H new ATOM 0 HD11 ILE A 20 -6.672 -4.306 1.045 1.00 22.44 H new ATOM 0 HD12 ILE A 20 -5.715 -3.077 1.905 1.00 22.44 H new ATOM 0 HD13 ILE A 20 -4.898 -4.433 1.093 1.00 22.44 H new ATOM 311 N LEU A 21 -3.499 -4.236 6.811 1.00 4.24 N ATOM 312 CA LEU A 21 -2.315 -3.736 7.521 1.00 51.04 C ATOM 313 C LEU A 21 -1.597 -4.834 8.316 1.00 43.13 C ATOM 314 O LEU A 21 -0.369 -4.888 8.319 1.00 45.22 O ATOM 315 CB LEU A 21 -2.702 -2.565 8.459 1.00 50.01 C ATOM 316 CG LEU A 21 -2.217 -1.155 8.083 1.00 2.41 C ATOM 317 CD1 LEU A 21 -0.706 -1.104 7.832 1.00 15.21 C ATOM 318 CD2 LEU A 21 -2.978 -0.570 6.902 1.00 21.14 C ATOM 0 H LEU A 21 -4.329 -3.667 6.976 1.00 4.24 H new ATOM 0 HA LEU A 21 -1.618 -3.380 6.762 1.00 51.04 H new ATOM 0 HB2 LEU A 21 -3.789 -2.538 8.529 1.00 50.01 H new ATOM 0 HB3 LEU A 21 -2.324 -2.795 9.455 1.00 50.01 H new ATOM 0 HG LEU A 21 -2.430 -0.531 8.951 1.00 2.41 H new ATOM 0 HD11 LEU A 21 -0.415 -0.087 7.570 1.00 15.21 H new ATOM 0 HD12 LEU A 21 -0.177 -1.412 8.734 1.00 15.21 H new ATOM 0 HD13 LEU A 21 -0.450 -1.777 7.013 1.00 15.21 H new ATOM 0 HD21 LEU A 21 -2.595 0.426 6.680 1.00 21.14 H new ATOM 0 HD22 LEU A 21 -2.847 -1.212 6.031 1.00 21.14 H new ATOM 0 HD23 LEU A 21 -4.038 -0.504 7.148 1.00 21.14 H new ATOM 330 N GLY A 22 -2.347 -5.715 8.980 1.00 71.43 N ATOM 331 CA GLY A 22 -1.784 -6.787 9.789 1.00 25.42 C ATOM 332 C GLY A 22 -1.275 -7.983 8.980 1.00 31.11 C ATOM 333 O GLY A 22 -0.491 -8.772 9.512 1.00 31.11 O ATOM 0 H GLY A 22 -3.367 -5.701 8.969 1.00 71.43 H new ATOM 0 HA2 GLY A 22 -0.961 -6.386 10.381 1.00 25.42 H new ATOM 0 HA3 GLY A 22 -2.542 -7.134 10.491 1.00 25.42 H new ATOM 337 N ALA A 23 -1.699 -8.141 7.720 1.00 24.22 N ATOM 338 CA ALA A 23 -1.377 -9.288 6.871 1.00 51.32 C ATOM 339 C ALA A 23 -0.644 -8.893 5.596 1.00 50.33 C ATOM 340 O ALA A 23 -0.411 -9.741 4.734 1.00 61.42 O ATOM 341 CB ALA A 23 -2.669 -10.009 6.497 1.00 61.52 C ATOM 0 H ALA A 23 -2.291 -7.454 7.253 1.00 24.22 H new ATOM 0 HA ALA A 23 -0.712 -9.937 7.441 1.00 51.32 H new ATOM 0 HB1 ALA A 23 -2.438 -10.866 5.864 1.00 61.52 H new ATOM 0 HB2 ALA A 23 -3.170 -10.352 7.403 1.00 61.52 H new ATOM 0 HB3 ALA A 23 -3.324 -9.325 5.957 1.00 61.52 H new ATOM 347 N LEU A 24 -0.151 -7.662 5.522 1.00 54.01 N ATOM 348 CA LEU A 24 0.748 -7.203 4.481 1.00 74.41 C ATOM 349 C LEU A 24 1.999 -6.590 5.130 1.00 22.21 C ATOM 350 O LEU A 24 2.500 -5.555 4.687 1.00 61.31 O ATOM 351 CB LEU A 24 -0.028 -6.271 3.530 1.00 74.53 C ATOM 352 CG LEU A 24 0.403 -6.401 2.058 1.00 34.34 C ATOM 353 CD1 LEU A 24 -0.569 -5.658 1.132 1.00 4.23 C ATOM 354 CD2 LEU A 24 1.817 -5.912 1.758 1.00 22.50 C ATOM 0 H LEU A 24 -0.375 -6.939 6.206 1.00 54.01 H new ATOM 0 HA LEU A 24 1.116 -8.019 3.859 1.00 74.41 H new ATOM 0 HB2 LEU A 24 -1.093 -6.489 3.609 1.00 74.53 H new ATOM 0 HB3 LEU A 24 0.111 -5.239 3.852 1.00 74.53 H new ATOM 0 HG LEU A 24 0.387 -7.474 1.869 1.00 34.34 H new ATOM 0 HD11 LEU A 24 -0.241 -5.766 0.098 1.00 4.23 H new ATOM 0 HD12 LEU A 24 -1.569 -6.078 1.241 1.00 4.23 H new ATOM 0 HD13 LEU A 24 -0.589 -4.601 1.398 1.00 4.23 H new ATOM 0 HD21 LEU A 24 2.030 -6.044 0.697 1.00 22.50 H new ATOM 0 HD22 LEU A 24 1.899 -4.856 2.016 1.00 22.50 H new ATOM 0 HD23 LEU A 24 2.533 -6.486 2.346 1.00 22.50 H new ATOM 366 N ALA A 25 2.490 -7.205 6.214 1.00 70.11 N ATOM 367 CA ALA A 25 3.632 -6.717 6.987 1.00 61.22 C ATOM 368 C ALA A 25 4.704 -7.795 7.282 1.00 24.42 C ATOM 369 O ALA A 25 5.099 -7.961 8.439 1.00 10.14 O ATOM 370 CB ALA A 25 3.063 -6.103 8.266 1.00 31.22 C ATOM 0 H ALA A 25 2.095 -8.071 6.582 1.00 70.11 H new ATOM 0 HA ALA A 25 4.175 -5.977 6.399 1.00 61.22 H new ATOM 0 HB1 ALA A 25 3.879 -5.722 8.881 1.00 31.22 H new ATOM 0 HB2 ALA A 25 2.390 -5.285 8.009 1.00 31.22 H new ATOM 0 HB3 ALA A 25 2.514 -6.863 8.822 1.00 31.22 H new ATOM 376 N PRO A 26 5.249 -8.500 6.271 1.00 34.52 N ATOM 377 CA PRO A 26 6.312 -9.486 6.466 1.00 3.23 C ATOM 378 C PRO A 26 7.722 -8.888 6.616 1.00 13.40 C ATOM 379 O PRO A 26 8.614 -9.568 7.129 1.00 5.22 O ATOM 380 CB PRO A 26 6.262 -10.367 5.216 1.00 52.25 C ATOM 381 CG PRO A 26 5.747 -9.420 4.131 1.00 3.44 C ATOM 382 CD PRO A 26 4.777 -8.533 4.898 1.00 45.13 C ATOM 0 HA PRO A 26 6.140 -10.020 7.401 1.00 3.23 H new ATOM 0 HB2 PRO A 26 7.245 -10.766 4.967 1.00 52.25 H new ATOM 0 HB3 PRO A 26 5.597 -11.220 5.353 1.00 52.25 H new ATOM 0 HG2 PRO A 26 6.554 -8.843 3.680 1.00 3.44 H new ATOM 0 HG3 PRO A 26 5.251 -9.959 3.324 1.00 3.44 H new ATOM 0 HD2 PRO A 26 4.749 -7.530 4.473 1.00 45.13 H new ATOM 0 HD3 PRO A 26 3.763 -8.930 4.845 1.00 45.13 H new ATOM 390 N TYR A 27 7.957 -7.658 6.136 1.00 32.12 N ATOM 391 CA TYR A 27 9.298 -7.058 6.071 1.00 53.31 C ATOM 392 C TYR A 27 9.331 -5.622 6.617 1.00 71.53 C ATOM 393 O TYR A 27 10.386 -5.143 7.026 1.00 2.23 O ATOM 394 CB TYR A 27 9.808 -7.041 4.617 1.00 21.51 C ATOM 395 CG TYR A 27 9.589 -8.272 3.758 1.00 63.20 C ATOM 396 CD1 TYR A 27 8.755 -8.175 2.630 1.00 65.44 C ATOM 397 CD2 TYR A 27 10.238 -9.488 4.038 1.00 51.21 C ATOM 398 CE1 TYR A 27 8.547 -9.287 1.800 1.00 14.33 C ATOM 399 CE2 TYR A 27 10.038 -10.607 3.211 1.00 61.45 C ATOM 400 CZ TYR A 27 9.190 -10.506 2.086 1.00 43.31 C ATOM 401 OH TYR A 27 8.950 -11.582 1.295 1.00 11.30 O ATOM 0 H TYR A 27 7.220 -7.049 5.781 1.00 32.12 H new ATOM 0 HA TYR A 27 9.942 -7.676 6.697 1.00 53.31 H new ATOM 0 HB2 TYR A 27 9.340 -6.197 4.111 1.00 21.51 H new ATOM 0 HB3 TYR A 27 10.879 -6.842 4.644 1.00 21.51 H new ATOM 0 HD1 TYR A 27 8.271 -7.237 2.401 1.00 65.44 H new ATOM 0 HD2 TYR A 27 10.894 -9.562 4.893 1.00 51.21 H new ATOM 0 HE1 TYR A 27 7.895 -9.208 0.943 1.00 14.33 H new ATOM 0 HE2 TYR A 27 10.531 -11.541 3.435 1.00 61.45 H new ATOM 0 HH TYR A 27 9.468 -12.348 1.619 1.00 11.30 H new ATOM 411 N ALA A 28 8.193 -4.922 6.592 1.00 62.44 N ATOM 412 CA ALA A 28 8.003 -3.566 7.084 1.00 51.10 C ATOM 413 C ALA A 28 6.687 -3.603 7.839 1.00 54.14 C ATOM 414 O ALA A 28 5.670 -4.022 7.276 1.00 5.03 O ATOM 415 CB ALA A 28 7.944 -2.565 5.919 1.00 2.15 C ATOM 0 H ALA A 28 7.335 -5.314 6.205 1.00 62.44 H new ATOM 0 HA ALA A 28 8.827 -3.242 7.720 1.00 51.10 H new ATOM 0 HB1 ALA A 28 7.801 -1.558 6.311 1.00 2.15 H new ATOM 0 HB2 ALA A 28 8.876 -2.606 5.356 1.00 2.15 H new ATOM 0 HB3 ALA A 28 7.112 -2.820 5.262 1.00 2.15 H new ATOM 421 N VAL A 29 6.702 -3.221 9.110 1.00 3.02 N ATOM 422 CA VAL A 29 5.574 -3.410 10.003 1.00 53.12 C ATOM 423 C VAL A 29 4.783 -2.106 10.028 1.00 63.10 C ATOM 424 O VAL A 29 4.806 -1.353 11.003 1.00 41.03 O ATOM 425 CB VAL A 29 6.042 -3.985 11.353 1.00 31.54 C ATOM 426 CG1 VAL A 29 4.829 -4.419 12.184 1.00 32.12 C ATOM 427 CG2 VAL A 29 6.915 -5.232 11.130 1.00 25.21 C ATOM 0 H VAL A 29 7.504 -2.769 9.549 1.00 3.02 H new ATOM 0 HA VAL A 29 4.874 -4.171 9.658 1.00 53.12 H new ATOM 0 HB VAL A 29 6.609 -3.210 11.869 1.00 31.54 H new ATOM 0 HG11 VAL A 29 5.167 -4.825 13.137 1.00 32.12 H new ATOM 0 HG12 VAL A 29 4.185 -3.559 12.364 1.00 32.12 H new ATOM 0 HG13 VAL A 29 4.271 -5.183 11.642 1.00 32.12 H new ATOM 0 HG21 VAL A 29 7.238 -5.627 12.093 1.00 25.21 H new ATOM 0 HG22 VAL A 29 6.337 -5.991 10.602 1.00 25.21 H new ATOM 0 HG23 VAL A 29 7.789 -4.963 10.537 1.00 25.21 H new ATOM 437 N LEU A 30 4.114 -1.868 8.896 1.00 72.33 N ATOM 438 CA LEU A 30 3.416 -0.639 8.532 1.00 72.42 C ATOM 439 C LEU A 30 2.385 -0.239 9.581 1.00 31.45 C ATOM 440 O LEU A 30 