USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 75:sc= 0.00478 USER MOD Single : A 14 HIS : no HE2:sc= -0.883 K(o=-0.88,f=-3.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00539 X(o=-0.0054,f=0.0033) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= -1.15 (180deg=-3.25!) USER MOD Single : A 19 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 22 HIS : no HD1:sc= -0.533 K(o=-0.53,f=0.065) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.119 USER MOD Single : A 35 GLN : amide:sc= -2.15 K(o=-2.2,f=-1.3) USER MOD Single : A 39 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.065) USER MOD Single : A 49 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00486) USER MOD Single : A 60 SER OG : rot 20:sc= 0.602 USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.602) USER MOD Single : A 64 MET CE :methyl -174:sc= 0 (180deg=-0.089) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.0786 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 77 CYS SG : rot 143:sc= -7.56! USER MOD Single : A 80 MET CE :methyl -123:sc= 0 (180deg=-1.02) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.195 10.916 11.197 1.00 0.00 N ATOM 60 CA GLY A 7 5.091 10.015 10.917 1.00 0.00 C ATOM 61 C GLY A 7 3.745 10.709 10.990 1.00 0.00 C ATOM 62 O GLY A 7 3.674 11.931 11.125 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.221 9.583 9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.110 9.189 11.629 1.00 0.00 H new ATOM 66 N LEU A 8 2.674 9.928 10.897 1.00 0.00 N ATOM 67 CA LEU A 8 1.323 10.475 10.951 1.00 0.00 C ATOM 68 C LEU A 8 0.360 9.484 11.599 1.00 0.00 C ATOM 69 O LEU A 8 0.575 8.272 11.554 1.00 0.00 O ATOM 70 CB LEU A 8 0.838 10.828 9.544 1.00 0.00 C ATOM 71 CG LEU A 8 0.839 9.686 8.527 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.258 9.891 7.494 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.198 9.577 7.851 1.00 0.00 C ATOM 0 H LEU A 8 2.715 8.915 10.784 1.00 0.00 H new ATOM 0 HA LEU A 8 1.348 11.380 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.176 11.220 9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.463 11.633 9.157 1.00 0.00 H new ATOM 0 HG LEU A 8 0.642 8.753 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.242 9.069 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.227 9.919 7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.092 10.832 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.181 8.759 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.424 10.510 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.964 9.383 8.602 1.00 0.00 H new ATOM 85 N THR A 9 -0.703 10.007 12.201 1.00 0.00 N ATOM 86 CA THR A 9 -1.699 9.170 12.857 1.00 0.00 C ATOM 87 C THR A 9 -2.926 8.979 11.973 1.00 0.00 C ATOM 88 O THR A 9 -3.798 9.845 11.907 1.00 0.00 O ATOM 89 CB THR A 9 -2.141 9.773 14.204 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.047 9.760 15.129 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.312 8.996 14.786 1.00 0.00 C ATOM 0 H THR A 9 -0.896 11.007 12.248 1.00 0.00 H new ATOM 0 HA THR A 9 -1.229 8.203 13.036 1.00 0.00 H new ATOM 0 HB THR A 9 -2.458 10.801 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.335 10.146 15.982 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.607 9.440 15.737 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.153 9.031 14.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.017 7.959 14.946 1.00 0.00 H new ATOM 99 N VAL A 10 -2.988 7.838 11.293 1.00 0.00 N ATOM 100 CA VAL A 10 -4.110 7.532 10.413 1.00 0.00 C ATOM 101 C VAL A 10 -4.767 6.212 10.799 1.00 0.00 C ATOM 102 O VAL A 10 -4.087 5.227 11.089 1.00 0.00 O ATOM 103 CB VAL A 10 -3.664 7.459 8.941 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.384 6.648 8.809 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.769 6.869 8.078 1.00 0.00 C ATOM 0 H VAL A 10 -2.274 7.110 11.335 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.832 8.341 10.527 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.462 8.471 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.085 6.608 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.594 7.118 9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.555 5.636 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.436 6.825 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.005 5.864 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.658 7.495 8.147 1.00 0.00 H new ATOM 115 N THR A 11 -6.097 6.198 10.802 1.00 0.00 N ATOM 116 CA THR A 11 -6.848 5.000 11.154 1.00 0.00 C ATOM 117 C THR A 11 -7.056 4.105 9.937 1.00 0.00 C ATOM 118 O THR A 11 -7.076 4.579 8.801 1.00 0.00 O ATOM 119 CB THR A 11 -8.220 5.353 11.758 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.045 6.014 13.016 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.065 4.103 11.948 1.00 0.00 C ATOM 0 H THR A 11 -6.676 7.004 10.564 1.00 0.00 H new ATOM 0 HA THR A 11 -6.259 4.465 11.899 1.00 0.00 H new ATOM 0 HB THR A 11 -8.737 6.019 11.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.922 6.237 13.393 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.029 4.377 12.376 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.220 3.619 10.984 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.552 3.416 12.621 1.00 0.00 H new ATOM 129 N VAL A 12 -7.213 2.808 10.182 1.00 0.00 N ATOM 130 CA VAL A 12 -7.422 1.847 9.106 1.00 0.00 C ATOM 131 C VAL A 12 -8.667 1.003 9.357 1.00 0.00 C ATOM 132 O VAL A 12 -8.711 0.203 10.292 1.00 0.00 O ATOM 133 CB VAL A 12 -6.207 0.914 8.942 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.586 -0.321 8.139 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.052 1.654 8.285 1.00 0.00 C ATOM 0 H VAL A 12 -7.199 2.399 11.116 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.555 2.422 8.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.884 0.589 9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.715 -0.968 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.379 -0.862 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.936 -0.020 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.202 0.980 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.360 2.010 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.765 2.503 8.905 1.00 0.00 H new ATOM 145 N THR A 13 -9.679 1.186 8.514 1.00 0.00 N ATOM 146 CA THR A 13 -10.925 0.442 8.645 1.00 0.00 C ATOM 147 C THR A 13 -10.799 -0.953 8.044 1.00 0.00 C ATOM 148 O THR A 13 -10.802 -1.117 6.823 1.00 0.00 O ATOM 149 CB THR A 13 -12.093 1.179 7.961 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.125 2.546 8.385 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.420 0.511 8.288 1.00 0.00 C ATOM 0 H THR A 13 -9.660 1.843 7.734 1.00 0.00 H new ATOM 0 HA THR A 13 -11.132 0.357 9.712 1.00 0.00 H new ATOM 0 HB THR A 13 -11.939 1.137 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.408 3.044 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.229 1.049 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.404 -0.521 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.579 0.526 9.366 1.00 0.00 H new ATOM 159 N HIS A 14 -10.688 -1.957 8.908 1.00 0.00 N ATOM 160 CA HIS A 14 -10.562 -3.340 8.462 1.00 0.00 C ATOM 161 C HIS A 14 -11.567 -4.236 9.179 1.00 0.00 C ATOM 162 O HIS A 14 -11.914 -3.995 10.335 1.00 0.00 O ATOM 163 CB HIS A 14 -9.141 -3.849 8.707 1.00 0.00 C ATOM 164 CG HIS A 14 -8.863 -5.177 8.073 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.893 -6.366 8.771 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.550 -5.500 6.796 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.609 -7.362 7.952 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.397 -6.864 6.747 1.00 0.00 N ATOM 0 H HIS A 14 -10.683 -1.839 9.921 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.772 -3.372 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.430 -3.117 8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.971 -3.926 9.781 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.102 -6.461 9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.441 -4.813 5.970 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.559 -8.407 8.222 1.00 0.00 H new ATOM 177 N SER A 15 -12.032 -5.269 8.484 1.00 0.00 N ATOM 178 CA SER A 15 -13.001 -6.199 9.053 1.00 0.00 C ATOM 179 C SER A 15 -14.185 -5.448 9.654 1.00 0.00 C ATOM 180 O SER A 15 -14.776 -5.887 10.640 1.00 0.00 O ATOM 181 CB SER A 15 -12.338 -7.069 10.123 1.00 0.00 C ATOM 182 OG SER A 15 -12.971 -8.333 10.216 1.00 0.00 O ATOM 0 H SER A 15 -11.754 -5.483 7.526 1.00 0.00 H new ATOM 0 HA SER A 15 -13.368 -6.839 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.283 -7.204 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.385 -6.563 11.088 1.00 0.00 H new ATOM 0 HG SER A 15 -12.528 -8.871 10.905 1.00 0.00 H new ATOM 188 N ASN A 16 -14.525 -4.313 9.053 1.00 0.00 N ATOM 189 CA ASN A 16 -15.639 -3.500 9.528 1.00 0.00 C ATOM 190 C ASN A 16 -15.367 -2.975 10.935 1.00 0.00 C ATOM 191 O ASN A 16 -16.283 -2.843 11.746 1.00 0.00 O ATOM 192 CB ASN A 16 -16.934 -4.315 9.518 1.00 0.00 C ATOM 193 CG ASN A 16 -18.166 -3.440 9.392 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.742 -3.012 10.393 