1.837 -1.106 10.268 1.00 75.31 O ATOM 441 CB LEU A 30 2.651 -0.844 7.213 1.00 65.10 C ATOM 442 CG LEU A 30 3.458 -1.266 5.977 1.00 1.34 C ATOM 443 CD1 LEU A 30 2.483 -1.360 4.799 1.00 12.24 C ATOM 444 CD2 LEU A 30 4.575 -0.269 5.656 1.00 61.52 C ATOM 0 H LEU A 30 4.043 -2.576 8.165 1.00 72.33 H new ATOM 0 HA LEU A 30 4.175 0.139 8.444 1.00 72.42 H new ATOM 0 HB2 LEU A 30 1.883 -1.598 7.385 1.00 65.10 H new ATOM 0 HB3 LEU A 30 2.137 0.087 6.976 1.00 65.10 H new ATOM 0 HG LEU A 30 3.938 -2.225 6.169 1.00 1.34 H new ATOM 0 HD11 LEU A 30 3.025 -1.659 3.901 1.00 12.24 H new ATOM 0 HD12 LEU A 30 1.714 -2.099 5.022 1.00 12.24 H new ATOM 0 HD13 LEU A 30 2.016 -0.389 4.635 1.00 12.24 H new ATOM 0 HD21 LEU A 30 5.121 -0.606 4.775 1.00 61.52 H new ATOM 0 HD22 LEU A 30 4.142 0.712 5.462 1.00 61.52 H new ATOM 0 HD23 LEU A 30 5.258 -0.203 6.503 1.00 61.52 H new ATOM 456 N SER A 31 2.000 1.038 9.601 1.00 52.14 N ATOM 457 CA SER A 31 0.891 1.525 10.404 1.00 71.32 C ATOM 458 C SER A 31 -0.211 2.130 9.535 1.00 24.52 C ATOM 459 O SER A 31 -0.001 2.537 8.388 1.00 35.24 O ATOM 460 CB SER A 31 1.430 2.528 11.421 1.00 12.01 C ATOM 461 OG SER A 31 0.452 2.857 12.386 1.00 20.53 O ATOM 0 H SER A 31 2.458 1.766 9.053 1.00 52.14 H new ATOM 0 HA SER A 31 0.431 0.690 10.933 1.00 71.32 H new ATOM 0 HB2 SER A 31 2.307 2.111 11.916 1.00 12.01 H new ATOM 0 HB3 SER A 31 1.755 3.432 10.906 1.00 12.01 H new ATOM 0 HG SER A 31 0.826 3.500 13.025 1.00 20.53 H new ATOM 467 N SER A 32 -1.388 2.244 10.148 1.00 40.12 N ATOM 468 CA SER A 32 -2.594 2.895 9.662 1.00 35.54 C ATOM 469 C SER A 32 -2.335 4.335 9.189 1.00 22.52 C ATOM 470 O SER A 32 -3.125 4.878 8.418 1.00 44.14 O ATOM 471 CB SER A 32 -3.646 2.879 10.785 1.00 75.40 C ATOM 472 OG SER A 32 -3.744 1.610 11.428 1.00 31.31 O ATOM 0 H SER A 32 -1.530 1.848 11.077 1.00 40.12 H new ATOM 0 HA SER A 32 -2.955 2.345 8.793 1.00 35.54 H new ATOM 0 HB2 SER A 32 -3.393 3.638 11.525 1.00 75.40 H new ATOM 0 HB3 SER A 32 -4.618 3.148 10.371 1.00 75.40 H new ATOM 0 HG SER A 32 -4.423 1.652 12.133 1.00 31.31 H new ATOM 478 N SER A 33 -1.283 4.981 9.689 1.00 12.24 N ATOM 479 CA SER A 33 -0.845 6.304 9.282 1.00 55.20 C ATOM 480 C SER A 33 -0.095 6.258 7.948 1.00 20.44 C ATOM 481 O SER A 33 -0.448 6.993 7.025 1.00 31.21 O ATOM 482 CB SER A 33 0.032 6.887 10.391 1.00 20.13 C ATOM 483 OG SER A 33 0.884 5.899 10.949 1.00 72.41 O ATOM 0 H SER A 33 -0.693 4.577 10.417 1.00 12.24 H new ATOM 0 HA SER A 33 -1.714 6.943 9.129 1.00 55.20 H new ATOM 0 HB2 SER A 33 0.633 7.704 9.991 1.00 20.13 H new ATOM 0 HB3 SER A 33 -0.600 7.309 11.173 1.00 20.13 H new ATOM 0 HG SER A 33 1.433 6.301 11.654 1.00 72.41 H new ATOM 489 N ASN A 34 0.942 5.416 7.845 1.00 74.14 N ATOM 490 CA ASN A 34 1.823 5.302 6.683 1.00 4.12 C ATOM 491 C ASN A 34 1.034 5.022 5.426 1.00 35.41 C ATOM 492 O ASN A 34 1.341 5.555 4.362 1.00 24.33 O ATOM 493 CB ASN A 34 2.819 4.146 6.852 1.00 4.31 C ATOM 494 CG ASN A 34 3.719 4.364 8.043 1.00 15.43 C ATOM 495 OD1 ASN A 34 3.376 3.930 9.133 1.00 4.14 O ATOM 496 ND2 ASN A 34 4.821 5.065 7.856 1.00 61.52 N ATOM 0 H ASN A 34 1.196 4.775 8.596 1.00 74.14 H new ATOM 0 HA ASN A 34 2.349 6.253 6.603 1.00 4.12 H new ATOM 0 HB2 ASN A 34 2.275 3.209 6.972 1.00 4.31 H new ATOM 0 HB3 ASN A 34 3.423 4.050 5.950 1.00 4.31 H new ATOM 0 HD21 ASN A 34 5.435 5.269 8.644 1.00 61.52 H new ATOM 0 HD22 ASN A 34 5.059 5.403 6.923 1.00 61.52 H new ATOM 503 N VAL A 35 0.058 4.129 5.553 1.00 60.31 N ATOM 504 CA VAL A 35 -0.834 3.749 4.486 1.00 32.13 C ATOM 505 C VAL A 35 -1.914 4.833 4.415 1.00 62.10 C ATOM 506 O VAL A 35 -2.729 4.965 5.329 1.00 54.12 O ATOM 507 CB VAL A 35 -1.379 2.331 4.759 1.00 20.54 C ATOM 508 CG1 VAL A 35 -2.089 1.781 3.515 1.00 62.14 C ATOM 509 CG2 VAL A 35 -0.263 1.334 5.124 1.00 0.13 C ATOM 0 H VAL A 35 -0.132 3.642 6.429 1.00 60.31 H new ATOM 0 HA VAL A 35 -0.344 3.690 3.514 1.00 32.13 H new ATOM 0 HB VAL A 35 -2.067 2.428 5.599 1.00 20.54 H new ATOM 0 HG11 VAL A 35 -2.467 0.780 3.725 1.00 62.14 H new ATOM 0 HG12 VAL A 35 -2.920 2.435 3.251 1.00 62.14 H new ATOM 0 HG13 VAL A 35 -1.385 1.736 2.684 1.00 62.14 H new ATOM 0 HG21 VAL A 35 -0.698 0.351 5.307 1.00 0.13 H new ATOM 0 HG22 VAL A 35 0.449 1.268 4.302 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.251 1.676 6.023 1.00 0.13 H new ATOM 519 N ARG A 36 -1.938 5.611 3.334 1.00 55.22 N ATOM 520 CA ARG A 36 -3.065 6.447 2.929 1.00 74.52 C ATOM 521 C ARG A 36 -3.940 5.634 1.976 1.00 61.12 C ATOM 522 O ARG A 36 -3.447 5.146 0.957 1.00 61.34 O ATOM 523 CB ARG A 36 -2.557 7.730 2.238 1.00 43.44 C ATOM 524 CG ARG A 36 -2.609 8.985 3.123 1.00 12.11 C ATOM 525 CD ARG A 36 -4.045 9.472 3.359 1.00 20.25 C ATOM 526 NE ARG A 36 -4.107 10.928 3.572 1.00 23.24 N ATOM 527 CZ ARG A 36 -4.039 11.592 4.733 1.00 0.22 C ATOM 528 NH1 ARG A 36 -3.715 11.000 5.878 1.00 51.02 N ATOM 529 NH2 ARG A 36 -4.284 12.894 4.745 1.00 4.31 N ATOM 0 H ARG A 36 -1.146 5.678 2.695 1.00 55.22 H new ATOM 0 HA ARG A 36 -3.645 6.747 3.802 1.00 74.52 H new ATOM 0 HB2 ARG A 36 -1.529 7.571 1.912 1.00 43.44 H new ATOM 0 HB3 ARG A 36 -3.152 7.906 1.342 1.00 43.44 H new ATOM 0 HG2 ARG A 36 -2.138 8.770 4.082 1.00 12.11 H new ATOM 0 HG3 ARG A 36 -2.030 9.781 2.655 1.00 12.11 H new ATOM 0 HD2 ARG A 36 -4.664 9.204 2.502 1.00 20.25 H new ATOM 0 HD3 ARG A 36 -4.463 8.961 4.226 1.00 20.25 H new ATOM 0 HE ARG A 36 -4.215 11.500 2.734 1.00 23.24 H new ATOM 0 HH11 ARG A 36 -3.506 10.002 5.895 1.00 51.02 H new ATOM 0 HH12 ARG A 36 -3.675 11.544 6.740 1.00 51.02 H new ATOM 0 HH21 ARG A 36 -4.520 13.376 3.878 1.00 4.31 H new ATOM 0 HH22 ARG A 36 -4.236 13.414 5.621 1.00 4.31 H new ATOM 543 N VAL A 37 -5.234 5.539 2.263 1.00 44.32 N ATOM 544 CA VAL A 37 -6.280 4.981 1.414 1.00 15.23 C ATOM 545 C VAL A 37 -7.406 5.995 1.340 1.00 3.25 C ATOM 546 O VAL A 37 -8.062 6.304 2.337 1.00 20.23 O ATOM 547 CB VAL A 37 -6.747 3.599 1.908 1.00 61.41 C ATOM 548 CG1 VAL A 37 -7.808 2.960 0.997 1.00 10.11 C ATOM 549 CG2 VAL A 37 -5.605 2.578 1.849 1.00 24.43 C ATOM 0 H VAL A 37 -5.604 5.872 3.153 1.00 44.32 H new ATOM 0 HA VAL A 37 -5.895 4.800 0.411 1.00 15.23 H new ATOM 0 HB VAL A 37 -7.125 3.793 2.912 1.00 61.41 H new ATOM 0 HG11 VAL A 37 -8.095 1.989 1.399 1.00 10.11 H new ATOM 0 HG12 VAL A 37 -8.684 3.607 0.950 1.00 10.11 H new ATOM 0 HG13 VAL A 37 -7.398 2.831 -0.005 1.00 10.11 H new ATOM 0 HG21 VAL A 37 -5.963 1.611 2.203 1.00 24.43 H new ATOM 0 HG22 VAL A 37 -5.256 2.481 0.821 1.00 24.43 H new ATOM 0 HG23 VAL A 37 -4.783 2.915 2.481 1.00 24.43 H new ATOM 559 N ILE A 38 -7.609 6.547 0.151 1.00 62.33 N ATOM 560 CA ILE A 38 -8.732 7.407 -0.164 1.00 33.55 C ATOM 561 C ILE A 38 -9.969 6.506 -0.125 1.00 71.12 C ATOM 562 O ILE A 38 -10.165 5.671 -1.016 1.00 24.23 O ATOM 563 CB ILE A 38 -8.511 8.117 -1.521 1.00 1.45 C ATOM 564 CG1 ILE A 38 -7.133 8.826 -1.537 1.00 4.13 C ATOM 565 CG2 ILE A 38 -9.660 9.113 -1.757 1.00 61.11 C ATOM 566 CD1 ILE A 38 -6.880 9.733 -2.742 1.00 64.13 C ATOM 0 H ILE A 38 -6.979 6.403 -0.638 1.00 62.33 H new ATOM 0 HA ILE A 38 -8.856 8.221 0.550 1.00 33.55 H new ATOM 0 HB ILE A 38 -8.511 7.385 -2.329 1.00 1.45 H new ATOM 0 HG12 ILE A 38 -7.038 9.421 -0.629 1.00 4.13 H new ATOM 0 HG13 ILE A 38 -6.352 8.067 -1.504 1.00 4.13 H new ATOM 0 HG21 ILE A 38 -9.513 9.619 -2.711 1.00 61.11 H new ATOM 0 HG22 ILE A 38 -10.609 8.577 -1.773 1.00 61.11 H new ATOM 0 HG23 ILE A 38 -9.673 9.850 -0.954 1.00 61.11 H new ATOM 0 HD11 ILE A 38 -5.890 10.181 -2.659 1.00 64.13 H new ATOM 0 HD12 ILE A 38 -6.936 9.145 -3.658 1.00 64.13 H new ATOM 0 HD13 ILE A 38 -7.633 10.520 -2.769 1.00 64.13 H new ATOM 578 N LYS A 39 -10.767 6.616 0.941 1.00 20.43 N ATOM 579 CA LYS A 39 -12.087 6.002 0.982 1.00 0.12 C ATOM 580 C LYS A 39 -13.058 6.978 0.335 1.00 13.45 C ATOM 581 O LYS A 39 -13.015 8.173 0.643 1.00 61.40 O ATOM 582 CB LYS A 39 -12.516 5.641 2.410 1.00 43.21 C ATOM 583 CG LYS A 39 -11.606 4.573 3.050 1.00 44.12 C ATOM 584 CD LYS A 39 -11.779 4.540 4.574 1.00 51.23 C ATOM 585 CE LYS A 39 -11.210 3.253 5.184 1.00 42.13 C ATOM 586 NZ LYS A 39 -11.542 3.100 6.615 1.00 35.10 N ATOM 0 H LYS A 39 -10.516 7.127 1.787 1.00 20.43 H new ATOM 0 HA LYS A 39 -12.074 5.058 0.438 1.00 0.12 H new ATOM 0 HB2 LYS A 39 -12.505 6.540 3.027 1.00 43.21 H new ATOM 0 HB3 LYS A 39 -13.543 5.277 2.396 1.00 43.21 H new ATOM 0 HG2 LYS A 39 -11.841 3.594 2.633 1.00 44.12 H new ATOM 0 HG3 LYS A 39 -10.565 4.783 2.804 1.00 44.12 H new ATOM 0 HD2 LYS A 39 -11.280 5.403 5.015 1.00 51.23 H new ATOM 0 HD3 LYS A 39 -12.837 4.623 4.822 1.00 51.23 H new ATOM 0 HE2 LYS A 39 -11.595 2.395 4.633 1.00 42.13 H new ATOM 0 HE3 LYS A 39 -10.127 3.249 5.065 1.00 42.13 H new ATOM 0 HZ1 LYS A 39 -11.132 2.214 6.974 1.00 35.10 H new ATOM 0 HZ2 LYS A 39 -11.153 3.903 7.149 1.00 35.10 H new ATOM 0 HZ3 LYS A 39 -12.575 3.075 6.731 1.00 35.10 H new ATOM 600 N ASP A 40 -13.909 6.501 -0.565 1.00 50.30 N ATOM 601 CA ASP A 40 -14.905 7.332 -1.224 1.00 33.15 C ATOM 602 C ASP A 40 -15.933 7.842 -0.210 1.00 21.25 C ATOM 603 O ASP A 40 -16.396 7.071 0.643 1.00 54.43 O ATOM 604 CB ASP A 40 -15.627 6.475 -2.250 1.00 74.21 C ATOM 605 CG ASP A 40 -16.450 7.345 -3.177 1.00 22.44 C ATOM 606 OD1 ASP A 40 -17.629 7.565 -2.840 1.00 65.35 O ATOM 607 OD2 ASP A 40 -15.908 7.780 -4.216 1.00 10.14 O ATOM 0 H ASP A 40 -13.927 5.524 -0.858 1.00 50.30 H new ATOM 0 HA ASP A 40 -14.414 8.185 -1.692 1.00 33.15 H new ATOM 0 HB2 ASP A 40 -14.903 5.900 -2.827 1.00 74.21 H new ATOM 0 HB3 ASP A 40 -16.273 5.758 -1.744 1.00 74.21 H new ATOM 612 N LYS A 41 -16.325 9.116 -0.279 1.00 43.02 N ATOM 613 CA LYS A 41 -17.346 9.674 0.612 1.00 22.41 C ATOM 614 C LYS A 41 -18.719 9.064 0.409 1.00 23.51 C ATOM 615 O LYS A 41 -19.479 8.974 1.373 1.00 42.25 O ATOM 616 CB LYS A 41 -17.431 11.205 0.478 1.00 62.11 C ATOM 617 CG LYS A 41 -16.661 11.878 1.620 1.00 11.42 C ATOM 618 CD LYS A 41 -16.810 13.404 1.600 1.00 11.23 C ATOM 619 CE LYS A 41 -16.446 13.966 2.978 1.00 62.23 C ATOM 620 NZ LYS A 41 -16.575 15.433 3.026 1.00 34.22 N ATOM 0 H LYS A 41 -15.947 9.786 -0.949 1.00 43.02 H new ATOM 0 HA LYS A 41 -17.024 9.416 1.621 1.00 22.41 H new ATOM 0 HB2 LYS A 41 -17.019 11.517 -0.482 1.00 62.11 H new ATOM 0 HB3 LYS A 41 -18.474 11.522 0.496 1.00 62.11 H new ATOM 0 HG2 LYS A 41 -17.020 11.492 2.574 1.00 11.42 H new ATOM 0 HG3 LYS A 41 -15.605 11.617 1.547 1.00 11.42 H new ATOM 0 HD2 LYS A 41 -16.162 13.834 0.836 1.00 11.23 H new ATOM 0 HD3 LYS A 41 -17.833 13.678 1.341 1.00 11.23 H new ATOM 0 HE2 LYS A 41 -17.092 13.520 3.734 1.00 62.23 H new ATOM 0 HE3 LYS A 41 -15.423 13.683 3.226 1.00 62.23 H new ATOM 0 HZ1 LYS A 41 -16.320 15.773 3.975 1.00 34.22 H new ATOM 0 HZ2 LYS A 41 -15.940 15.861 2.322 1.00 34.22 H new ATOM 0 HZ3 LYS A 41 -17.557 15.702 2.814 1.00 34.22 H new ATOM 634 N GLN A 42 -19.059 8.659 -0.804 1.00 60.24 N ATOM 635 CA GLN A 42 -20.403 8.226 -1.132 1.00 53.43 C ATOM 636 C GLN A 42 -20.520 6.747 -0.811 1.00 2.32 C ATOM 637 O GLN A 42 -21.367 6.380 -0.002 1.00 54.02 O ATOM 638 CB GLN A 42 -20.785 8.600 -2.559 1.00 52.45 C ATOM 639 CG GLN A 42 -20.551 10.100 -2.796 1.00 42.34 C ATOM 640 CD GLN A 42 -21.048 10.586 -4.149 1.00 12.44 C ATOM 641 OE1 GLN A 42 -20.276 10.748 -5.087 1.00 63.42 O ATOM 642 NE2 GLN A 42 -22.305 10.968 -4.240 1.00 3.22 N ATOM 0 H GLN A 42 -18.408 8.622 -1.588 1.00 60.24 H new ATOM 0 HA GLN A 42 -21.137 8.753 -0.522 1.00 53.43 H new ATOM 0 HB2 GLN A 42 -20.195 8.016 -3.266 1.00 52.45 H new ATOM 0 HB3 GLN A 42 -21.832 8.355 -2.739 1.00 52.45 H new ATOM 0 HG2 GLN A 42 -21.050 10.666 -2.010 1.00 42.34 H new ATOM 0 HG3 GLN A 42 -19.485 10.311 -2.712 1.00 42.34 H new ATOM 0 HE21 GLN A 42 -22.939 10.828 -3.453 1.00 3.22 H new ATOM 0 HE22 GLN A 42 -22.645 11.404 -5.097 1.00 3.22 H new ATOM 651 N THR A 43 -19.640 5.913 -1.364 1.00 74.54 N ATOM 652 CA THR A 43 -19.849 4.465 -1.306 1.00 23.52 C ATOM 653 C THR A 43 -19.211 3.871 -0.046 1.00 12.11 C ATOM 654 O THR A 43 -19.463 2.707 0.258 1.00 24.44 O ATOM 655 CB THR A 43 -19.371 3.785 -2.601 1.00 45.03 C ATOM 656 OG1 THR A 43 -19.685 2.414 -2.686 1.00 62.44 O ATOM 657 CG2 THR A 43 -17.913 4.057 -2.976 1.00 10.42 C ATOM 0 H THR A 43 -18.791 6.206 -1.848 1.00 74.54 H new ATOM 0 HA THR A 43 -20.919 4.269 -1.234 1.00 23.52 H new ATOM 0 HB THR A 43 -19.967 4.287 -3.363 1.00 45.03 H new ATOM 0 HG1 THR A 43 -19.769 2.041 -1.784 1.00 62.44 H new ATOM 0 HG21 THR A 43 -17.672 3.535 -3.902 1.00 10.42 H new ATOM 0 HG22 THR A 43 -17.767 5.128 -3.115 1.00 10.42 H new ATOM 0 HG23 THR A 43 -17.260 3.702 -2.179 1.00 10.42 H new ATOM 665 N GLN A 44 -18.339 4.608 0.660 1.00 62.23 N ATOM 666 CA GLN A 44 -17.518 4.106 1.765 1.00 72.34 C ATOM 667 C GLN A 44 -16.379 3.189 1.285 1.00 30.34 C ATOM 668 O GLN A 44 -15.526 2.854 2.115 1.00 33.24 O ATOM 669 CB GLN A 44 -18.346 3.436 2.894 1.00 23.30 C ATOM 670 CG GLN A 44 -19.465 4.287 3.521 1.00 24.14 C ATOM 671 CD GLN A 44 -18.936 5.294 4.542 1.00 63.15 C ATOM 672 OE1 GLN A 44 -18.243 4.925 5.492 1.00 61.33 O ATOM 673 NE2 GLN A 44 -19.237 6.570 4.371 1.00 55.45 N ATOM 0 H GLN A 44 -18.184 5.598 0.470 1.00 62.23 H new ATOM 0 HA GLN A 44 -17.060 4.993 2.203 1.00 72.34 H new ATOM 0 HB2 GLN A 44 -18.793 2.525 2.495 1.00 23.30 H new ATOM 0 HB3 GLN A 44 -17.661 3.135 3.687 1.00 23.30 H new ATOM 0 HG2 GLN A 44 -19.996 4.820 2.732 1.00 24.14 H new ATOM 0 HG3 GLN A 44 -20.188 3.630 4.005 1.00 24.14 H new ATOM 0 HE21 GLN A 44 -19.812 6.857 3.579 1.00 55.45 H new ATOM 0 HE22 GLN A 44 -18.894 7.268 5.031 1.00 55.45 H new ATOM 682 N LEU A 45 -16.374 2.717 0.027 1.00 74.45 N ATOM 683 CA LEU A 45 -15.292 1.854 -0.484 1.00 25.40 C ATOM 684 C LEU A 45 -13.962 2.608 -0.548 1.00 44.03 C ATOM 685 O LEU A 45 -13.921 3.806 -0.313 1.00 13.40 O ATOM 686 CB LEU A 45 -15.581 1.340 -1.902 1.00 14.02 C ATOM 687 CG LEU A 45 -17.005 0.848 -2.137 1.00 33.53 C ATOM 688 CD1 LEU A 45 -17.127 0.465 -3.609 1.00 1.11 C ATOM 689 CD2 LEU A 45 -17.416 -0.291 -1.203 1.00 13.33 C ATOM 0 H LEU A 45 -17.105 2.917 -0.655 1.00 74.45 H new ATOM 0 HA LEU A 45 -15.233 1.018 0.213 1.00 25.40 H new ATOM 0 HB2 LEU A 45 -15.368 2.140 -2.611 1.00 14.02 H new ATOM 0 HB3 LEU A 45 -14.891 0.526 -2.124 1.00 14.02 H new ATOM 0 HG LEU A 45 -17.703 1.651 -1.899 1.00 33.53 H new ATOM 0 HD11 LEU A 45 -18.137 0.108 -3.810 1.00 1.11 H new ATOM 0 HD12 LEU A 45 -16.920 1.337 -4.230 1.00 1.11 H new ATOM 0 HD13 LEU A 45 -16.411 -0.324 -3.840 1.00 1.11 H new ATOM 0 HD21 LEU A 45 -18.440 -0.592 -1.425 1.00 13.33 H new ATOM 0 HD22 LEU A 45 -16.748 -1.140 -1.349 1.00 13.33 H new ATOM 0 HD23 LEU A 45 -17.353 0.046 -0.168 1.00 13.33 H new ATOM 701 N ASN A 46 -12.887 1.938 -0.959 1.00 45.02 N ATOM 702 CA ASN A 46 -11.613 2.550 -1.347 1.00 53.32 C ATOM 703 