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.577 -3.170 8.159 1.00 0.00 N ATOM 0 H ASN A 16 -14.045 -3.935 8.236 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.748 -2.649 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.908 -5.023 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.999 -4.900 10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.401 -2.587 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.069 -3.546 7.358 1.00 0.00 H new ATOM 202 N GLU A 17 -14.102 -2.676 11.215 1.00 0.00 N ATOM 203 CA GLU A 17 -13.710 -2.165 12.523 1.00 0.00 C ATOM 204 C GLU A 17 -12.827 -0.929 12.383 1.00 0.00 C ATOM 205 O GLU A 17 -12.592 -0.441 11.276 1.00 0.00 O ATOM 206 CB GLU A 17 -12.972 -3.245 13.317 1.00 0.00 C ATOM 207 CG GLU A 17 -13.831 -4.456 13.641 1.00 0.00 C ATOM 208 CD GLU A 17 -14.576 -4.309 14.953 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.954 -3.864 15.941 1.00 0.00 O ATOM 210 OE2 GLU A 17 -15.780 -4.638 14.993 1.00 0.00 O ATOM 0 H GLU A 17 -13.332 -2.779 10.554 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.616 -1.884 13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.100 -3.570 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.603 -2.812 14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.549 -4.614 12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.200 -5.344 13.684 1.00 0.00 H new ATOM 217 N LYS A 18 -12.339 -0.426 13.512 1.00 0.00 N ATOM 218 CA LYS A 18 -11.480 0.753 13.517 1.00 0.00 C ATOM 219 C LYS A 18 -10.180 0.475 14.264 1.00 0.00 C ATOM 220 O LYS A 18 -10.190 -0.081 15.363 1.00 0.00 O ATOM 221 CB LYS A 18 -12.208 1.936 14.159 1.00 0.00 C ATOM 222 CG LYS A 18 -11.566 3.279 13.860 1.00 0.00 C ATOM 223 CD LYS A 18 -11.975 4.332 14.877 1.00 0.00 C ATOM 224 CE LYS A 18 -11.263 4.130 16.206 1.00 0.00 C ATOM 225 NZ LYS A 18 -12.013 3.206 17.102 1.00 0.00 N ATOM 0 H LYS A 18 -12.524 -0.817 14.436 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.238 1.001 12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.240 1.950 13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.240 1.790 15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.481 3.173 13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.853 3.606 12.861 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.746 5.324 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.053 4.291 15.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.265 3.731 16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.137 5.093 16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.014 3.586 18.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.992 3.114 16.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.556 2.272 17.098 1.00 0.00 H new ATOM 239 N HIS A 19 -9.062 0.868 13.662 1.00 0.00 N ATOM 240 CA HIS A 19 -7.753 0.663 14.273 1.00 0.00 C ATOM 241 C HIS A 19 -6.826 1.838 13.978 1.00 0.00 C ATOM 242 O HIS A 19 -6.541 2.141 12.820 1.00 0.00 O ATOM 243 CB HIS A 19 -7.126 -0.635 13.763 1.00 0.00 C ATOM 244 CG HIS A 19 -8.000 -1.837 13.954 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.045 -2.556 15.130 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.866 -2.445 13.111 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.900 -3.554 15.001 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.412 -3.509 13.785 1.00 0.00 N ATOM 0 H HIS A 19 -9.036 1.330 12.753 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.891 0.592 15.352 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.898 -0.527 12.703 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.179 -0.799 14.278 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.087 -2.148 12.096 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.140 -4.283 15.761 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.101 -4.159 13.408 1.00 0.00 H new ATOM 257 N ASP A 20 -6.361 2.497 15.034 1.00 0.00 N ATOM 258 CA ASP A 20 -5.466 3.640 14.889 1.00 0.00 C ATOM 259 C ASP A 20 -4.017 3.181 14.750 1.00 0.00 C ATOM 260 O ASP A 20 -3.497 2.464 15.606 1.00 0.00 O ATOM 261 CB ASP A 20 -5.604 4.579 16.088 1.00 0.00 C ATOM 262 CG ASP A 20 -5.104 3.952 17.375 1.00 0.00 C ATOM 263 OD1 ASP A 20 -5.764 3.017 17.874 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.054 4.397 17.883 1.00 0.00 O ATOM 0 H ASP A 20 -6.589 2.260 15.999 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.747 4.177 13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.047 5.496 15.894 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.650 4.860 16.207 1.00 0.00 H new ATOM 269 N LEU A 21 -3.371 3.599 13.667 1.00 0.00 N ATOM 270 CA LEU A 21 -1.982 3.231 13.415 1.00 0.00 C ATOM 271 C LEU A 21 -1.116 4.472 13.223 1.00 0.00 C ATOM 272 O LEU A 21 -1.579 5.491 12.709 1.00 0.00 O ATOM 273 CB LEU A 21 -1.888 2.333 12.181 1.00 0.00 C ATOM 274 CG LEU A 21 -2.927 1.215 12.082 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.898 0.579 10.702 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.687 0.168 13.160 1.00 0.00 C ATOM 0 H LEU A 21 -3.787 4.193 12.949 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.613 2.685 14.283 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.973 2.960 11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.896 1.882 12.159 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.915 1.648 12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.644 -0.214 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.120 1.335 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.909 0.160 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.435 -0.620 13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.693 -0.261 13.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.761 0.634 14.143 1.00 0.00 H new ATOM 288 N HIS A 22 0.143 4.378 13.637 1.00 0.00 N ATOM 289 CA HIS A 22 1.076 5.492 13.507 1.00 0.00 C ATOM 290 C HIS A 22 2.076 5.236 12.384 1.00 0.00 C ATOM 291 O HIS A 22 3.047 4.500 12.559 1.00 0.00 O ATOM 292 CB HIS A 22 1.818 5.719 14.825 1.00 0.00 C ATOM 293 CG HIS A 22 2.672 6.949 14.826 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.569 7.241 15.832 1.00 0.00 N ATOM 295 CD2 HIS A 22 2.764 7.964 13.936 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.175 8.383 15.561 1.00 0.00 C ATOM 297 NE2 HIS A 22 3.705 8.843 14.416 1.00 0.00 N ATOM 0 H HIS A 22 0.541 3.542 14.065 1.00 0.00 H new ATOM 0 HA HIS A 22 0.503 6.387 13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.091 5.790 15.634 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.444 4.852 15.034 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.202 8.065 13.019 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.927 8.860 16.172 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.993 9.710 13.962 1.00 0.00 H new ATOM 306 N VAL A 23 1.831 5.848 11.229 1.00 0.00 N ATOM 307 CA VAL A 23 2.709 5.686 10.077 1.00 0.00 C ATOM 308 C VAL A 23 4.022 6.435 10.278 1.00 0.00 C ATOM 309 O VAL A 23 4.030 7.638 10.541 1.00 0.00 O ATOM 310 CB VAL A 23 2.038 6.188 8.785 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.885 5.834 7.571 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.637 5.610 8.654 1.00 0.00 C ATOM 0 H VAL A 23 1.032 6.460 11.067 1.00 0.00 H new ATOM 0 HA VAL A 23 2.912 4.619 9.981 1.00 0.00 H new ATOM 0 HB VAL A 23 1.956 7.274 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.395 6.197 6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.866 6.300 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.001 4.752 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.177 5.975 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.694 4.522 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.035 5.918 9.509 1.00 0.00 H new ATOM 322 N THR A 24 5.133 5.715 10.153 1.00 0.00 N ATOM 323 CA THR A 24 6.453 6.311 10.321 1.00 0.00 C ATOM 324 C THR A 24 7.370 5.951 9.158 1.00 0.00 C ATOM 325 O THR A 24 7.214 4.903 8.532 1.00 0.00 O ATOM 326 CB THR A 24 7.110 5.856 11.638 1.00 0.00 C ATOM 327 OG1 THR A 24 6.967 4.440 11.794 1.00 0.00 O ATOM 328 CG2 THR A 24 6.485 6.568 12.828 1.00 0.00 C ATOM 0 H THR A 24 5.145 4.718 9.936 1.00 0.00 H new ATOM 0 HA THR A 24 6.312 7.391 10.348 1.00 0.00 H new ATOM 0 HB THR A 24 8.169 6.111 11.597 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.389 4.159 12.633 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.965 6.231 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.622 7.644 12.721 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.420 6.340 12.870 1.00 0.00 H new ATOM 336 N SER A 25 8.329 6.828 8.874 1.00 0.00 N ATOM 337 CA SER A 25 9.270 6.604 7.784 1.00 0.00 C ATOM 338 C SER A 25 10.250 5.487 8.132 1.00 0.00 C ATOM 339 O SER A 25 10.132 4.849 9.178 1.00 0.00 O ATOM 340 CB SER A 25 10.037 7.890 7.471 1.00 0.00 C ATOM 341 OG SER A 25 10.850 8.278 8.565 1.00 0.00 O ATOM 0 H SER A 25 8.474 7.699 9.384 1.00 0.00 H new ATOM 0 HA SER A 25 8.702 6.304 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.658 7.741 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.334 8.689 7.235 1.00 0.00 H new ATOM 0 HG SER A 25 11.331 9.101 8.339 1.00 0.00 H new ATOM 347 N GLN A 26 11.215 5.258 7.248 1.00 0.00 N ATOM 348 CA GLN A 26 12.215 4.218 7.461 1.00 0.00 C