C ASN A 46 -11.646 2.902 -2.838 1.00 23.53 C ATOM 704 O ASN A 46 -12.577 2.532 -3.557 1.00 30.11 O ATOM 705 CB ASN A 46 -10.414 1.618 -1.088 1.00 12.43 C ATOM 706 CG ASN A 46 -10.521 0.780 0.152 1.00 25.53 C ATOM 707 OD1 ASN A 46 -10.536 1.297 1.266 1.00 53.15 O ATOM 708 ND2 ASN A 46 -10.564 -0.522 -0.017 1.00 45.21 N ATOM 0 H ASN A 46 -12.876 0.921 -1.034 1.00 45.02 H new ATOM 0 HA ASN A 46 -11.486 3.445 -0.737 1.00 53.32 H new ATOM 0 HB2 ASN A 46 -10.294 0.957 -1.946 1.00 12.43 H new ATOM 0 HB3 ASN A 46 -9.510 2.223 -1.023 1.00 12.43 H new ATOM 0 HD21 ASN A 46 -10.612 -1.140 0.793 1.00 45.21 H new ATOM 0 HD22 ASN A 46 -10.550 -0.915 -0.958 1.00 45.21 H new ATOM 715 N ARG A 47 -10.581 3.539 -3.337 1.00 65.51 N ATOM 716 CA ARG A 47 -10.390 3.863 -4.761 1.00 63.52 C ATOM 717 C ARG A 47 -9.544 2.822 -5.525 1.00 25.21 C ATOM 718 O ARG A 47 -9.025 3.108 -6.606 1.00 1.03 O ATOM 719 CB ARG A 47 -9.838 5.287 -4.885 1.00 11.12 C ATOM 720 CG ARG A 47 -10.869 6.301 -4.349 1.00 5.04 C ATOM 721 CD ARG A 47 -10.994 7.526 -5.246 1.00 12.05 C ATOM 722 NE ARG A 47 -11.606 7.201 -6.541 1.00 72.20 N ATOM 723 CZ ARG A 47 -11.936 8.054 -7.515 1.00 45.34 C ATOM 724 NH1 ARG A 47 -11.725 9.358 -7.377 1.00 54.23 N ATOM 725 NH2 ARG A 47 -12.524 7.566 -8.601 1.00 24.22 N ATOM 0 H ARG A 47 -9.808 3.852 -2.750 1.00 65.51 H new ATOM 0 HA ARG A 47 -11.363 3.819 -5.250 1.00 63.52 H new ATOM 0 HB2 ARG A 47 -8.906 5.374 -4.327 1.00 11.12 H new ATOM 0 HB3 ARG A 47 -9.607 5.507 -5.927 1.00 11.12 H new ATOM 0 HG2 ARG A 47 -11.841 5.816 -4.262 1.00 5.04 H new ATOM 0 HG3 ARG A 47 -10.579 6.615 -3.346 1.00 5.04 H new ATOM 0 HD2 ARG A 47 -11.593 8.284 -4.742 1.00 12.05 H new ATOM 0 HD3 ARG A 47 -10.006 7.957 -5.410 1.00 12.05 H new ATOM 0 HE ARG A 47 -11.801 6.215 -6.716 1.00 72.20 H new ATOM 0 HH11 ARG A 47 -11.306 9.719 -6.520 1.00 54.23 H new ATOM 0 HH12 ARG A 47 -11.982 9.998 -8.128 1.00 54.23 H new ATOM 0 HH21 ARG A 47 -12.711 6.566 -8.674 1.00 24.22 H new ATOM 0 HH22 ARG A 47 -12.788 8.191 -9.362 1.00 24.22 H new ATOM 739 N GLY A 48 -9.339 1.620 -4.977 1.00 42.03 N ATOM 740 CA GLY A 48 -8.606 0.559 -5.671 1.00 61.21 C ATOM 741 C GLY A 48 -7.102 0.821 -5.810 1.00 10.34 C ATOM 742 O GLY A 48 -6.432 0.140 -6.585 1.00 50.44 O ATOM 0 H GLY A 48 -9.673 1.358 -4.050 1.00 42.03 H new ATOM 0 HA2 GLY A 48 -8.752 -0.379 -5.135 1.00 61.21 H new ATOM 0 HA3 GLY A 48 -9.034 0.428 -6.665 1.00 61.21 H new ATOM 746 N PHE A 49 -6.547 1.782 -5.071 1.00 14.25 N ATOM 747 CA PHE A 49 -5.116 2.028 -4.908 1.00 42.33 C ATOM 748 C PHE A 49 -4.879 2.456 -3.462 1.00 3.15 C ATOM 749 O PHE A 49 -5.844 2.707 -2.728 1.00 62.31 O ATOM 750 CB PHE A 49 -4.596 3.060 -5.923 1.00 53.23 C ATOM 751 CG PHE A 49 -5.269 4.414 -5.868 1.00 12.23 C ATOM 752 CD1 PHE A 49 -6.292 4.721 -6.777 1.00 70.21 C ATOM 753 CD2 PHE A 49 -4.869 5.371 -4.918 1.00 54.33 C ATOM 754 CE1 PHE A 49 -6.956 5.955 -6.710 1.00 13.42 C ATOM 755 CE2 PHE A 49 -5.549 6.601 -4.836 1.00 22.45 C ATOM 756 CZ PHE A 49 -6.598 6.889 -5.724 1.00 43.43 C ATOM 0 H PHE A 49 -7.115 2.444 -4.542 1.00 14.25 H new ATOM 0 HA PHE A 49 -4.551 1.118 -5.112 1.00 42.33 H new ATOM 0 HB2 PHE A 49 -3.527 3.197 -5.762 1.00 53.23 H new ATOM 0 HB3 PHE A 49 -4.718 2.652 -6.926 1.00 53.23 H new ATOM 0 HD1 PHE A 49 -6.570 4.003 -7.534 1.00 70.21 H new ATOM 0 HD2 PHE A 49 -4.043 5.163 -4.254 1.00 54.33 H new ATOM 0 HE1 PHE A 49 -7.741 6.186 -7.415 1.00 13.42 H new ATOM 0 HE2 PHE A 49 -5.263 7.325 -4.088 1.00 22.45 H new ATOM 0 HZ PHE A 49 -7.128 7.827 -5.649 1.00 43.43 H new ATOM 766 N ALA A 50 -3.618 2.562 -3.049 1.00 53.12 N ATOM 767 CA ALA A 50 -3.209 3.157 -1.783 1.00 51.10 C ATOM 768 C ALA A 50 -1.844 3.815 -1.969 1.00 50.43 C ATOM 769 O ALA A 50 -1.191 3.599 -2.991 1.00 65.32 O ATOM 770 CB ALA A 50 -3.131 2.084 -0.691 1.00 41.14 C ATOM 0 H ALA A 50 -2.831 2.226 -3.604 1.00 53.12 H new ATOM 0 HA ALA A 50 -3.941 3.904 -1.476 1.00 51.10 H new ATOM 0 HB1 ALA A 50 -2.824 2.543 0.249 1.00 41.14 H new ATOM 0 HB2 ALA A 50 -4.109 1.620 -0.566 1.00 41.14 H new ATOM 0 HB3 ALA A 50 -2.404 1.325 -0.978 1.00 41.14 H new ATOM 776 N PHE A 51 -1.405 4.559 -0.960 1.00 24.11 N ATOM 777 CA PHE A 51 -0.134 5.255 -0.909 1.00 64.31 C ATOM 778 C PHE A 51 0.494 4.925 0.436 1.00 2.13 C ATOM 779 O PHE A 51 0.100 5.502 1.445 1.00 53.11 O ATOM 780 CB PHE A 51 -0.373 6.768 -1.041 1.00 63.10 C ATOM 781 CG PHE A 51 -1.129 7.219 -2.270 1.00 31.35 C ATOM 782 CD1 PHE A 51 -0.735 6.807 -3.556 1.00 31.22 C ATOM 783 CD2 PHE A 51 -2.238 8.068 -2.114 1.00 55.03 C ATOM 784 CE1 PHE A 51 -1.469 7.221 -4.680 1.00 42.30 C ATOM 785 CE2 PHE A 51 -2.955 8.502 -3.236 1.00 74.41 C ATOM 786 CZ PHE A 51 -2.574 8.074 -4.520 1.00 31.52 C ATOM 0 H PHE A 51 -1.958 4.697 -0.114 1.00 24.11 H new ATOM 0 HA PHE A 51 0.525 4.949 -1.722 1.00 64.31 H new ATOM 0 HB2 PHE A 51 -0.918 7.107 -0.160 1.00 63.10 H new ATOM 0 HB3 PHE A 51 0.594 7.270 -1.030 1.00 63.10 H new ATOM 0 HD1 PHE A 51 0.131 6.173 -3.679 1.00 31.22 H new ATOM 0 HD2 PHE A 51 -2.538 8.386 -1.127 1.00 55.03 H new ATOM 0 HE1 PHE A 51 -1.184 6.884 -5.666 1.00 42.30 H new ATOM 0 HE2 PHE A 51 -3.799 9.164 -3.115 1.00 74.41 H new ATOM 0 HZ PHE A 51 -3.132 8.402 -5.385 1.00 31.52 H new ATOM 796 N ILE A 52 1.436 3.996 0.489 1.00 10.01 N ATOM 797 CA ILE A 52 2.309 3.817 1.644 1.00 73.14 C ATOM 798 C ILE A 52 3.363 4.915 1.538 1.00 73.51 C ATOM 799 O ILE A 52 3.874 5.148 0.445 1.00 42.11 O ATOM 800 CB ILE A 52 2.944 2.412 1.594 1.00 10.32 C ATOM 801 CG1 ILE A 52 1.854 1.324 1.509 1.00 33.33 C ATOM 802 CG2 ILE A 52 3.874 2.164 2.796 1.00 32.41 C ATOM 803 CD1 ILE A 52 2.398 -0.097 1.336 1.00 63.50 C ATOM 0 H ILE A 52 1.619 3.341 -0.271 1.00 10.01 H new ATOM 0 HA ILE A 52 1.775 3.890 2.591 1.00 73.14 H new ATOM 0 HB ILE A 52 3.555 2.359 0.693 1.00 10.32 H new ATOM 0 HG12 ILE A 52 1.248 1.361 2.414 1.00 33.33 H new ATOM 0 HG13 ILE A 52 1.193 1.552 0.673 1.00 33.33 H new ATOM 0 HG21 ILE A 52 4.302 1.164 2.725 1.00 32.41 H new ATOM 0 HG22 ILE A 52 4.676 2.903 2.794 1.00 32.41 H new ATOM 0 HG23 ILE A 52 3.304 2.250 3.721 1.00 32.41 H new ATOM 0 HD11 ILE A 52 1.567 -0.801 1.285 1.00 63.50 H new ATOM 0 HD12 ILE A 52 2.979 -0.154 0.416 1.00 63.50 H new ATOM 0 HD13 ILE A 52 3.035 -0.348 2.184 1.00 63.50 H new ATOM 815 N GLN A 53 3.714 5.614 2.616 1.00 41.11 N ATOM 816 CA GLN A 53 4.901 6.413 2.661 1.00 52.21 C ATOM 817 C GLN A 53 5.525 6.271 4.043 1.00 60.33 C ATOM 818 O GLN A 53 4.812 6.156 5.047 1.00 55.01 O ATOM 819 CB GLN A 53 4.615 7.847 2.261 1.00 63.12 C ATOM 820 CG GLN A 53 3.562 8.636 3.032 1.00 72.11 C ATOM 821 CD GLN A 53 2.099 8.400 2.660 1.00 20.52 C ATOM 822 OE1 GLN A 53 1.808 7.718 1.566 1.00 14.11 O flip ATOM 823 NE2 GLN A 53 1.195 8.893 3.332 1.00 13.01 N flip ATOM 0 H GLN A 53 3.169 5.631 3.478 1.00 41.11 H new ATOM 0 HA GLN A 53 5.628 6.061 1.929 1.00 52.21 H new ATOM 0 HB2 GLN A 53 5.552 8.399 2.326 1.00 63.12 H new ATOM 0 HB3 GLN A 53 4.320 7.843 1.212 1.00 63.12 H new ATOM 0 HG2 GLN A 53 3.681 8.411 4.092 1.00 72.11 H new ATOM 0 HG3 GLN A 53 3.776 9.697 2.905 1.00 72.11 H new ATOM 0 HE21 GLN A 53 1.417 9.420 4.177 1.00 13.01 H new ATOM 0 HE22 GLN A 53 0.223 8.775 3.045 1.00 13.01 H new ATOM 832 N LEU A 54 6.854 6.237 4.078 1.00 22.34 N ATOM 833 CA LEU A 54 7.653 5.823 5.229 1.00 22.21 C ATOM 834 C LEU A 54 8.760 6.855 5.455 1.00 14.42 C ATOM 835 O LEU A 54 8.793 7.914 4.816 1.00 11.42 O ATOM 836 CB LEU A 54 8.229 4.405 4.989 1.00 15.21 C ATOM 837 CG LEU A 54 7.171 3.292 4.835 1.00 63.53 C ATOM 838 CD1 LEU A 54 7.626 2.210 3.849 1.00 41.13 C ATOM 839 CD2 LEU A 54 6.885 2.651 6.189 1.00 0.12 C ATOM 0 H LEU A 54 7.425 6.507 3.277 1.00 22.34 H new ATOM 0 HA LEU A 54 7.035 5.775 6.125 1.00 22.21 H new ATOM 0 HB2 LEU A 54 8.846 4.426 4.091 1.00 15.21 H new ATOM 0 HB3 LEU A 54 8.886 4.150 5.821 1.00 15.21 H new ATOM 0 HG LEU A 54 6.265 3.754 4.442 1.00 63.53 H new ATOM 0 HD11 LEU A 54 6.855 1.444 3.768 1.00 41.13 H new ATOM 0 HD12 LEU A 54 7.797 2.658 2.870 1.00 41.13 H new ATOM 0 HD13 LEU A 54 8.550 1.757 4.207 1.00 41.13 H new ATOM 0 HD21 LEU A 54 6.137 1.867 6.070 1.00 0.12 H new ATOM 0 HD22 LEU A 54 7.803 2.219 6.588 1.00 0.12 H new ATOM 0 HD23 LEU A 54 6.510 3.408 6.878 1.00 0.12 H new ATOM 851 N SER A 55 9.689 6.536 6.349 1.00 74.14 N ATOM 852 CA SER A 55 11.052 7.029 6.249 1.00 12.15 C ATOM 853 C SER A 55 11.590 6.792 4.835 1.00 20.11 C ATOM 854 O SER A 55 11.284 5.773 4.216 1.00 14.34 O ATOM 855 CB SER A 55 11.901 6.277 7.269 1.00 51.02 C ATOM 856 OG SER A 55 12.055 7.046 8.439 1.00 62.14 O ATOM 0 H SER A 55 9.519 5.934 7.155 1.00 74.14 H new ATOM 0 HA SER A 55 11.085 8.100 6.451 1.00 12.15 H new ATOM 0 HB2 SER A 55 11.431 5.324 7.511 1.00 51.02 H new ATOM 0 HB3 SER A 55 12.878 6.051 6.843 1.00 51.02 H new ATOM 0 HG SER A 55 12.600 6.552 9.086 1.00 62.14 H new ATOM 862 N THR A 56 12.449 7.695 4.378 1.00 54.31 N ATOM 863 CA THR A 56 13.147 7.672 3.099 1.00 44.40 C ATOM 864 C THR A 56 13.774 6.298 2.826 1.00 14.43 C ATOM 865 O THR A 56 13.336 5.542 1.959 1.00 21.04 O ATOM 866 CB THR A 56 14.188 8.815 3.123 1.00 11.55 C ATOM 867 OG1 THR A 56 14.874 8.855 4.376 1.00 43.03 O ATOM 868 CG2 THR A 56 13.522 10.179 2.939 1.00 24.23 C ATOM 0 H THR A 56 12.693 8.518 4.929 1.00 54.31 H new ATOM 0 HA THR A 56 12.452 7.834 2.275 1.00 44.40 H new ATOM 0 HB THR A 56 14.881 8.616 2.306 1.00 11.55 H new ATOM 0 HG1 THR A 56 15.528 9.584 4.367 1.00 43.03 H new ATOM 0 HG21 THR A 56 14.281 10.961 2.961 1.00 24.23 H new ATOM 0 HG22 THR A 56 13.003 10.204 1.981 1.00 24.23 H new ATOM 0 HG23 THR A 56 12.806 10.346 3.744 1.00 24.23 H new ATOM 876 N ILE A 57 14.789 5.965 3.619 1.00 71.34 N ATOM 877 CA ILE A 57 15.587 4.751 3.504 1.00 20.24 C ATOM 878 C ILE A 57 14.701 3.522 3.704 1.00 1.43 C ATOM 879 O ILE A 57 14.861 2.516 3.015 1.00 41.51 O ATOM 880 CB ILE A 57 16.722 4.807 4.551 1.00 12.14 C ATOM 881 CG1 ILE A 57 17.491 6.142 4.544 1.00 62.41 C ATOM 882 CG2 ILE A 57 17.707 3.643 4.397 1.00 41.42 C ATOM 883 CD1 ILE A 57 18.138 6.513 3.205 1.00 12.53 C ATOM 0 H ILE A 57 15.089 6.560 4.391 1.00 71.34 H new ATOM 0 HA ILE A 57 16.027 4.678 2.510 1.00 20.24 H new ATOM 0 HB ILE A 57 16.220 4.720 5.515 1.00 12.14 H new ATOM 0 HG12 ILE A 57 16.806 6.939 4.832 1.00 62.41 H new ATOM 0 HG13 ILE A 57 18.269 6.099 5.306 1.00 62.41 H new ATOM 0 HG21 ILE A 57 18.487 3.724 5.154 1.00 41.42 H new ATOM 0 HG22 ILE A 57 17.177 2.699 4.522 1.00 41.42 H new ATOM 0 HG23 ILE A 57 18.158 3.677 3.405 1.00 41.42 H new ATOM 0 HD11 ILE A 57 18.655 7.468 3.303 1.00 12.53 H new ATOM 0 HD12 ILE A 57 18.853 5.741 2.920 1.00 12.53 H new ATOM 0 HD13 ILE A 57 17.367 6.594 2.439 1.00 12.53 H new ATOM 895 N GLU A 58 13.765 3.610 4.649 1.00 41.23 N ATOM 896 CA GLU A 58 12.847 2.532 4.971 1.00 75.32 C ATOM 897 C GLU A 58 12.041 2.144 3.734 1.00 4.02 C ATOM 898 O GLU A 58 12.036 0.977 3.352 1.00 41.32 O ATOM 899 CB GLU A 58 11.933 2.939 6.125 1.00 63.21 C ATOM 900 CG GLU A 58 12.679 2.972 7.462 1.00 63.22 C ATOM 901 CD GLU A 58 12.814 1.583 8.077 1.00 60.32 C ATOM 902 OE1 GLU A 58 11.976 1.247 8.949 1.00 73.14 O ATOM 903 OE2 GLU A 58 13.715 0.825 7.660 1.00 71.23 O ATOM 0 H GLU A 58 13.626 4.446 5.217 1.00 41.23 H new ATOM 0 HA GLU A 58 13.418 1.660 5.290 1.00 75.32 H new ATOM 0 HB2 GLU A 58 11.509 3.922 5.922 1.00 63.21 H new ATOM 0 HB3 GLU A 58 11.100 2.240 6.192 1.00 63.21 H new ATOM 0 HG2 GLU A 58 13.670 3.400 7.313 1.00 63.22 H new ATOM 0 HG3 GLU A 58 12.150 3.626 8.156 1.00 63.22 H new ATOM 910 N ALA A 59 11.387 3.118 3.098 1.00 20.44 N ATOM 911 CA ALA A 59 10.647 2.918 1.861 1.00 71.41 C ATOM 912 C ALA A 59 11.558 2.375 0.755 1.00 44.51 C ATOM 913 O ALA A 59 11.236 1.362 0.133 1.00 12.21 O ATOM 914 CB ALA A 59 10.010 4.241 1.414 1.00 61.33 C ATOM 0 H ALA A 59 11.359 4.080 3.437 1.00 20.44 H new ATOM 0 HA ALA A 59 9.863 2.183 2.047 1.00 71.41 H new ATOM 0 HB1 ALA A 59 9.458 4.084 0.487 1.00 61.33 H new ATOM 0 HB2 ALA A 59 9.329 4.596 2.187 1.00 61.33 H new ATOM 0 HB3 ALA A 59 10.791 4.984 1.250 1.00 61.33 H new ATOM 920 N ALA A 60 12.655 3.080 0.464 1.00 5.31 N ATOM 921 CA ALA A 60 13.465 2.825 -0.721 1.00 50.51 C ATOM 922 C ALA A 60 14.198 1.484 -0.663 1.00 22.11 C ATOM 923 O ALA A 60 14.452 0.892 -1.713 1.00 33.02 O ATOM 924 CB ALA A 60 14.453 3.977 -0.913 1.00 61.23 C ATOM 0 H ALA A 60 13.003 3.842 1.046 1.00 5.31 H new ATOM 0 HA ALA A 60 12.793 2.765 -1.577 1.00 50.51 H new ATOM 0 HB1 ALA A 60 15.061 3.791 -1.798 1.00 61.23 H new ATOM 0 HB2 ALA A 60 13.904 4.910 -1.040 1.00 61.23 H new ATOM 0 HB3 ALA A 60 15.099 4.052 -0.038 1.00 61.23 H new ATOM 930 N GLN A 61 14.566 0.992 0.522 1.00 44.51 N ATOM 931 CA GLN A 61 15.080 -0.364 0.663 1.00 23.22 C ATOM 932 C GLN A 61 13.945 -1.356 0.448 1.00 41.12 C ATOM 933 O GLN A 61 14.047 -2.205 -0.436 1.00 61.41 O ATOM 934 CB GLN A 61 15.671 -0.579 2.054 1.00 45.24 C ATOM 935 CG GLN A 61 16.987 0.177 2.264 1.00 72.30 C ATOM 936 CD GLN A 61 17.483 -0.022 3.690 1.00 51.54 C ATOM 937 OE1 GLN A 61 16.636 0.238 4.666 1.00 74.02 O flip ATOM 938 NE2 GLN A 61 18.628 -0.412 3.920 1.00 73.42 N flip ATOM 0 H GLN A 61 14.516 1.516 1.396 1.00 44.51 H new ATOM 0 HA GLN A 61 15.864 -0.517 -0.079 1.00 23.22 H new ATOM 0 HB2 GLN A 61 14.949 -0.257 2.804 1.00 45.24 H new ATOM 0 HB3 GLN A 61 15.840 -1.644 2.211 1.00 45.24 H new ATOM 0 HG2 GLN A 61 17.737 -0.179 1.557 1.00 72.30 H new ATOM 0 HG3 GLN A 61 16.841 1.239 2.066 1.00 72.30 H new ATOM 0 HE21 GLN A 61 19.265 -0.607 3.148 1.00 73.42 H new ATOM 0 HE22 GLN A 61 18.939 -0.540 4.883 1.00 73.42 H new ATOM 947 N LEU A 62 12.877 -1.243 1.248 1.00 70.43 N ATOM 948 CA LEU A 62 11.794 -2.220 1.326 1.00 45.53 C ATOM 949 C LEU A 62 11.249 -2.516 -0.058 1.00 72.01 C ATOM 950 O LEU A 62 11.105 -3.676 -0.431 1.00 65.42 O ATOM 951 CB LEU A 62 10.700 -1.683 2.257 1.00 22.23 C ATOM 952 CG LEU A 62 9.678 -2.691 2.778 1.00 24.31 C ATOM 953 CD1 LEU A 62 8.862 -3.473 1.754 1.00 71.32 C ATOM 954 CD2 LEU A 62 10.354 -3.661 3.748 1.00 14.41 C ATOM 0 H LEU A 62 12.743 -0.448 1.873 1.00 70.43 H new ATOM 0 HA LEU A 62 12.171 -3.158 1.734 1.00 45.53 H new ATOM 0 HB2 LEU A 62 11.184 -1.217 3.115 1.00 22.23 H new ATOM 0 HB3 LEU A 62 10.161 -0.896 1.729 1.00 22.23 H new ATOM 0 HG LEU A 62 8.934 -2.062 3.267 1.00 24.31 H new ATOM 0 HD11 LEU A 62 8.180 -4.148 2.271 1.00 71.32 H new ATOM 0 HD12 LEU A 62 8.289 -2.779 1.139 1.00 71.32 H new ATOM 0 HD13 LEU A 62 9.533 -4.051 1.119 1.00 71.32 H new ATOM 0 HD21 LEU A 62 9.620 -4.378 4.116 1.00 14.41 H new ATOM 0 HD22 LEU A 62 11.154 -4.193 3.232 1.00 14.41 H new ATOM 0 HD23 LEU A 62 10.771 -3.105 4.587 1.00 14.41 H new ATOM 966 N LEU A 63 11.025 -1.462 -0.843 1.00 73.23 N ATOM 967 CA LEU A 63 10.553 -1.553 -2.210 1.00 33.43 C ATOM 968 C LEU