ATOM 349 C GLN A 26 13.554 4.825 7.866 1.00 0.00 C ATOM 350 O GLN A 26 14.600 4.448 7.339 1.00 0.00 O ATOM 351 CB GLN A 26 12.385 3.377 6.194 1.00 0.00 C ATOM 352 CG GLN A 26 11.264 2.373 5.975 1.00 0.00 C ATOM 353 CD GLN A 26 11.434 1.117 6.807 1.00 0.00 C ATOM 354 OE1 GLN A 26 12.041 0.142 6.362 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.899 1.134 8.022 1.00 0.00 N ATOM 0 H GLN A 26 11.326 5.778 6.378 1.00 0.00 H new ATOM 0 HA GLN A 26 11.868 3.576 8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.440 4.041 5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.334 2.844 6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.310 2.840 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.225 2.103 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.405 1.964 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.982 0.317 8.627 1.00 0.00 H new ATOM 364 N GLN A 27 13.512 5.765 8.804 1.00 0.00 N ATOM 365 CA GLN A 27 14.723 6.424 9.279 1.00 0.00 C ATOM 366 C GLN A 27 15.676 6.710 8.123 1.00 0.00 C ATOM 367 O GLN A 27 16.890 6.558 8.254 1.00 0.00 O ATOM 368 CB GLN A 27 15.421 5.560 10.330 1.00 0.00 C ATOM 369 CG GLN A 27 14.581 5.317 11.574 1.00 0.00 C ATOM 370 CD GLN A 27 15.311 4.498 12.620 1.00 0.00 C ATOM 371 OE1 GLN A 27 16.514 4.663 12.827 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.586 3.607 13.287 1.00 0.00 N ATOM 0 H GLN A 27 12.653 6.087 9.250 1.00 0.00 H new ATOM 0 HA GLN A 27 14.436 7.373 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.681 4.600 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.355 6.040 10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.292 6.275 12.005 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.662 4.804 11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.592 3.503 13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.023 3.027 14.003 1.00 0.00 H new ATOM 381 N GLY A 28 15.117 7.124 6.990 1.00 0.00 N ATOM 382 CA GLY A 28 15.932 7.423 5.827 1.00 0.00 C ATOM 383 C GLY A 28 15.267 8.415 4.893 1.00 0.00 C ATOM 384 O GLY A 28 15.928 9.291 4.335 1.00 0.00 O ATOM 0 H GLY A 28 14.115 7.258 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.892 7.823 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.139 6.500 5.285 1.00 0.00 H new ATOM 388 N SER A 29 13.956 8.277 4.721 1.00 0.00 N ATOM 389 CA SER A 29 13.203 9.165 3.844 1.00 0.00 C ATOM 390 C SER A 29 12.639 10.349 4.624 1.00 0.00 C ATOM 391 O SER A 29 12.122 10.189 5.729 1.00 0.00 O ATOM 392 CB SER A 29 12.066 8.400 3.164 1.00 0.00 C ATOM 393 OG SER A 29 12.555 7.594 2.106 1.00 0.00 O ATOM 0 H SER A 29 13.394 7.559 5.178 1.00 0.00 H new ATOM 0 HA SER A 29 13.883 9.545 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.556 7.774 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.329 9.105 2.778 1.00 0.00 H new ATOM 0 HG SER A 29 11.809 7.114 1.689 1.00 0.00 H new ATOM 399 N SER A 30 12.743 11.538 4.039 1.00 0.00 N ATOM 400 CA SER A 30 12.248 12.751 4.680 1.00 0.00 C ATOM 401 C SER A 30 10.846 12.534 5.243 1.00 0.00 C ATOM 402 O SER A 30 10.578 12.845 6.403 1.00 0.00 O ATOM 403 CB SER A 30 12.235 13.911 3.682 1.00 0.00 C ATOM 404 OG SER A 30 11.371 13.637 2.593 1.00 0.00 O ATOM 0 H SER A 30 13.165 11.687 3.123 1.00 0.00 H new ATOM 0 HA SER A 30 12.918 12.997 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.914 14.823 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.245 14.089 3.313 1.00 0.00 H new ATOM 0 HG SER A 30 11.379 14.394 1.971 1.00 0.00 H new ATOM 410 N GLU A 31 9.957 11.999 4.412 1.00 0.00 N ATOM 411 CA GLU A 31 8.584 11.741 4.827 1.00 0.00 C ATOM 412 C GLU A 31 8.167 10.316 4.475 1.00 0.00 C ATOM 413 O GLU A 31 8.640 9.727 3.503 1.00 0.00 O ATOM 414 CB GLU A 31 7.632 12.741 4.166 1.00 0.00 C ATOM 415 CG GLU A 31 7.620 12.658 2.649 1.00 0.00 C ATOM 416 CD GLU A 31 6.371 13.264 2.041 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.362 14.489 1.799 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.401 12.513 1.807 1.00 0.00 O ATOM 0 H GLU A 31 10.163 11.736 3.448 1.00 0.00 H new ATOM 0 HA GLU A 31 8.530 11.859 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.622 12.570 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.915 13.751 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.497 13.171 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.697 11.614 2.346 1.00 0.00 H new ATOM 425 N PRO A 32 7.261 9.748 5.285 1.00 0.00 N ATOM 426 CA PRO A 32 6.761 8.385 5.080 1.00 0.00 C ATOM 427 C PRO A 32 5.872 8.274 3.845 1.00 0.00 C ATOM 428 O PRO A 32 5.228 9.242 3.442 1.00 0.00 O ATOM 429 CB PRO A 32 5.950 8.111 6.348 1.00 0.00 C ATOM 430 CG PRO A 32 5.537 9.458 6.833 1.00 0.00 C ATOM 431 CD PRO A 32 6.655 10.392 6.462 1.00 0.00 C ATOM 0 HA PRO A 32 7.570 7.674 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.084 7.484 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.547 7.588 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.600 9.769 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.375 9.452 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.284 11.390 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.373 10.502 7.274 1.00 0.00 H new ATOM 439 N VAL A 33 5.842 7.086 3.249 1.00 0.00 N ATOM 440 CA VAL A 33 5.031 6.847 2.061 1.00 0.00 C ATOM 441 C VAL A 33 4.123 5.638 2.249 1.00 0.00 C ATOM 442 O VAL A 33 4.104 5.022 3.315 1.00 0.00 O ATOM 443 CB VAL A 33 5.911 6.626 0.816 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.838 7.812 0.599 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.706 5.335 0.948 1.00 0.00 C ATOM 0 H VAL A 33 6.370 6.274 3.569 1.00 0.00 H new ATOM 0 HA VAL A 33 4.419 7.737 1.911 1.00 0.00 H new ATOM 0 HB VAL A 33 5.262 6.539 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.452 7.637 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.245 8.716 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.482 7.934 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.322 5.195 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.346 5.390 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.020 4.494 1.050 1.00 0.00 H new ATOM 455 N VAL A 34 3.371 5.301 1.207 1.00 0.00 N ATOM 456 CA VAL A 34 2.460 4.163 1.256 1.00 0.00 C ATOM 457 C VAL A 34 3.170 2.914 1.765 1.00 0.00 C ATOM 458 O VAL A 34 2.635 2.181 2.596 1.00 0.00 O ATOM 459 CB VAL A 34 1.855 3.868 -0.129 1.00 0.00 C ATOM 460 CG1 VAL A 34 1.101 2.547 -0.112 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.944 5.006 -0.565 1.00 0.00 C ATOM 0 H VAL A 34 3.374 5.800 0.317 1.00 0.00 H new ATOM 0 HA VAL A 34 1.658 4.428 1.945 1.00 0.00 H new ATOM 0 HB VAL A 34 2.667 3.786 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.680 2.355 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.785 1.741 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.296 2.597 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.525 4.781 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.136 5.122 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.518 5.931 -0.619 1.00 0.00 H new ATOM 471 N GLN A 35 4.376 2.678 1.261 1.00 0.00 N ATOM 472 CA GLN A 35 5.159 1.516 1.665 1.00 0.00 C ATOM 473 C GLN A 35 5.129 1.340 3.179 1.00 0.00 C ATOM 474 O GLN A 35 5.056 0.218 3.682 1.00 0.00 O ATOM 475 CB GLN A 35 6.605 1.657 1.185 1.00 0.00 C ATOM 476 CG GLN A 35 7.282 0.327 0.894 1.00 0.00 C ATOM 477 CD GLN A 35 7.275 -0.605 2.090 1.00 0.00 C ATOM 478 OE1 GLN A 35 8.070 -0.449 3.017 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.374 -1.580 2.076 1.00 0.00 N ATOM 0 H GLN A 35 4.833 3.276 0.572 1.00 0.00 H new ATOM 0 HA GLN A 35 4.715 0.633 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.622 2.269 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.180 2.190 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.778 -0.158 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.312 0.508 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.734 -1.672 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.321 -2.237 2.854 1.00 0.00 H new ATOM 488 N ASP A 36 5.187 2.453 3.901 1.00 0.00 N ATOM 489 CA ASP A 36 5.165 2.422 5.359 1.00 0.00 C ATOM 490 C ASP A 36 3.788 2.013 5.873 1.00 0.00 C ATOM 491 O ASP A 36 3.672 1.172 6.766 1.00 0.00 O ATOM 492 CB ASP A 36 5.549 3.789 5.926 1.00 0.00 C ATOM 493 CG ASP A 36 7.003 4.134 5.670 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.879 3.330 6.052 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.266 5.208 5.090 1.00 0.00 O ATOM 0 H ASP A 36 5.250 3.389 3.500 1.00 0.00 H new ATOM 0 HA ASP A 36 5.892 1.682 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.913 4.555 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.359 3.800 6.999 1.00 0.00 H new ATOM 500 N LEU A 37 2.748 2.613 5.306 1.00 0.00 N ATOM 501 CA LEU A 37 1.378 2.313 5.708 1.00 0.00 C ATOM 502 C LEU A 37 1.102 0.815 5.620 1.00 0.00 C ATOM 503 O LEU A 37 0.645 0.201 6.584 1.00 0.00 O ATOM 504 CB LEU A 37 0.388 3.078 4.828 1.00 0.00 C ATOM 505 CG LEU A 37 -0.995 2.446 4.668 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.699 2.356 6.013 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.833 3.242 3.678 1.00 0.00 C ATOM 0 H LEU A 37 2.827 3.311 4.566 1.00 0.00 H