A 63 11.338 -2.612 -2.986 1.00 53.54 C ATOM 969 O LEU A 63 10.741 -3.484 -3.613 1.00 51.21 O ATOM 970 CB LEU A 63 10.731 -0.179 -2.872 1.00 25.25 C ATOM 971 CG LEU A 63 10.419 -0.185 -4.382 1.00 23.05 C ATOM 972 CD1 LEU A 63 8.912 -0.075 -4.620 1.00 14.15 C ATOM 973 CD2 LEU A 63 11.175 0.968 -5.030 1.00 51.11 C ATOM 0 H LEU A 63 11.173 -0.502 -0.531 1.00 73.23 H new ATOM 0 HA LEU A 63 9.503 -1.845 -2.215 1.00 33.43 H new ATOM 0 HB2 LEU A 63 10.081 0.542 -2.377 1.00 25.25 H new ATOM 0 HB3 LEU A 63 11.756 0.159 -2.721 1.00 25.25 H new ATOM 0 HG LEU A 63 10.742 -1.124 -4.831 1.00 23.05 H new ATOM 0 HD11 LEU A 63 8.711 -0.081 -5.691 1.00 14.15 H new ATOM 0 HD12 LEU A 63 8.407 -0.920 -4.152 1.00 14.15 H new ATOM 0 HD13 LEU A 63 8.542 0.854 -4.187 1.00 14.15 H new ATOM 0 HD21 LEU A 63 10.969 0.983 -6.100 1.00 51.11 H new ATOM 0 HD22 LEU A 63 10.853 1.910 -4.585 1.00 51.11 H new ATOM 0 HD23 LEU A 63 12.245 0.838 -4.869 1.00 51.11 H new ATOM 985 N GLN A 64 12.669 -2.504 -2.978 1.00 73.14 N ATOM 986 CA GLN A 64 13.528 -3.373 -3.762 1.00 51.12 C ATOM 987 C GLN A 64 13.458 -4.812 -3.297 1.00 24.24 C ATOM 988 O GLN A 64 13.531 -5.708 -4.138 1.00 52.54 O ATOM 989 CB GLN A 64 14.988 -2.885 -3.698 1.00 32.05 C ATOM 990 CG GLN A 64 15.230 -1.641 -4.552 1.00 24.34 C ATOM 991 CD GLN A 64 14.668 -1.861 -5.951 1.00 3.21 C ATOM 992 OE1 GLN A 64 15.147 -2.698 -6.714 1.00 21.34 O ATOM 993 NE2 GLN A 64 13.540 -1.239 -6.233 1.00 54.40 N ATOM 0 H GLN A 64 13.174 -1.810 -2.426 1.00 73.14 H new ATOM 0 HA GLN A 64 13.170 -3.332 -4.791 1.00 51.12 H new ATOM 0 HB2 GLN A 64 15.249 -2.667 -2.663 1.00 32.05 H new ATOM 0 HB3 GLN A 64 15.649 -3.685 -4.032 1.00 32.05 H new ATOM 0 HG2 GLN A 64 14.756 -0.774 -4.091 1.00 24.34 H new ATOM 0 HG3 GLN A 64 16.298 -1.428 -4.608 1.00 24.34 H new ATOM 0 HE21 GLN A 64 13.162 -0.548 -5.584 1.00 54.40 H new ATOM 0 HE22 GLN A 64 13.045 -1.448 -7.100 1.00 54.40 H new ATOM 1002 N ILE A 65 13.300 -5.020 -1.990 1.00 71.44 N ATOM 1003 CA ILE A 65 13.105 -6.344 -1.410 1.00 22.12 C ATOM 1004 C ILE A 65 11.916 -6.987 -2.136 1.00 44.24 C ATOM 1005 O ILE A 65 12.083 -8.046 -2.736 1.00 63.32 O ATOM 1006 CB ILE A 65 12.960 -6.283 0.137 1.00 32.35 C ATOM 1007 CG1 ILE A 65 14.160 -5.552 0.780 1.00 14.52 C ATOM 1008 CG2 ILE A 65 12.837 -7.686 0.751 1.00 1.22 C ATOM 1009 CD1 ILE A 65 14.060 -5.408 2.303 1.00 73.34 C ATOM 0 H ILE A 65 13.304 -4.268 -1.301 1.00 71.44 H new ATOM 0 HA ILE A 65 13.982 -6.974 -1.558 1.00 22.12 H new ATOM 0 HB ILE A 65 12.045 -5.728 0.344 1.00 32.35 H new ATOM 0 HG12 ILE A 65 15.075 -6.092 0.536 1.00 14.52 H new ATOM 0 HG13 ILE A 65 14.248 -4.560 0.337 1.00 14.52 H new ATOM 0 HG21 ILE A 65 12.737 -7.602 1.833 1.00 1.22 H new ATOM 0 HG22 ILE A 65 11.958 -8.186 0.343 1.00 1.22 H new ATOM 0 HG23 ILE A 65 13.728 -8.267 0.513 1.00 1.22 H new ATOM 0 HD11 ILE A 65 14.940 -4.885 2.678 1.00 73.34 H new ATOM 0 HD12 ILE A 65 13.165 -4.840 2.557 1.00 73.34 H new ATOM 0 HD13 ILE A 65 14.004 -6.396 2.759 1.00 73.34 H new ATOM 1021 N LEU A 66 10.753 -6.320 -2.171 1.00 63.22 N ATOM 1022 CA LEU A 66 9.530 -6.854 -2.787 1.00 21.02 C ATOM 1023 C LEU A 66 9.696 -7.182 -4.271 1.00 3.55 C ATOM 1024 O LEU A 66 8.990 -8.048 -4.786 1.00 45.33 O ATOM 1025 CB LEU A 66 8.354 -5.860 -2.690 1.00 24.04 C ATOM 1026 CG LEU A 66 8.070 -5.215 -1.326 1.00 22.22 C ATOM 1027 CD1 LEU A 66 6.809 -4.354 -1.434 1.00 33.35 C ATOM 1028 CD2 LEU A 66 7.916 -6.240 -0.199 1.00 42.30 C ATOM 0 H LEU A 66 10.634 -5.390 -1.770 1.00 63.22 H new ATOM 0 HA LEU A 66 9.325 -7.765 -2.225 1.00 21.02 H new ATOM 0 HB2 LEU A 66 8.533 -5.059 -3.408 1.00 24.04 H new ATOM 0 HB3 LEU A 66 7.450 -6.379 -3.009 1.00 24.04 H new ATOM 0 HG LEU A 66 8.932 -4.601 -1.066 1.00 22.22 H new ATOM 0 HD11 LEU A 66 6.600 -3.892 -0.469 1.00 33.35 H new ATOM 0 HD12 LEU A 66 6.962 -3.577 -2.183 1.00 33.35 H new ATOM 0 HD13 LEU A 66 5.966 -4.979 -1.727 1.00 33.35 H new ATOM 0 HD21 LEU A 66 7.717 -5.722 0.739 1.00 42.30 H new ATOM 0 HD22 LEU A 66 7.087 -6.910 -0.427 1.00 42.30 H new ATOM 0 HD23 LEU A 66 8.835 -6.819 -0.106 1.00 42.30 H new ATOM 1040 N GLN A 67 10.587 -6.474 -4.967 1.00 74.04 N ATOM 1041 CA GLN A 67 10.757 -6.576 -6.416 1.00 14.51 C ATOM 1042 C GLN A 67 11.711 -7.707 -6.812 1.00 5.42 C ATOM 1043 O GLN A 67 12.171 -7.753 -7.954 1.00 34.33 O ATOM 1044 CB GLN A 67 11.239 -5.222 -6.967 1.00 52.43 C ATOM 1045 CG GLN A 67 10.128 -4.166 -6.916 1.00 24.11 C ATOM 1046 CD GLN A 67 10.539 -2.853 -7.590 1.00 3.53 C ATOM 1047 OE1 GLN A 67 11.714 -2.597 -7.846 1.00 33.23 O ATOM 1048 NE2 GLN A 67 9.605 -1.964 -7.884 1.00 5.14 N ATOM 0 H GLN A 67 11.220 -5.803 -4.532 1.00 74.04 H new ATOM 0 HA GLN A 67 9.792 -6.825 -6.857 1.00 14.51 H new ATOM 0 HB2 GLN A 67 12.097 -4.877 -6.389 1.00 52.43 H new ATOM 0 HB3 GLN A 67 11.577 -5.346 -7.996 1.00 52.43 H new ATOM 0 HG2 GLN A 67 9.235 -4.558 -7.404 1.00 24.11 H new ATOM 0 HG3 GLN A 67 9.864 -3.971 -5.877 1.00 24.11 H new ATOM 0 HE21 GLN A 67 8.627 -2.165 -7.677 1.00 5.14 H new ATOM 0 HE22 GLN A 67 9.863 -1.078 -8.318 1.00 5.14 H new ATOM 1057 N ALA A 68 12.026 -8.613 -5.886 1.00 53.52 N ATOM 1058 CA ALA A 68 13.041 -9.640 -6.087 1.00 63.24 C ATOM 1059 C ALA A 68 12.706 -10.984 -5.431 1.00 11.11 C ATOM 1060 O ALA A 68 13.601 -11.826 -5.283 1.00 50.13 O ATOM 1061 CB ALA A 68 14.367 -9.093 -5.555 1.00 63.00 C ATOM 0 H ALA A 68 11.579 -8.653 -4.970 1.00 53.52 H new ATOM 0 HA ALA A 68 13.097 -9.856 -7.154 1.00 63.24 H new ATOM 0 HB1 ALA A 68 15.149 -9.840 -5.691 1.00 63.00 H new ATOM 0 HB2 ALA A 68 14.632 -8.187 -6.100 1.00 63.00 H new ATOM 0 HB3 ALA A 68 14.266 -8.862 -4.494 1.00 63.00 H new ATOM 1067 N LEU A 69 11.457 -11.197 -5.016 1.00 13.32 N ATOM 1068 CA LEU A 69 11.028 -12.364 -4.246 1.00 44.33 C ATOM 1069 C LEU A 69 9.666 -12.873 -4.733 1.00 11.40 C ATOM 1070 O LEU A 69 9.165 -12.402 -5.754 1.00 10.34 O ATOM 1071 CB LEU A 69 11.106 -12.031 -2.742 1.00 73.43 C ATOM 1072 CG LEU A 69 10.387 -10.738 -2.298 1.00 54.25 C ATOM 1073 CD1 LEU A 69 8.876 -10.861 -2.212 1.00 13.14 C ATOM 1074 CD2 LEU A 69 10.946 -10.288 -0.958 1.00 33.03 C ATOM 0 H LEU A 69 10.697 -10.546 -5.211 1.00 13.32 H new ATOM 0 HA LEU A 69 11.700 -13.206 -4.408 1.00 44.33 H new ATOM 0 HB2 LEU A 69 10.687 -12.867 -2.183 1.00 73.43 H new ATOM 0 HB3 LEU A 69 12.156 -11.954 -2.461 1.00 73.43 H new ATOM 0 HG LEU A 69 10.580 -9.997 -3.073 1.00 54.25 H new ATOM 0 HD11 LEU A 69 8.451 -9.909 -1.894 1.00 13.14 H new ATOM 0 HD12 LEU A 69 8.476 -11.128 -3.190 1.00 13.14 H new ATOM 0 HD13 LEU A 69 8.614 -11.635 -1.490 1.00 13.14 H new ATOM 0 HD21 LEU A 69 10.441 -9.375 -0.641 1.00 33.03 H new ATOM 0 HD22 LEU A 69 10.784 -11.069 -0.215 1.00 33.03 H new ATOM 0 HD23 LEU A 69 12.015 -10.096 -1.055 1.00 33.03 H new ATOM 1086 N HIS A 70 9.091 -13.861 -4.039 1.00 22.30 N ATOM 1087 CA HIS A 70 7.768 -14.440 -4.303 1.00 21.40 C ATOM 1088 C HIS A 70 6.691 -13.365 -4.527 1.00 61.41 C ATOM 1089 O HIS A 70 6.824 -12.254 -4.021 1.00 24.44 O ATOM 1090 CB HIS A 70 7.363 -15.303 -3.093 1.00 41.31 C ATOM 1091 CG HIS A 70 7.491 -16.795 -3.263 1.00 2.14 C ATOM 1092 ND1 HIS A 70 6.705 -17.726 -2.622 1.00 45.53 N ATOM 1093 CD2 HIS A 70 8.421 -17.475 -4.001 1.00 62.01 C ATOM 1094 CE1 HIS A 70 7.148 -18.942 -2.971 1.00 10.14 C ATOM 1095 NE2 HIS A 70 8.180 -18.844 -3.828 1.00 62.15 N ATOM 0 H HIS A 70 9.555 -14.299 -3.243 