new ATOM 0 HA LEU A 37 1.252 2.628 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.263 4.078 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.828 3.196 3.838 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.869 1.436 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.682 1.904 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.107 1.744 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.814 3.356 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.814 2.778 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.950 4.264 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.336 3.255 2.708 1.00 0.00 H new ATOM 519 N ALA A 38 1.383 0.233 4.459 1.00 0.00 N ATOM 520 CA ALA A 38 1.168 -1.193 4.248 1.00 0.00 C ATOM 521 C ALA A 38 1.878 -2.019 5.315 1.00 0.00 C ATOM 522 O ALA A 38 1.313 -2.970 5.853 1.00 0.00 O ATOM 523 CB ALA A 38 1.644 -1.598 2.860 1.00 0.00 C ATOM 0 H ALA A 38 1.760 0.727 3.650 1.00 0.00 H new ATOM 0 HA ALA A 38 0.099 -1.390 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.478 -2.665 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.088 -1.039 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.707 -1.380 2.762 1.00 0.00 H new ATOM 529 N GLN A 39 3.120 -1.649 5.614 1.00 0.00 N ATOM 530 CA GLN A 39 3.906 -2.359 6.616 1.00 0.00 C ATOM 531 C GLN A 39 3.291 -2.202 8.003 1.00 0.00 C ATOM 532 O GLN A 39 3.209 -3.162 8.769 1.00 0.00 O ATOM 533 CB GLN A 39 5.346 -1.842 6.624 1.00 0.00 C ATOM 534 CG GLN A 39 6.235 -2.504 5.583 1.00 0.00 C ATOM 535 CD GLN A 39 6.577 -3.939 5.935 1.00 0.00 C ATOM 536 OE1 GLN A 39 6.446 -4.841 5.107 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.018 -4.157 7.168 1.00 0.00 N ATOM 0 H GLN A 39 3.602 -0.863 5.177 1.00 0.00 H new ATOM 0 HA GLN A 39 3.907 -3.418 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.338 -0.766 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.776 -2.003 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.734 -2.481 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.156 -1.930 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.111 -3.379 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.264 -5.102 7.462 1.00 0.00 H new ATOM 546 N VAL A 40 2.858 -0.985 8.319 1.00 0.00 N ATOM 547 CA VAL A 40 2.249 -0.703 9.613 1.00 0.00 C ATOM 548 C VAL A 40 1.047 -1.607 9.863 1.00 0.00 C ATOM 549 O VAL A 40 0.770 -1.989 11.000 1.00 0.00 O ATOM 550 CB VAL A 40 1.801 0.768 9.714 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.954 0.984 10.958 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.009 1.693 9.713 1.00 0.00 C ATOM 0 H VAL A 40 2.918 -0.179 7.696 1.00 0.00 H new ATOM 0 HA VAL A 40 3.009 -0.896 10.370 1.00 0.00 H new ATOM 0 HB VAL A 40 1.190 1.005 8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.647 2.028 11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.070 0.348 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.537 0.731 11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.675 2.728 9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.648 1.458 10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.571 1.557 8.789 1.00 0.00 H new ATOM 562 N VAL A 41 0.335 -1.946 8.793 1.00 0.00 N ATOM 563 CA VAL A 41 -0.837 -2.807 8.896 1.00 0.00 C ATOM 564 C VAL A 41 -0.438 -4.243 9.215 1.00 0.00 C ATOM 565 O VAL A 41 -0.852 -4.801 10.231 1.00 0.00 O ATOM 566 CB VAL A 41 -1.660 -2.792 7.594 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.669 -3.931 7.587 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.358 -1.451 7.421 1.00 0.00 C ATOM 0 H VAL A 41 0.549 -1.637 7.845 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.448 -2.414 9.709 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.981 -2.934 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.241 -3.904 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.144 -4.883 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.346 -3.823 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.935 -1.458 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.026 -1.277 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.613 -0.656 7.378 1.00 0.00 H new ATOM 578 N GLU A 42 0.370 -4.835 8.341 1.00 0.00 N ATOM 579 CA GLU A 42 0.825 -6.208 8.531 1.00 0.00 C ATOM 580 C GLU A 42 1.652 -6.335 9.807 1.00 0.00 C ATOM 581 O GLU A 42 1.880 -7.438 10.303 1.00 0.00 O ATOM 582 CB GLU A 42 1.651 -6.665 7.327 1.00 0.00 C ATOM 583 CG GLU A 42 2.108 -8.112 7.417 1.00 0.00 C ATOM 584 CD GLU A 42 2.946 -8.534 6.226 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.389 -7.645 5.468 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.158 -9.752 6.051 1.00 0.00 O ATOM 0 H GLU A 42 0.723 -4.386 7.496 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.054 -6.846 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.059 -6.535 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.526 -6.022 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.686 -8.250 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.235 -8.761 7.491 1.00 0.00 H new ATOM 593 N GLU A 43 2.098 -5.198 10.333 1.00 0.00 N ATOM 594 CA GLU A 43 2.901 -5.183 11.550 1.00 0.00 C ATOM 595 C GLU A 43 2.030 -4.909 12.772 1.00 0.00 C ATOM 596 O GLU A 43 2.267 -5.452 13.852 1.00 0.00 O ATOM 597 CB GLU A 43 4.002 -4.127 11.448 1.00 0.00 C ATOM 598 CG GLU A 43 5.094 -4.480 10.451 1.00 0.00 C ATOM 599 CD GLU A 43 6.095 -5.472 11.010 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.651 -5.205 12.096 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.323 -6.514 10.362 1.00 0.00 O ATOM 0 H GLU A 43 1.917 -4.276 9.936 1.00 0.00 H new ATOM 0 HA GLU A 43 3.360 -6.165 11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.555 -3.175 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.451 -3.986 12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.639 -4.896 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.616 -3.571 10.153 1.00 0.00 H new ATOM 608 N VAL A 44 1.020 -4.063 12.595 1.00 0.00 N ATOM 609 CA VAL A 44 0.113 -3.716 13.682 1.00 0.00 C ATOM 610 C VAL A 44 -1.126 -4.604 13.669 1.00 0.00 C ATOM 611 O VAL A 44 -1.415 -5.297 14.645 1.00 0.00 O ATOM 612 CB VAL A 44 -0.325 -2.242 13.599 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.378 -1.937 14.654 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.876 -1.320 13.751 1.00 0.00 C ATOM 0 H VAL A 44 0.809 -3.605 11.708 1.00 0.00 H new ATOM 0 HA VAL A 44 0.659 -3.873 14.612 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.767 -2.067 12.618 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.675 -0.891 14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.248 -2.574 14.494 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.966 -2.128 15.645 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.548 -0.282 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.349 -1.495 14.717 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.593 -1.522 12.955 1.00 0.00 H new ATOM 624 N ILE A 45 -1.853 -4.579 12.557 1.00 0.00 N ATOM 625 CA ILE A 45 -3.060 -5.384 12.416 1.00 0.00 C ATOM 626 C ILE A 45 -2.731 -6.873 12.412 1.00 0.00 C ATOM 627 O ILE A 45 -3.185 -7.622 13.276 1.00 0.00 O ATOM 628 CB ILE A 45 -3.822 -5.035 11.124 1.00 0.00 C ATOM 629 CG1 ILE A 45 -4.208 -3.555 11.118 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.058 -5.911 10.985 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.926 -3.122 9.859 1.00 0.00 C ATOM 0 H ILE A 45 -1.627 -4.010 11.741 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.692 -5.156 13.274 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.169 -5.224 10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.845 -3.351 11.978 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.308 -2.953 11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.586 -5.652 10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.759 -6.959 10.949 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.716 -5.750 11.839 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.169 -2.061 9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.283 -3.294 8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.845 -3.698 9.748 1.00 0.00 H new ATOM 643 N GLY A 46 -1.935 -7.295 11.434 1.00 0.00 N ATOM 644 CA GLY A 46 -1.556 -8.693 11.337 1.00 0.00 C ATOM 645 C GLY A 46 -1.943 -9.307 10.006 1.00 0.00 C ATOM 646 O GLY A 46 -1.988 -10.529 9.868 1.00 0.00 O ATOM 0 H GLY A 46 -1.546 -6.694 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.479 -8.785 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.031 -9.252 12.143 1.00 0.00 H new ATOM 650 N VAL A 47 -2.224 -8.457 9.023 1.00 0.00 N ATOM 651 CA VAL A 47 -2.610 -8.923 7.697 1.00 0.00 C ATOM 652 C VAL A 47 -1.528 -8.611 6.669 1.00 0.00 C ATOM 653 O VAL A 47 -1.022 -7.492 6.584 1.00 0.00 O ATOM 654 CB VAL A 47 -3.935 -8.285 7.241 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.103 -8.418 5.735 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.110 -8.915 7.974 1.00 0.00 C ATOM 0 H VAL A 47 -2.191 -7.442 9.120 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.741 -10.003 7.767 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.909 -7.223 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.045 -7.961 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.278 -7.915 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.107 -9.473 5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.038 -8.452 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.140 -9.984 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.994 -8.761 9.047 1.00 0.00 H new ATOM 666 N PRO A 48 -1.165 -9.623 5.867 1.00 0.00 N ATOM 667 CA PRO A 48 -0.140 -9.482 4.829 1.00 0.00 C ATOM 668 C PRO A 48 -0.604 -8.603 3.672 1.00 0.00 C ATOM 669 O PRO A 48 -1.802 -8.479 3.418 1.00 0.00 O ATOM 670 CB PRO A 48 0.083 -10.919 4.352 1.00 0.00 C ATOM 671 CG PRO A 48 -1.193 -11.623 4.660 1.00 0.00 C ATOM 672 CD PRO A 48 -1.726 -10.984 5.912 1.00 0.00 C ATOM 0 HA PRO A 48 0.761 -9.000 5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.306 -10.952 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.925 -11.381 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.902 -11.523 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.025 -12.690 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.816 -10.969 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.406 -11.521 6.805 1.00 0.00 H new ATOM 680 N GLN A 49 0.351 -7.996 2.976 1.00 0.00 N ATOM 681 CA GLN A 49 0.039 -7.128 1.846 1.00 0.00 C ATOM 682 C GLN A 49 -0.704 -7.897 0.758 1.00 0.00 C ATOM 683 O GLN A 49 -1.209 -7.308 -0.197 1.00 0.00 O ATOM 684 CB GLN A 49 1.320 -6.521 1.273 1.00 0.00 C ATOM 685 CG GLN A 49 2.102 -5.690 2.278 1.00 0.00 C ATOM 686 CD GLN A 49 3.228 -4.904 1.635 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.263 -4.731 0.416 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.156 -4.422 2.453 1.00 0.00 N ATOM 0 H GLN A 49 1.347 -8.089 3.174 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.606 -6.326 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.958 -7.323 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.065 -5.896 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.423 -5.001 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.514 -6.347 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.088 -4.589 3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.937 -3.884 2.078 1.00 0.00 H new ATOM 697 N SER A 50 -0.766 -9.216 0.910 1.00 0.00 N ATOM 698 CA SER A 50 -1.444 -10.067 -0.061 1.00 0.00 C ATOM 699 C SER A 50 -2.877 -10.356 0.376 1.00 0.00 C ATOM 700 O SER A 50 -3.658 -10.948 -0.369 1.00 0.00 O ATOM 701 CB SER A 50 -0.679 -11.379 -0.243 1.00 0.00 C ATOM 702 OG SER A 50 0.632 -11.143 -0.727 1.00 0.00 O ATOM 0 H SER A 50 -0.355 -9.719 1.697 1.00 0.00 H new ATOM 0 HA SER A 50 -1.474 -9.537 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.629 -11.909 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.216 -12.023 -0.939 1.00 0.00 H new ATOM 0 HG SER A 50 1.100 -11.997 -0.833 1.00 0.00 H new ATOM 708 N PHE A 51 -3.214 -9.935 1.590 1.00 0.00 N ATOM 709 CA PHE A 51 -4.552 -10.149 2.129 1.00 0.00 C ATOM 710 C PHE A 51 -5.176 -8.830 2.577 1.00 0.00 C ATOM 711 O PHE A 51 -6.100 -8.813 3.389 1.00 0.00 O ATOM 712 CB PHE A 51 -4.502 -11.127 3.304 1.00 0.00 C ATOM 713 CG PHE A 51 -4.161 -12.533 2.900 1.00 0.00 C ATOM 714 CD1 PHE A 51 -2.992 -12.805 2.208 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.012 -13.582 3.210 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.676 -14.098 1.835 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.700 -14.877 2.840 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.532 -15.135 2.150 1.00 0.00 C ATOM 0 H PHE A 51 -2.579 -9.444 2.219 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.171 -10.573 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.765 -10.776 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.468 -11.127 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.320 -11.998 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.929 -13.386 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.761 -14.297 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.370 -15.687 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.288 -16.146 1.857 1.00 0.00 H new ATOM 728 N GLN A 52 -4.662 -7.727 2.041 1.00 0.00 N ATOM 729 CA GLN A 52 -5.168 -6.404 2.386 1.00 0.00 C ATOM 730 C GLN A 52 -5.180 -5.490 1.165 1.00 0.00 C ATOM 731 O GLN A 52 -4.314 -5.587 0.295 1.00 0.00 O ATOM 732 CB GLN A 52 -4.315 -5.783 3.494 1.00 0.00 C ATOM 733 CG GLN A 52 -2.886 -5.488 3.069 1.00 0.00 C ATOM 734 CD GLN A 52 -2.290 -4.305 3.808 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.754 -3.174 3.668 1.00 0.00 O ATOM 736 NE2 GLN A 52 -1.255 -4.562 4.599 1.00 0.00 N ATOM 0 H GLN A 52 -3.896 -7.724 1.367 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.192 -6.515 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.785 -4.857 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.299 -6.458 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.269 -6.369 3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.863 -5.291 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.903 -5.516 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.812 -3.806 5.121 1.00 0.00 H new ATOM 745 N LYS A 53 -6.167 -4.603 1.106 1.00 0.00 N ATOM 746 CA LYS A 53 -6.293 -3.670 -0.008 1.00 0.00 C ATOM 747 C LYS A 53 -6.634 -2.270 0.491 1.00 0.00 C ATOM 748 O LYS A 53 -7.703 -2.046 1.062 1.00 0.00 O ATOM 749 CB LYS A 53 -7.369 -4.152 -0.984 1.00 0.00 C ATOM 750 CG LYS A 53 -7.737 -3.123 -2.039 1.00 0.00 C ATOM 751 CD LYS A 53 -8.759 -3.672 -3.020 1.00 0.00 C ATOM 752 CE LYS A 53 -10.126 -3.830 -2.372 1.00 0.00 C ATOM 753 NZ LYS A 53 -11.230 -3.670 -3.358 1.00 0.00 N ATOM 0 H LYS A 53 -6.892 -4.510 1.817 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.334 -3.628 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.020 -5.058 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.264 -4.420 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.137 -2.232 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.841 -2.817 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.837 -3.004 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.421 -4.637 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.195 -4.813 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.239 -3.092 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.145 -3.785 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.180 -2.723 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.138 -4.390 -4.102 1.00 0.00 H new ATOM 767 N LEU A 54 -5.721 -1.330 0.272 1.00 0.00 N ATOM 768 CA LEU A 54 -5.926 0.050 0.698 1.00 0.00 C ATOM 769 C LEU A 54 -6.858 0.783 -0.261 1.00 0.00 C ATOM 770 O LEU A 54 -6.830 0.550 -1.470 1.00 0.00 O ATOM 771 CB LEU A 54 -4.586 0.782 0.784 1.00 0.00 C ATOM 772 CG LEU A 54 -3.890 0.750 2.146 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.796 1.329 3.221 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.477 -0.671 2.501 1.00 0.00 C ATOM 0 H LEU A 54 -4.832 -1.498 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.389 0.035 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.912 0.352 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.745 1.823 0.504 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.991 1.364 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.285 1.298 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.041 2.362 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.713 0.743 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.984 -0.674 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.361 -1.308 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.790 -1.050 1.744 1.00 0.00 H new ATOM 786 N ILE A 55 -7.682 1.671 0.285 1.00 0.00 N ATOM 787 CA ILE A 55 -8.620 2.441 -0.522 1.00 0.00 C ATOM 788 C ILE A 55 -8.853 3.825 0.075 1.00 0.00 C ATOM 789 O ILE A 55 -9.243 3.954 1.236 1.00 0.00 O ATOM 790 CB ILE A 55 -9.972 1.717 -0.657 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.754 0.223 -0.901 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.791 2.330 -1.784 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.021 -0.597 -0.802 1.00 0.00 C ATOM 0 H ILE A 55 -7.719 1.875 1.284 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.173 2.546 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.525 1.836 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.318 0.085 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.030 -0.153 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.744 1.807 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.972 3.383 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.244 2.239 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.791 -1.646 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.447 -0.489 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.739 -0.248 -1.544 1.00 0.00 H new ATOM 805 N PHE A 56 -8.614 4.857 -0.726 1.00 0.00 N ATOM 806 CA PHE A 56 -8.799 6.232 -0.277 1.00 0.00 C ATOM 807 C PHE A 56 -9.481 7.069 -1.356 1.00 0.00 C ATOM 808 O PHE A 56 -9.078 7.053 -2.519 1.00 0.00 O ATOM 809 CB PHE A 56 -7.451 6.856 0.092 1.00 0.00 C ATOM 810 CG PHE A 56 -7.575 8.183 0.785 1.00 0.00 C ATOM 811 CD1 PHE A 56 -7.757 8.248 2.157 