1.00 22.30 H new ATOM 0 HA HIS A 70 7.837 -15.033 -5.215 1.00 21.40 H new ATOM 0 HB2 HIS A 70 7.971 -15.003 -2.240 1.00 41.31 H new ATOM 0 HB3 HIS A 70 6.327 -15.075 -2.842 1.00 41.31 H new ATOM 0 HD2 HIS A 70 9.200 -17.036 -4.607 1.00 62.01 H new ATOM 0 HE1 HIS A 70 6.733 -19.873 -2.613 1.00 10.14 H new ATOM 0 HE2 HIS A 70 8.687 -19.614 -4.265 1.00 62.15 H new ATOM 1103 N PRO A 71 5.567 -13.676 -5.188 1.00 41.31 N ATOM 1104 CA PRO A 71 4.527 -12.688 -5.426 1.00 33.31 C ATOM 1105 C PRO A 71 3.795 -12.289 -4.127 1.00 31.20 C ATOM 1106 O PRO A 71 3.917 -12.960 -3.092 1.00 23.54 O ATOM 1107 CB PRO A 71 3.593 -13.337 -6.445 1.00 23.33 C ATOM 1108 CG PRO A 71 3.733 -14.825 -6.135 1.00 34.43 C ATOM 1109 CD PRO A 71 5.213 -14.949 -5.782 1.00 74.41 C ATOM 0 HA PRO A 71 4.938 -11.750 -5.801 1.00 33.31 H new ATOM 0 HB2 PRO A 71 2.565 -12.994 -6.327 1.00 23.33 H new ATOM 0 HB3 PRO A 71 3.890 -13.108 -7.469 1.00 23.33 H new ATOM 0 HG2 PRO A 71 3.091 -15.130 -5.308 1.00 34.43 H new ATOM 0 HG3 PRO A 71 3.466 -15.445 -6.991 1.00 34.43 H new ATOM 0 HD2 PRO A 71 5.385 -15.770 -5.086 1.00 74.41 H new ATOM 0 HD3 PRO A 71 5.814 -15.151 -6.668 1.00 74.41 H new ATOM 1117 N PRO A 72 3.038 -11.180 -4.147 1.00 23.01 N ATOM 1118 CA PRO A 72 2.372 -10.673 -2.956 1.00 72.24 C ATOM 1119 C PRO A 72 1.200 -11.561 -2.484 1.00 54.44 C ATOM 1120 O PRO A 72 0.669 -12.407 -3.214 1.00 31.34 O ATOM 1121 CB PRO A 72 1.990 -9.224 -3.278 1.00 65.13 C ATOM 1122 CG PRO A 72 2.088 -9.085 -4.791 1.00 73.25 C ATOM 1123 CD PRO A 72 2.974 -10.233 -5.250 1.00 33.04 C ATOM 0 HA PRO A 72 3.032 -10.699 -2.089 1.00 72.24 H new ATOM 0 HB2 PRO A 72 0.981 -9.001 -2.931 1.00 65.13 H new ATOM 0 HB3 PRO A 72 2.660 -8.525 -2.779 1.00 65.13 H new ATOM 0 HG2 PRO A 72 1.103 -9.140 -5.254 1.00 73.25 H new ATOM 0 HG3 PRO A 72 2.518 -8.123 -5.069 1.00 73.25 H new ATOM 0 HD2 PRO A 72 2.563 -10.706 -6.142 1.00 33.04 H new ATOM 0 HD3 PRO A 72 3.970 -9.873 -5.509 1.00 33.04 H new ATOM 1131 N LEU A 73 0.823 -11.358 -1.219 1.00 4.23 N ATOM 1132 CA LEU A 73 -0.137 -12.101 -0.407 1.00 41.34 C ATOM 1133 C LEU A 73 -1.469 -11.369 -0.423 1.00 25.14 C ATOM 1134 O LEU A 73 -1.568 -10.222 0.021 1.00 44.45 O ATOM 1135 CB LEU A 73 0.445 -12.278 1.004 1.00 13.13 C ATOM 1136 CG LEU A 73 -0.378 -13.138 1.976 1.00 64.25 C ATOM 1137 CD1 LEU A 73 -1.608 -12.390 2.464 1.00 13.40 C ATOM 1138 CD2 LEU A 73 -0.771 -14.507 1.402 1.00 23.33 C ATOM 0 H LEU A 73 1.227 -10.588 -0.685 1.00 4.23 H new ATOM 0 HA LEU A 73 -0.319 -13.098 -0.808 1.00 41.34 H new ATOM 0 HB2 LEU A 73 1.437 -12.720 0.912 1.00 13.13 H new ATOM 0 HB3 LEU A 73 0.575 -11.291 1.447 1.00 13.13 H new ATOM 0 HG LEU A 73 0.277 -13.336 2.824 1.00 64.25 H new ATOM 0 HD11 LEU A 73 -2.171 -13.023 3.150 1.00 13.40 H new ATOM 0 HD12 LEU A 73 -1.300 -11.480 2.980 1.00 13.40 H new ATOM 0 HD13 LEU A 73 -2.237 -12.129 1.613 1.00 13.40 H new ATOM 0 HD21 LEU A 73 -1.350 -15.059 2.142 1.00 23.33 H new ATOM 0 HD22 LEU A 73 -1.372 -14.366 0.503 1.00 23.33 H new ATOM 0 HD23 LEU A 73 0.129 -15.069 1.152 1.00 23.33 H new ATOM 1150 N THR A 74 -2.489 -12.008 -0.981 1.00 2.03 N ATOM 1151 CA THR A 74 -3.832 -11.455 -1.124 1.00 44.02 C ATOM 1152 C THR A 74 -4.646 -11.776 0.140 1.00 23.22 C ATOM 1153 O THR A 74 -4.513 -12.864 0.690 1.00 25.40 O ATOM 1154 CB THR A 74 -4.499 -11.996 -2.401 1.00 54.13 C ATOM 1155 OG1 THR A 74 -5.900 -11.956 -2.265 1.00 65.55 O ATOM 1156 CG2 THR A 74 -4.162 -13.430 -2.788 1.00 34.41 C ATOM 0 H THR A 74 -2.404 -12.952 -1.358 1.00 2.03 H new ATOM 0 HA THR A 74 -3.783 -10.371 -1.228 1.00 44.02 H new ATOM 0 HB THR A 74 -4.104 -11.345 -3.181 1.00 54.13 H new ATOM 0 HG1 THR A 74 -6.262 -12.864 -2.335 1.00 65.55 H new ATOM 0 HG21 THR A 74 -4.692 -13.694 -3.703 1.00 34.41 H new ATOM 0 HG22 THR A 74 -3.088 -13.520 -2.952 1.00 34.41 H new ATOM 0 HG23 THR A 74 -4.464 -14.104 -1.986 1.00 34.41 H new ATOM 1164 N ILE A 75 -5.551 -10.874 0.544 1.00 44.05 N ATOM 1165 CA ILE A 75 -6.430 -11.034 1.706 1.00 50.41 C ATOM 1166 C ILE A 75 -7.908 -10.780 1.328 1.00 72.32 C ATOM 1167 O ILE A 75 -8.737 -10.509 2.188 1.00 61.43 O ATOM 1168 CB ILE A 75 -5.950 -10.147 2.893 1.00 42.14 C ATOM 1169 CG1 ILE A 75 -4.418 -9.971 3.032 1.00 31.22 C ATOM 1170 CG2 ILE A 75 -6.424 -10.761 4.223 1.00 45.03 C ATOM 1171 CD1 ILE A 75 -3.802 -8.779 2.296 1.00 13.23 C ATOM 0 H ILE A 75 -5.694 -9.989 0.057 1.00 44.05 H new ATOM 0 HA ILE A 75 -6.371 -12.069 2.044 1.00 50.41 H new ATOM 0 HB ILE A 75 -6.378 -9.169 2.674 1.00 42.14 H new ATOM 0 HG12 ILE A 75 -4.179 -9.879 4.092 1.00 31.22 H new ATOM 0 HG13 ILE A 75 -3.935 -10.880 2.674 1.00 31.22 H new ATOM 0 HG21 ILE A 75 -6.087 -10.138 5.052 1.00 45.03 H new ATOM 0 HG22 ILE A 75 -7.513 -10.817 4.231 1.00 45.03 H new ATOM 0 HG23 ILE A 75 -6.009 -11.763 4.330 1.00 45.03 H new ATOM 0 HD11 ILE A 75 -2.726 -8.761 2.469 1.00 13.23 H new ATOM 0 HD12 ILE A 75 -3.997 -8.871 1.227 1.00 13.23 H new ATOM 0 HD13 ILE A 75 -4.244 -7.854 2.667 1.00 13.23 H new ATOM 1183 N ASP A 76 -8.262 -10.797 0.040 1.00 71.25 N ATOM 1184 CA ASP A 76 -9.670 -10.812 -0.423 1.00 24.31 C ATOM 1185 C ASP A 76 -9.699 -11.293 -1.880 1.00 30.32 C ATOM 1186 O ASP A 76 -10.338 -10.687 -2.732 1.00 14.03 O ATOM 1187 CB ASP A 76 -10.344 -9.422 -0.251 1.00 33.20 C ATOM 1188 CG ASP A 76 -11.877 -9.444 -0.163 1.00 43.05 C ATOM 1189 OD1 ASP A 76 -12.462 -10.370 0.433 1.00 65.15 O ATOM 1190 OD2 ASP A 76 -12.518 -8.456 -0.607 1.00 42.42 O ATOM 0 H ASP A 76 -7.584 -10.801 -0.722 1.00 71.25 H new ATOM 0 HA ASP A 76 -10.250 -11.501 0.191 1.00 24.31 H new ATOM 0 HB2 ASP A 76 -9.951 -8.955 0.652 1.00 33.20 H new ATOM 0 HB3 ASP A 76 -10.053 -8.789 -1.089 1.00 33.20 H new ATOM 1195 N GLY A 77 -8.844 -12.262 -2.229 1.00 30.34 N ATOM 1196 CA GLY A 77 -8.644 -12.741 -3.598 1.00 10.13 C ATOM 1197 C GLY A 77 -8.050 -11.722 -4.584 1.00 54.02 C ATOM 1198 O GLY A 77 -8.046 -11.992 -5.784 1.00 42.41 O ATOM 0 H GLY A 77 -8.258 -12.746 -1.548 1.00 30.34 H new ATOM 0 HA2 GLY A 77 -7.989 -13.612 -3.566 1.00 10.13 H new ATOM 0 HA3 GLY A 77 -9.604 -13.079 -3.988 1.00 10.13 H new ATOM 1202 N LYS A 78 -7.489 -10.591 -4.138 1.00 12.01 N ATOM 1203 CA LYS A 78 -6.983 -9.523 -4.999 1.00 43.33 C ATOM 1204 C LYS A 78 -5.470 -9.362 -4.785 1.00 32.33 C ATOM 1205 O LYS A 78 -5.043 -8.737 -3.814 1.00 65.11 O ATOM 1206 CB LYS A 78 -7.775 -8.228 -4.720 1.00 52.15 C ATOM 1207 CG LYS A 78 -7.633 -7.521 -3.364 1.00 10.10 C ATOM 1208 CD LYS A 78 -7.517 -8.407 -2.137 1.00 34.22 C ATOM 1209 CE LYS A 78 -7.648 -7.632 -0.831 1.00 73.53 C ATOM 1210 NZ LYS A 78 -6.433 -6.912 -0.405 1.00 31.32 N ATOM 0 H LYS A 78 -7.373 -10.392 -3.144 1.00 12.01 H new ATOM 0 HA LYS A 78 -7.128 -9.770 -6.051 1.00 43.33 H new ATOM 0 HB2 LYS A 78 -7.502 -7.508 -5.492 1.00 52.15 H new ATOM 0 HB3 LYS A 78 -8.832 -8.458 -4.857 1.00 52.15 H new ATOM 0 HG2 LYS A 78 -6.751 -6.882 -3.405 1.00 10.10 H new ATOM 0 HG3 LYS A 78 -8.495 -6.867 -3.230 1.00 10.10 H new ATOM 0 HD2 LYS A 78 -8.288 -9.176 -2.176 1.00 34.22 H new ATOM 0 HD3 LYS A 78 -6.555 -8.919 -2.155 1.00 34.22 H new ATOM 0 HE2 LYS A 78 -8.460 -6.913 -0.934 1.00 73.53 H new ATOM 0 HE3 LYS A 78 -7.935 -8.327 -0.042 1.00 73.53 H new ATOM 0 HZ1 LYS A 78 -6.282 -7.058 0.614 1.00 31.32 H new ATOM 0 HZ2 LYS A 78 -5.612 -7.274 -0.932 1.00 31.32 H new ATOM 0 HZ3 LYS A 78 -6.546 -5.896 -0.596 1.00 31.32 H new ATOM 