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.509 9.365 0.065 1.00 0.00 C ATOM 813 CE1 PHE A 56 -7.872 9.467 2.798 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.623 10.587 0.700 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.803 10.638 2.068 1.00 0.00 C ATOM 0 H PHE A 56 -8.292 4.768 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.439 6.217 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.905 6.168 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.858 6.982 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.810 7.335 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.367 9.331 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.016 9.504 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.571 11.501 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.890 11.592 2.567 1.00 0.00 H new ATOM 825 N LYS A 57 -10.518 7.800 -0.961 1.00 0.00 N ATOM 826 CA LYS A 57 -11.257 8.645 -1.891 1.00 0.00 C ATOM 827 C LYS A 57 -11.903 7.808 -2.990 1.00 0.00 C ATOM 828 O LYS A 57 -12.072 8.271 -4.118 1.00 0.00 O ATOM 829 CB LYS A 57 -10.328 9.691 -2.511 1.00 0.00 C ATOM 830 CG LYS A 57 -9.939 10.803 -1.552 1.00 0.00 C ATOM 831 CD LYS A 57 -11.075 11.792 -1.353 1.00 0.00 C ATOM 832 CE LYS A 57 -10.642 12.976 -0.504 1.00 0.00 C ATOM 833 NZ LYS A 57 -9.916 13.999 -1.307 1.00 0.00 N ATOM 0 H LYS A 57 -10.866 7.824 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.045 9.153 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.424 9.197 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.816 10.128 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.657 10.373 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.063 11.326 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.424 12.147 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.917 11.290 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.518 13.431 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.000 12.627 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.638 14.790 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.066 13.572 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.537 14.351 -2.064 1.00 0.00 H new ATOM 847 N GLY A 58 -12.264 6.574 -2.654 1.00 0.00 N ATOM 848 CA GLY A 58 -12.889 5.693 -3.623 1.00 0.00 C ATOM 849 C GLY A 58 -11.896 5.131 -4.621 1.00 0.00 C ATOM 850 O GLY A 58 -12.279 4.648 -5.686 1.00 0.00 O ATOM 0 H GLY A 58 -12.135 6.168 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.378 4.871 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.667 6.239 -4.157 1.00 0.00 H new ATOM 854 N LYS A 59 -10.614 5.195 -4.277 1.00 0.00 N ATOM 855 CA LYS A 59 -9.561 4.689 -5.149 1.00 0.00 C ATOM 856 C LYS A 59 -8.607 3.780 -4.381 1.00 0.00 C ATOM 857 O LYS A 59 -8.053 4.173 -3.354 1.00 0.00 O ATOM 858 CB LYS A 59 -8.784 5.852 -5.772 1.00 0.00 C ATOM 859 CG LYS A 59 -9.630 6.736 -6.671 1.00 0.00 C ATOM 860 CD LYS A 59 -9.803 6.124 -8.051 1.00 0.00 C ATOM 861 CE LYS A 59 -8.538 6.259 -8.884 1.00 0.00 C ATOM 862 NZ LYS A 59 -8.382 7.634 -9.436 1.00 0.00 N ATOM 0 H LYS A 59 -10.279 5.593 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.030 4.106 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.357 6.461 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.950 5.453 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.608 6.890 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.163 7.717 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.064 5.070 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.632 6.611 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.671 6.013 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.563 5.540 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.536 7.672 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.221 7.879 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.281 8.312 -8.654 1.00 0.00 H new ATOM 876 N SER A 60 -8.419 2.565 -4.885 1.00 0.00 N ATOM 877 CA SER A 60 -7.534 1.600 -4.245 1.00 0.00 C ATOM 878 C SER A 60 -6.076 2.027 -4.379 1.00 0.00 C ATOM 879 O SER A 60 -5.625 2.406 -5.461 1.00 0.00 O ATOM 880 CB SER A 60 -7.729 0.212 -4.857 1.00 0.00 C ATOM 881 OG SER A 60 -7.108 -0.787 -4.067 1.00 0.00 O ATOM 0 H SER A 60 -8.868 2.225 -5.735 1.00 0.00 H new ATOM 0 HA SER A 60 -7.787 1.560 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.794 -0.002 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.313 0.194 -5.864 1.00 0.00 H new ATOM 0 HG SER A 60 -6.962 -0.444 -3.161 1.00 0.00 H new ATOM 887 N LEU A 61 -5.343 1.964 -3.273 1.00 0.00 N ATOM 888 CA LEU A 61 -3.934 2.344 -3.266 1.00 0.00 C ATOM 889 C LEU A 61 -3.044 1.141 -3.562 1.00 0.00 C ATOM 890 O LEU A 61 -2.989 0.189 -2.784 1.00 0.00 O ATOM 891 CB LEU A 61 -3.557 2.951 -1.914 1.00 0.00 C ATOM 892 CG LEU A 61 -4.498 4.029 -1.376 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.070 4.465 0.017 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.539 5.221 -2.321 1.00 0.00 C ATOM 0 H LEU A 61 -5.700 1.654 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.779 3.088 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.501 2.147 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.557 3.378 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.501 3.608 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.752 5.233 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.093 3.608 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.058 4.867 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.214 5.978 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.538 5.642 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.894 4.898 -3.299 1.00 0.00 H new ATOM 906 N LYS A 62 -2.347 1.192 -4.692 1.00 0.00 N ATOM 907 CA LYS A 62 -1.455 0.109 -5.091 1.00 0.00 C ATOM 908 C LYS A 62 0.004 0.541 -4.991 1.00 0.00 C ATOM 909 O LYS A 62 0.865 -0.240 -4.587 1.00 0.00 O ATOM 910 CB LYS A 62 -1.770 -0.337 -6.521 1.00 0.00 C ATOM 911 CG LYS A 62 -2.121 0.810 -7.453 1.00 0.00 C ATOM 912 CD LYS A 62 -3.614 1.093 -7.450 1.00 0.00 C ATOM 913 CE LYS A 62 -4.362 0.149 -8.379 1.00 0.00 C ATOM 914 NZ LYS A 62 -5.833 0.379 -8.338 1.00 0.00 N ATOM 0 H LYS A 62 -2.382 1.972 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.614 -0.729 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.909 -0.871 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.601 -1.042 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.579 1.706 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.797 0.570 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.003 0.992 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.791 2.124 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.002 0.283 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.148 -0.882 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.327 -0.536 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.075 0.928 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.126 0.906 -9.185 1.00 0.00 H new ATOM 928 N GLU A 63 0.274 1.789 -5.361 1.00 0.00 N ATOM 929 CA GLU A 63 1.630 2.323 -5.311 1.00 0.00 C ATOM 930 C GLU A 63 2.156 2.341 -3.879 1.00 0.00 C ATOM 931 O GLU A 63 1.475 2.799 -2.962 1.00 0.00 O ATOM 932 CB GLU A 63 1.667 3.736 -5.897 1.00 0.00 C ATOM 933 CG GLU A 63 1.260 3.800 -7.359 1.00 0.00 C ATOM 934 CD GLU A 63 1.865 4.988 -8.082 1.00 0.00 C ATOM 935 OE1 GLU A 63 3.108 5.046 -8.189 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.096 5.859 -8.540 1.00 0.00 O ATOM 0 H GLU A 63 -0.427 2.448 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 63 2.271 1.673 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.005 4.378 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.675 4.138 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.567 2.881 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.173 3.853 -7.428 1.00 0.00 H new ATOM 943 N MET A 64 3.372 1.837 -3.695 1.00 0.00 N ATOM 944 CA MET A 64 3.990 1.796 -2.375 1.00 0.00 C ATOM 945 C MET A 64 5.023 2.908 -2.223 1.00 0.00 C ATOM 946 O MET A 64 5.197 3.460 -1.137 1.00 0.00 O ATOM 947 CB MET A 64 4.651 0.436 -2.140 1.00 0.00 C ATOM 948 CG MET A 64 3.702 -0.739 -2.316 1.00 0.00 C ATOM 949 SD MET A 64 2.866 -1.192 -0.784 1.00 0.00 S ATOM 950 CE MET A 64 1.156 -0.910 -1.236 1.00 0.00 C ATOM 0 H MET A 64 3.948 1.452 -4.443 1.00 0.00 H new ATOM 0 HA MET A 64 3.208 1.946 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.487 0.324 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.064 0.411 -1.132 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.957 -0.489 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.259 -1.598 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.521 -1.043 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.043 0.106 -1.615 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.862 -1.620 -2.009 1.00 0.00 H new ATOM 960 N GLU A 65 5.704 3.232 -3.317 1.00 0.00 N ATOM 961 CA GLU A 65 6.720 4.278 -3.303 1.00 0.00 C ATOM 962 C GLU A 65 6.077 5.661 -3.371 1.00 0.00 C ATOM 963 O GLU A 65 6.764 6.681 -3.304 1.00 0.00 O ATOM 964 CB GLU A 65 7.688 4.096 -4.474 1.00 0.00 C ATOM 965 CG GLU A 65 7.100 4.494 -5.817 1.00 0.00 C ATOM 966 CD GLU A 65 6.380 3.348 -6.501 1.00 0.00 C ATOM 967 OE1 GLU A 65 6.984 2.264 -6.639 1.00 0.00 O ATOM 968 OE2 GLU A 65 5.211 3.537 -6.899 1.00 0.00 O ATOM 0 H GLU A 65 5.571 2.785 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 65 7.274 4.198 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.584 4.689 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.999 3.052 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.405 5.321 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.898 4.856 -6.466 1.00 0.00 H new ATOM 975 N THR A 66 4.755 5.687 -3.504 1.00 0.00 N ATOM 976 CA THR A 66 4.019 6.942 -3.582 1.00 0.00 C ATOM 977 C THR A 66 3.836 7.560 -2.201 1.00 0.00 C ATOM 978 O THR A 66 3.452 6.891 -1.241 1.00 0.00 O ATOM 979 CB THR A 66 2.636 6.743 -4.230 1.00 0.00 C ATOM 980 OG1 THR A 66 2.773 6.621 -5.650 1.00 0.00 O ATOM 981 CG2 THR A 66 1.713 7.908 -3.904 1.00 0.00 C ATOM 0 H THR A 66 4.172 4.852 -3.560 1.00 0.00 H new ATOM 0 HA THR A 66 4.610 7.616 -4.203 1.00 0.00 H new ATOM 0 HB THR A 66 2.199 5.829 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.913 6.812 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.742 7.745 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.587 7.981 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.148 8.833 -4.282 1.00 0.00 H new ATOM 989 N PRO A 67 4.117 8.867 -2.094 1.00 0.00 N ATOM 990 CA PRO A 67 3.989 9.603 -0.833 1.00 0.00 C ATOM 991 C PRO A 67 2.535 9.781 -0.410 1.00 0.00 C ATOM 992 O PRO A 67 1.694 10.207 -1.203 1.00 0.00 O ATOM 993 CB PRO A 67 4.623 10.960 -1.149 1.00 0.00 C ATOM 994 CG PRO A 67 4.476 11.113 -2.623 1.00 0.00 C ATOM 995 CD PRO A 67 4.580 9.727 -3.196 1.00 0.00 C ATOM 0 HA PRO A 67 4.464 9.077 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.119 11.766 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.671 10.986 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.518 11.568 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.253 11.762 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.959 9.612 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.602 9.489 -3.489 1.00 0.00 H new ATOM 1003 N LEU A 68 2.244 9.452 0.844 1.00 0.00 N ATOM 1004 CA LEU A 68 0.890 9.576 1.373 1.00 0.00 C ATOM 1005 C LEU A 68 0.360 10.994 1.187 1.00 0.00 C ATOM 1006 O LEU A 68 -0.849 11.223 1.207 1.00 0.00 O ATOM 1007 CB LEU A 68 0.864 9.200 2.856 1.00 0.00 C ATOM 1008 CG LEU A 68 1.299 7.773 3.194 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.931 7.721 4.576 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.114 6.821 3.111 1.00 0.00 C ATOM 0 H LEU A 68 2.927 9.097 1.513 1.00 0.00 H new ATOM 0 HA LEU A 68 0.246 8.892 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.508 9.893 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.149 9.348 3.230 1.00 0.00 H new ATOM 0 HG LEU A 68 2.045 7.458 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.234 6.698 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.805 8.372 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.208 8.055 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.442 5.810 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.654 7.134 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.295 6.836 2.101 1.00 0.00 H new ATOM 1022 N SER A 69 1.274 11.943 1.005 1.00 0.00 N ATOM 1023 CA SER A 69 0.899 13.339 0.818 1.00 0.00 C ATOM 1024 C SER A 69 0.276 13.554 -0.558 1.00 0.00 C ATOM 1025 O SER A 69 -0.652 14.347 -0.715 1.00 0.00 O ATOM 1026 CB SER A 69 2.121 14.244 0.983 1.00 0.00 C ATOM 1027 OG SER A 69 2.255 14.680 2.325 1.00 0.00 O ATOM 0 H SER A 69 2.279 11.770 0.983 1.00 0.00 H new ATOM 0 HA SER A 69 0.160 13.596 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.019 13.706 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.030 15.107 0.324 1.00 0.00 H new ATOM 0 HG SER A 69 3.044 15.255 2.405 1.00 0.00 H new ATOM 1033 N ALA A 70 0.793 12.841 -1.553 1.00 0.00 N ATOM 1034 CA ALA A 70 0.288 12.951 -2.916 1.00 0.00 C ATOM 1035 C ALA A 70 -1.141 12.427 -3.015 1.00 0.00 C ATOM 1036 O ALA A 70 -1.979 13.007 -3.706 1.00 0.00 O ATOM 1037 CB ALA A 70 1.196 12.199 -3.878 1.00 0.00 C ATOM 0 H ALA A 70 1.562 12.180 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 70 0.281 14.006 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.807 12.290 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.200 12.621 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.233 11.147 -3.596 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.412 11.326 -2.322 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.740 10.723 -2.332 1.00 0.00 C ATOM 1045 C LEU A 71 -3.737 11.587 -1.566 1.00 0.00 C ATOM 1046 O LEU A 71 -4.949 11.419 -1.697 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.690 9.321 -1.723 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.794 8.310 -2.439 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.414 7.175 -1.502 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.487 7.769 -3.681 1.00 0.00 C ATOM 0 H LEU A 71 -0.730 10.833 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.071 10.651 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.353 9.407 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.704 8.922 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.881 8.819 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.776 6.466 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.877 7.577 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.316 6.667 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.835 7.051 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.416 7.277 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.707 8.591 -4.362 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.217 12.515 -0.768 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.075 13.393 0.006 1.00 0.00 C ATOM 1064 C GLY A 72 -4.218 12.943 1.446 1.00 0.00 C ATOM 1065 O GLY A 72 -4.977 13.534 2.215 1.00 0.00 O ATOM 0 H GLY A 72 -2.217 12.674 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.669 14.404 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.060 13.434 -0.458 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.489 11.894 1.812 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.539 11.366 3.169 1.00 0.00 C ATOM 1071 C ILE A 73 -2.625 12.155 4.100 1.00 0.00 C ATOM 1072 O ILE A 73 -1.514 12.527 3.726 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.134 9.880 3.210 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.214 9.017 2.554 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -2.893 9.436 4.645 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.709 7.670 2.085 1.00 0.00 C ATOM 0 H ILE A 73 -2.857 11.393 1.187 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.571 11.463 3.507 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.206 9.756 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.027 8.864 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.631 9.556 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.608 8.384 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.093 10.034 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.805 9.571 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.528 7.112 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.917 7.814 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.318 7.112 2.936 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.102 12.406 5.315 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.328 13.151 6.301 1.00 0.00 C ATOM 1090 C GLN A 74 -2.675 12.704 7.717 1.00 0.00 C ATOM 1091 O GLN A 74 -3.620 11.943 7.924 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.580 14.652 6.150 1.00 0.00 C ATOM 1093 CG GLN A 74 -4.023 15.055 6.406 1.00 0.00 C ATOM 1094 CD GLN A 74 -4.296 16.504 6.052 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -3.372 17.307 5.920 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -5.569 16.845 5.894 1.00 0.00 N ATOM 0 H GLN A 74 -4.021 12.104 5.640 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.272 12.948 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.933 15.192 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.299 14.960 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.684 14.412 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.261 14.891 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.303 16.146 6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.814 17.806 5.653 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.906 13.183 8.689 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.133 12.833 10.086 1.00 0.00 C ATOM 1107 C ASP A 75 -3.531 13.252 10.531 1.00 0.00 C ATOM 1108 O ASP A 75 -3.871 14.435 10.511 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.081 13.496 10.977 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.577 13.718 12.392 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.181 14.780 12.649 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.363 12.829 13.242 1.00 0.00 O ATOM 0 H ASP A 75 -1.120 13.815 8.535 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.050 11.750 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.186 12.874 11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.792 