1224 N THR A 79 -4.623 -9.936 -5.633 1.00 33.51 N ATOM 1225 CA THR A 79 -3.187 -9.737 -5.473 1.00 5.04 C ATOM 1226 C THR A 79 -2.858 -8.243 -5.624 1.00 23.32 C ATOM 1227 O THR A 79 -3.134 -7.650 -6.664 1.00 23.43 O ATOM 1228 CB THR A 79 -2.396 -10.565 -6.495 1.00 5.31 C ATOM 1229 OG1 THR A 79 -3.145 -11.618 -7.085 1.00 44.24 O ATOM 1230 CG2 THR A 79 -1.161 -11.152 -5.823 1.00 74.41 C ATOM 0 H THR A 79 -4.895 -10.527 -6.418 1.00 33.51 H new ATOM 0 HA THR A 79 -2.896 -10.074 -4.478 1.00 5.04 H new ATOM 0 HB THR A 79 -2.126 -9.882 -7.300 1.00 5.31 H new ATOM 0 HG1 THR A 79 -2.582 -12.101 -7.725 1.00 44.24 H new ATOM 0 HG21 THR A 79 -0.598 -11.741 -6.547 1.00 74.41 H new ATOM 0 HG22 THR A 79 -0.534 -10.344 -5.445 1.00 74.41 H new ATOM 0 HG23 THR A 79 -1.467 -11.792 -4.995 1.00 74.41 H new ATOM 1238 N ILE A 80 -2.349 -7.609 -4.576 1.00 12.13 N ATOM 1239 CA ILE A 80 -1.927 -6.215 -4.567 1.00 34.52 C ATOM 1240 C ILE A 80 -0.711 -6.036 -5.491 1.00 73.31 C ATOM 1241 O ILE A 80 -0.102 -7.011 -5.942 1.00 13.34 O ATOM 1242 CB ILE A 80 -1.746 -5.772 -3.089 1.00 3.42 C ATOM 1243 CG1 ILE A 80 -3.037 -6.002 -2.256 1.00 1.03 C ATOM 1244 CG2 ILE A 80 -1.297 -4.319 -2.892 1.00 12.00 C ATOM 1245 CD1 ILE A 80 -4.294 -5.357 -2.859 1.00 32.50 C ATOM 0 H ILE A 80 -2.214 -8.069 -3.676 1.00 12.13 H new ATOM 0 HA ILE A 80 -2.676 -5.542 -4.984 1.00 34.52 H new ATOM 0 HB ILE A 80 -0.936 -6.409 -2.734 1.00 3.42 H new ATOM 0 HG12 ILE A 80 -3.205 -7.074 -2.154 1.00 1.03 H new ATOM 0 HG13 ILE A 80 -2.884 -5.606 -1.252 1.00 1.03 H new ATOM 0 HG21 ILE A 80 -1.200 -4.109 -1.827 1.00 12.00 H new ATOM 0 HG22 ILE A 80 -0.335 -4.166 -3.381 1.00 12.00 H new ATOM 0 HG23 ILE A 80 -2.037 -3.647 -3.328 1.00 12.00 H new ATOM 0 HD11 ILE A 80 -5.152 -5.563 -2.219 1.00 32.50 H new ATOM 0 HD12 ILE A 80 -4.149 -4.279 -2.935 1.00 32.50 H new ATOM 0 HD13 ILE A 80 -4.475 -5.770 -3.851 1.00 32.50 H new ATOM 1257 N ASN A 81 -0.399 -4.784 -5.826 1.00 62.24 N ATOM 1258 CA ASN A 81 0.670 -4.397 -6.744 1.00 34.41 C ATOM 1259 C ASN A 81 1.605 -3.387 -6.094 1.00 74.30 C ATOM 1260 O ASN A 81 1.266 -2.850 -5.039 1.00 4.33 O ATOM 1261 CB ASN A 81 0.070 -3.844 -8.048 1.00 73.34 C ATOM 1262 CG ASN A 81 0.427 -4.811 -9.158 1.00 31.13 C ATOM 1263 OD1 ASN A 81 1.580 -4.870 -9.562 1.00 1.20 O ATOM 1264 ND2 ASN A 81 -0.508 -5.630 -9.603 1.00 70.31 N ATOM 0 H ASN A 81 -0.904 -3.981 -5.450 1.00 62.24 H new ATOM 0 HA ASN A 81 1.261 -5.280 -6.986 1.00 34.41 H new ATOM 0 HB2 ASN A 81 -1.012 -3.743 -7.960 1.00 73.34 H new ATOM 0 HB3 ASN A 81 0.466 -2.851 -8.262 1.00 73.34 H new ATOM 0 HD21 ASN A 81 -0.277 -6.336 -10.302 1.00 70.31 H new ATOM 0 HD22 ASN A 81 -1.461 -5.557 -9.247 1.00 70.31 H new ATOM 1271 N VAL A 82 2.752 -3.119 -6.725 1.00 41.31 N ATOM 1272 CA VAL A 82 3.779 -2.217 -6.214 1.00 41.33 C ATOM 1273 C VAL A 82 4.123 -1.216 -7.322 1.00 33.15 C ATOM 1274 O VAL A 82 4.177 -1.568 -8.500 1.00 62.34 O ATOM 1275 CB VAL A 82 5.022 -3.012 -5.735 1.00 34.42 C ATOM 1276 CG1 VAL A 82 5.966 -2.123 -4.914 1.00 34.45 C ATOM 1277 CG2 VAL A 82 4.659 -4.224 -4.854 1.00 10.22 C ATOM 0 H VAL A 82 2.994 -3.534 -7.625 1.00 41.31 H new ATOM 0 HA VAL A 82 3.412 -1.673 -5.343 1.00 41.33 H new ATOM 0 HB VAL A 82 5.504 -3.362 -6.648 1.00 34.42 H new ATOM 0 HG11 VAL A 82 6.828 -2.707 -4.592 1.00 34.45 H new ATOM 0 HG12 VAL A 82 6.303 -1.287 -5.527 1.00 34.45 H new ATOM 0 HG13 VAL A 82 5.438 -1.742 -4.039 1.00 34.45 H new ATOM 0 HG21 VAL A 82 5.570 -4.739 -4.551 1.00 10.22 H new ATOM 0 HG22 VAL A 82 4.123 -3.883 -3.968 1.00 10.22 H new ATOM 0 HG23 VAL A 82 4.026 -4.908 -5.419 1.00 10.22 H new ATOM 1287 N GLU A 83 4.337 0.039 -6.945 1.00 52.41 N ATOM 1288 CA GLU A 83 4.843 1.140 -7.752 1.00 25.03 C ATOM 1289 C GLU A 83 5.618 2.053 -6.805 1.00 21.41 C ATOM 1290 O GLU A 83 5.466 1.973 -5.583 1.00 63.33 O ATOM 1291 CB GLU A 83 3.679 1.929 -8.361 1.00 34.03 C ATOM 1292 CG GLU A 83 3.291 1.526 -9.780 1.00 42.33 C ATOM 1293 CD GLU A 83 4.143 2.252 -10.814 1.00 2.52 C ATOM 1294 OE1 GLU A 83 3.630 3.207 -11.446 1.00 4.51 O ATOM 1295 OE2 GLU A 83 5.340 1.914 -10.954 1.00 63.42 O ATOM 0 H GLU A 83 4.145 0.336 -5.988 1.00 52.41 H new ATOM 0 HA GLU A 83 5.469 0.768 -8.563 1.00 25.03 H new ATOM 0 HB2 GLU A 83 2.807 1.814 -7.717 1.00 34.03 H new ATOM 0 HB3 GLU A 83 3.939 2.988 -8.360 1.00 34.03 H new ATOM 0 HG2 GLU A 83 3.409 0.449 -9.900 1.00 42.33 H new ATOM 0 HG3 GLU A 83 2.238 1.752 -9.950 1.00 42.33 H new ATOM 1302 N PHE A 84 6.412 2.949 -7.377 1.00 74.20 N ATOM 1303 CA PHE A 84 7.385 3.761 -6.645 1.00 51.20 C ATOM 1304 C PHE A 84 7.383 5.208 -7.131 1.00 25.01 C ATOM 1305 O PHE A 84 7.918 5.515 -8.202 1.00 11.15 O ATOM 1306 CB PHE A 84 8.774 3.124 -6.779 1.00 50.30 C ATOM 1307 CG PHE A 84 9.914 3.807 -6.040 1.00 1.43 C ATOM 1308 CD1 PHE A 84 9.756 4.250 -4.710 1.00 41.43 C ATOM 1309 CD2 PHE A 84 11.191 3.862 -6.635 1.00 13.35 C ATOM 1310 CE1 PHE A 84 10.869 4.720 -3.986 1.00 71.43 C ATOM 1311 CE2 PHE A 84 12.297 4.339 -5.915 1.00 42.40 C ATOM 1312 CZ PHE A 84 12.140 4.755 -4.582 1.00 12.53 C ATOM 0 H PHE A 84 6.400 3.138 -8.379 1.00 74.20 H new ATOM 0 HA PHE A 84 7.107 3.787 -5.591 1.00 51.20 H new ATOM 0 HB2 PHE A 84 8.711 2.094 -6.429 1.00 50.30 H new ATOM 0 HB3 PHE A 84 9.030 3.086 -7.838 1.00 50.30 H new ATOM 0 HD1 PHE A 84 8.781 4.229 -4.247 1.00 41.43 H new ATOM 0 HD2 PHE A 84 11.319 3.534 -7.656 1.00 13.35 H new ATOM 0 HE1 PHE A 84 10.744 5.055 -2.967 1.00 71.43 H new ATOM 0 HE2 PHE A 84 13.268 4.386 -6.385 1.00 42.40 H new ATOM 0 HZ PHE A 84 12.994 5.100 -4.018 1.00 12.53 H new ATOM 1322 N ALA A 85 6.783 6.104 -6.348 1.00 65.44 N ATOM 1323 CA ALA A 85 6.762 7.540 -6.581 1.00 34.45 C ATOM 1324 C ALA A 85 7.668 8.209 -5.546 1.00 45.13 C ATOM 1325 O ALA A 85 7.222 8.656 -4.486 1.00 44.24 O ATOM 1326 CB ALA A 85 5.316 8.041 -6.544 1.00 74.33 C ATOM 0 H ALA A 85 6.280 5.835 -5.502 1.00 65.44 H new ATOM 0 HA ALA A 85 7.149 7.795 -7.568 1.00 34.45 H new ATOM 0 HB1 ALA A 85 5.299 9.117 -6.718 1.00 74.33 H new ATOM 0 HB2 ALA A 85 4.737 7.539 -7.319 1.00 74.33 H new ATOM 0 HB3 ALA A 85 4.881 7.825 -5.568 1.00 74.33 H new ATOM 1332 N LYS A 86 8.965 8.247 -5.847 1.00 24.02 N ATOM 1333 CA LYS A 86 9.984 8.906 -5.046 1.00 30.43 C ATOM 1334 C LYS A 86 10.125 10.343 -5.554 1.00 73.44 C ATOM 1335 O LYS A 86 11.064 10.670 -6.277 1.00 12.12 O ATOM 1336 CB LYS A 86 11.295 8.094 -5.134 1.00 44.41 C ATOM 1337 CG LYS A 86 12.153 8.129 -3.861 1.00 24.45 C ATOM 1338 CD LYS A 86 12.178 9.486 -3.150 1.00 44.22 C ATOM 1339 CE LYS A 86 13.435 9.680 -2.302 1.00 71.44 C ATOM 1340 NZ LYS A 86 13.223 10.729 -1.294 1.00 32.13 N ATOM 0 H LYS A 86 9.344 7.804 -6.684 1.00 24.02 H new ATOM 0 HA LYS A 86 9.714 8.951 -3.991 1.00 30.43 H new ATOM 0 HB2 LYS A 86 11.050 7.057 -5.364 1.00 44.41 H new ATOM 0 HB3 LYS A 86 11.887 8.474 -5.967 1.00 44.41 H new ATOM 0 HG2 LYS A 86 11.781 7.376 -3.166 1.00 24.45 H new ATOM 0 HG3 LYS A 86 13.174 7.849 -4.118 1.00 24.45 H new ATOM 0 HD2 LYS A 86 12.118 10.282 -3.892 1.00 44.22 H new ATOM 0 HD3 LYS A 86 11.297 9.576 -2.514 1.00 44.22 H new ATOM 0 HE2 LYS A 86 13.696 8.743 -1.810 1.00 71.44 H new ATOM 0 HE3 LYS A 86 14.275 9.949 -2.943 1.00 71.44 H new ATOM 0 HZ1 LYS A 86 14.127 10.953 -0.831 1.00 32.13 H new ATOM 0 HZ2 LYS A 86 12.849 11.583 -1.755 1.00 32.13 H new ATOM 0 HZ3 LYS A 86 12.543 10.394 -0.582 1.00 32.13 H new