14.453 10.542 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.337 12.274 10.930 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.689 12.561 11.373 1.00 0.00 C ATOM 1119 C GLY A 76 -6.732 12.170 10.344 1.00 0.00 C ATOM 1120 O GLY A 76 -7.894 12.565 10.447 1.00 0.00 O ATOM 0 H GLY A 76 -4.078 11.288 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.884 12.028 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.779 13.625 11.590 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.316 11.395 9.349 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.222 10.952 8.295 1.00 0.00 C ATOM 1126 C CYS A 77 -7.766 9.559 8.595 1.00 0.00 C ATOM 1127 O CYS A 77 -7.435 8.960 9.619 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.506 10.953 6.944 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.620 9.420 6.578 1.00 0.00 S ATOM 0 H CYS A 77 -5.358 11.060 9.250 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.060 11.648 8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.238 11.134 6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.800 11.783 6.920 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.726 9.149 5.311 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.603 9.050 7.697 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.196 7.729 7.868 1.00 0.00 C ATOM 1137 C ARG A 78 -9.243 6.979 6.539 1.00 0.00 C ATOM 1138 O ARG A 78 -9.955 7.375 5.616 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.606 7.850 8.448 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.645 7.815 9.967 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.024 8.176 10.497 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.999 7.118 10.251 1.00 0.00 N ATOM 1143 CZ ARG A 78 -14.247 7.149 10.705 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.670 8.180 11.423 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -15.076 6.147 10.439 1.00 0.00 N ATOM 0 H ARG A 78 -8.886 9.532 6.844 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.573 7.165 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.053 8.782 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.221 7.039 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.369 6.820 10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.907 8.510 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.961 8.369 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.363 9.098 10.026 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.706 6.311 9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.037 8.953 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.629 8.201 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.755 5.353 9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.034 6.171 10.788 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.479 5.895 6.451 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.434 5.089 5.236 1.00 0.00 C ATOM 1161 C VAL A 79 -9.245 3.808 5.396 1.00 0.00 C ATOM 1162 O VAL A 79 -9.561 3.397 6.512 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.986 4.723 4.859 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.943 4.053 3.494 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.101 5.960 4.883 1.00 0.00 C ATOM 0 H VAL A 79 -7.883 5.555 7.206 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.868 5.693 4.439 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.604 4.017 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.912 3.802 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.543 3.143 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.343 4.733 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.082 5.683 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.479 6.692 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.108 6.393 5.883 1.00 0.00 H new ATOM 1175 N MET A 80 -9.578 3.181 4.273 1.00 0.00 N ATOM 1176 CA MET A 80 -10.352 1.945 4.288 1.00 0.00 C ATOM 1177 C MET A 80 -9.499 0.764 3.837 1.00 0.00 C ATOM 1178 O MET A 80 -8.899 0.794 2.761 1.00 0.00 O ATOM 1179 CB MET A 80 -11.581 2.076 3.386 1.00 0.00 C ATOM 1180 CG MET A 80 -12.295 0.757 3.138 1.00 0.00 C ATOM 1181 SD MET A 80 -14.057 0.971 2.818 1.00 0.00 S ATOM 1182 CE MET A 80 -14.588 -0.735 2.695 1.00 0.00 C ATOM 0 H MET A 80 -9.324 3.508 3.341 1.00 0.00 H new ATOM 0 HA MET A 80 -10.680 1.764 5.312 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.280 2.779 3.838 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.276 2.500 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.834 0.253 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.163 0.108 4.004 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.065 -0.899 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.724 -1.393 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.299 -0.953 3.492 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.447 -0.273 4.665 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.667 -1.465 4.350 1.00 0.00 C ATOM 1194 C LEU A 81 -9.572 -2.682 4.190 1.00 0.00 C ATOM 1195 O LEU A 81 -10.358 -3.005 5.081 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.632 -1.725 5.447 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.637 -2.854 5.177 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.638 -2.441 4.108 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.917 -3.248 6.459 1.00 0.00 C ATOM 0 H LEU A 81 -9.935 -0.313 5.560 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.151 -1.293 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.071 -0.806 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.162 -1.948 6.373 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.190 -3.720 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.938 -3.257 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.168 -2.209 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.090 -1.560 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.213 -4.053 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.377 -2.387 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.645 -3.587 7.196 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.454 -3.355 3.050 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.259 -4.538 2.775 1.00 0.00 C ATOM 1213 C ILE A 82 -9.399 -5.798 2.765 1.00 0.00 C ATOM 1214 O ILE A 82 -8.460 -5.914 1.980 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.992 -4.420 1.426 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.022 -3.290 1.478 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.661 -5.739 1.069 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.847 -3.166 0.216 1.00 0.00 C ATOM 0 H ILE A 82 -8.809 -3.101 2.302 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.996 -4.610 3.574 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.262 -4.185 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.689 -3.456 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.506 -2.347 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.175 -5.639 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.906 -6.522 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.382 -6.002 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.556 -2.345 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.189 -2.969 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.391 -4.095 0.044 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.729 -6.740 3.643 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.978 -7.980 3.718 1.00 0.00 C ATOM 1232 C GLY A 83 -9.508 -8.915 4.787 1.00 0.00 C ATOM 1233 O GLY A 83 -10.499 -8.612 5.452 1.00 0.00 O ATOM 0 H GLY A 83 -10.503 -6.667 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.013 -8.482 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.931 -7.755 3.923 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.847 -10.055 4.954 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.256 -11.039 5.950 1.00 0.00 C ATOM 1239 C LYS A 84 -8.266 -11.083 7.110 1.00 0.00 C ATOM 1240 O LYS A 84 -7.056 -11.176 6.904 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.371 -12.425 5.311 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.678 -12.646 4.569 1.00 0.00 C ATOM 1243 CD LYS A 84 -11.747 -13.220 5.483 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.486 -14.686 5.795 1.00 0.00 C ATOM 1245 NZ LYS A 84 -12.470 -15.229 6.772 1.00 0.00 N ATOM 0 H LYS A 84 -8.025 -10.321 4.412 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.231 -10.743 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.541 -12.567 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.271 -13.183 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.024 -11.701 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.512 -13.323 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.778 -12.649 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.724 -13.116 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.531 -15.267 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.478 -14.798 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.258 -16.230 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.410 -14.691 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.430 -15.145 6.381 1.00 0.00 H new