USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 561 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -143:sc= -0.0541 (180deg=-0.6) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -6.6! C(o=-6.6!,f=-10!) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.026 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.0193 (180deg=-0.409) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -5.42! C(o=-6.4!,f=-5.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.71 F(o=-4.2!,f=-1.7) USER MOD Single : A 52 ASN : amide:sc= -15.2! C(o=-15!,f=-30!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -0.756 X(o=-0.76,f=-1.1) USER MOD Single : A 82 THR OG1 : rot 170:sc= 1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.866 -11.659 0.023 1.00 0.00 N ATOM 2 CA VAL A 1 -1.011 -10.938 1.009 1.00 0.00 C ATOM 3 C VAL A 1 -1.839 -10.543 2.235 1.00 0.00 C ATOM 4 O VAL A 1 -2.293 -9.423 2.356 1.00 0.00 O ATOM 5 CB VAL A 1 -0.518 -9.694 0.270 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.127 -8.727 1.266 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.514 -10.104 -0.784 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.314 -12.416 -0.427 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.686 -12.072 0.511 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.196 -10.992 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.185 -11.552 1.368 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.361 -9.203 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.478 -7.841 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.607 -8.435 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.970 -9.216 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.867 -9.218 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.356 -10.595 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.055 -10.791 -1.495 1.00 0.00 H new ATOM 19 N THR A 2 -2.037 -11.456 3.146 1.00 0.00 N ATOM 20 CA THR A 2 -2.833 -11.132 4.365 1.00 0.00 C ATOM 21 C THR A 2 -1.975 -11.312 5.619 1.00 0.00 C ATOM 22 O THR A 2 -1.108 -12.163 5.674 1.00 0.00 O ATOM 23 CB THR A 2 -3.992 -12.131 4.361 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.652 -12.083 3.103 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.982 -11.775 5.472 1.00 0.00 C ATOM 0 H THR A 2 -1.683 -12.411 3.100 1.00 0.00 H new ATOM 0 HA THR A 2 -3.185 -10.100 4.365 1.00 0.00 H new ATOM 0 HB THR A 2 -3.605 -13.136 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.394 -12.724 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.806 -12.488 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.476 -11.813 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.370 -10.770 5.305 1.00 0.00 H new ATOM 33 N VAL A 3 -2.210 -10.518 6.628 1.00 0.00 N ATOM 34 CA VAL A 3 -1.408 -10.645 7.879 1.00 0.00 C ATOM 35 C VAL A 3 -2.079 -11.638 8.831 1.00 0.00 C ATOM 36 O VAL A 3 -3.199 -11.447 9.260 1.00 0.00 O ATOM 37 CB VAL A 3 -1.375 -9.234 8.476 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.623 -9.293 9.987 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.002 -8.615 8.214 1.00 0.00 C ATOM 0 H VAL A 3 -2.922 -9.788 6.641 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.401 -11.022 7.697 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.155 -8.629 8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.597 -8.284 10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.599 -9.738 10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.849 -9.898 10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.031 -7.610 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.769 -9.229 8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.175 -8.564 7.140 1.00 0.00 H new ATOM 49 N GLN A 4 -1.402 -12.702 9.161 1.00 0.00 N ATOM 50 CA GLN A 4 -2.005 -13.708 10.079 1.00 0.00 C ATOM 51 C GLN A 4 -1.273 -13.715 11.424 1.00 0.00 C ATOM 52 O GLN A 4 -0.063 -13.804 11.486 1.00 0.00 O ATOM 53 CB GLN A 4 -1.829 -15.048 9.365 1.00 0.00 C ATOM 54 CG GLN A 4 -2.462 -16.160 10.202 1.00 0.00 C ATOM 55 CD GLN A 4 -2.294 -17.500 9.483 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.774 -17.552 8.386 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.714 -18.594 10.058 1.00 0.00 N ATOM 0 H GLN A 4 -0.460 -12.918 8.836 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.052 -13.492 10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.294 -15.011 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.770 -15.253 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.993 -16.202 11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.520 -15.952 10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.151 -18.551 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.606 -19.492 9.586 1.00 0.00 H new ATOM 66 N ASP A 5 -2.005 -13.623 12.499 1.00 0.00 N ATOM 67 CA ASP A 5 -1.362 -13.626 13.844 1.00 0.00 C ATOM 68 C ASP A 5 -1.318 -15.050 14.400 1.00 0.00 C ATOM 69 O ASP A 5 -0.312 -15.728 14.321 1.00 0.00 O ATOM 70 CB ASP A 5 -2.253 -12.736 14.711 1.00 0.00 C ATOM 71 CG ASP A 5 -2.189 -11.297 14.195 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.250 -10.987 13.479 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.078 -10.530 14.524 1.00 0.00 O ATOM 0 H ASP A 5 -3.022 -13.546 12.505 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.334 -13.264 13.814 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.281 -13.098 14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.926 -12.776 15.750 1.00 0.00 H new ATOM 78 N GLY A 6 -2.399 -15.511 14.961 1.00 0.00 N ATOM 79 CA GLY A 6 -2.420 -16.891 15.522 1.00 0.00 C ATOM 80 C GLY A 6 -2.921 -17.868 14.456 1.00 0.00 C ATOM 81 O GLY A 6 -2.402 -17.927 13.359 1.00 0.00 O ATOM 0 H GLY A 6 -3.272 -14.991 15.056 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.421 -17.176 15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.067 -16.929 16.398 1.00 0.00 H new ATOM 85 N ASN A 7 -3.926 -18.640 14.771 1.00 0.00 N ATOM 86 CA ASN A 7 -4.461 -19.616 13.779 1.00 0.00 C ATOM 87 C ASN A 7 -5.473 -18.934 12.854 1.00 0.00 C ATOM 88 O ASN A 7 -6.145 -19.576 12.072 1.00 0.00 O ATOM 89 CB ASN A 7 -5.145 -20.697 14.617 1.00 0.00 C ATOM 90 CG ASN A 7 -4.134 -21.307 15.590 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.871 -21.330 15.267 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -4.498 -21.767 16.654 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.400 -18.637 15.674 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.678 -20.027 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.983 -20.269 15.168 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.553 -21.471 13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.486 -21.749 16.906 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.815 -22.171 17.295 1.00 0.00 H new ATOM 99 N PHE A 8 -5.591 -17.636 12.941 1.00 0.00 N ATOM 100 CA PHE A 8 -6.565 -16.916 12.071 1.00 0.00 C ATOM 101 C PHE A 8 -5.839 -15.893 11.191 1.00 0.00 C ATOM 102 O PHE A 8 -4.953 -15.192 11.639 1.00 0.00 O ATOM 103 CB PHE A 8 -7.511 -16.214 13.044 1.00 0.00 C ATOM 104 CG PHE A 8 -8.217 -17.245 13.893 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.364 -17.886 13.408 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.724 -17.560 15.165 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.017 -18.842 14.195 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.377 -18.516 15.952 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.524 -19.157 15.467 1.00 0.00 C ATOM 0 H PHE A 8 -5.056 -17.044 13.576 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.095 -17.589 11.397 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.952 -15.526 13.678 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.240 -15.619 12.494 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.745 -17.643 12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.840 -17.065 15.539 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.901 -19.337 13.821 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.996 -18.759 16.933 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.028 -19.894 16.074 1.00 0.00 H new ATOM 119 N SER A 9 -6.209 -15.802 9.941 1.00 0.00 N ATOM 120 CA SER A 9 -5.543 -14.825 9.031 1.00 0.00 C ATOM 121 C SER A 9 -6.256 -13.472 9.096 1.00 0.00 C ATOM 122 O SER A 9 -7.464 -13.391 8.990 1.00 0.00 O ATOM 123 CB SER A 9 -5.673 -15.434 7.635 1.00 0.00 C ATOM 124 OG SER A 9 -4.947 -14.644 6.704 1.00 0.00 O ATOM 0 H SER A 9 -6.944 -16.363 9.511 1.00 0.00 H new ATOM 0 HA SER A 9 -4.502 -14.648 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.293 -16.456 7.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.722 -15.484 7.345 1.00 0.00 H new ATOM 0 HG SER A 9 -5.029 -15.035 5.809 1.00 0.00 H new ATOM 130 N PHE A 10 -5.522 -12.410 9.282 1.00 0.00 N ATOM 131 CA PHE A 10 -6.163 -11.066 9.366 1.00 0.00 C ATOM 132 C PHE A 10 -5.650 -10.147 8.251 1.00 0.00 C ATOM 133 O PHE A 10 -4.461 -9.962 8.084 1.00 0.00 O ATOM 134 CB PHE A 10 -5.749 -10.527 10.734 1.00 0.00 C ATOM 135 CG PHE A 10 -6.191 -11.487 11.813 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.343 -12.263 11.632 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.450 -11.601 12.995 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.752 -13.151 12.634 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.859 -12.490 13.996 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.011 -13.264 13.816 1.00 0.00 C ATOM 0 H PHE A 10 -4.507 -12.414 9.379 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.245 -11.119 9.249 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.668 -10.395 10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.196 -9.547 10.900 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.915 -12.176 10.720 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.562 -11.003 13.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.640 -13.749 12.495 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.286 -12.579 14.907 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.328 -13.948 14.589 1.00 0.00 H new ATOM 150 N SER A 11 -6.537 -9.564 7.490 1.00 0.00 N ATOM 151 CA SER A 11 -6.095 -8.654 6.392 1.00 0.00 C ATOM 152 C SER A 11 -5.642 -7.310 6.973 1.00 0.00 C ATOM 153 O SER A 11 -5.842 -7.029 8.138 1.00 0.00 O ATOM 154 CB SER A 11 -7.329 -8.472 5.509 1.00 0.00 C ATOM 155 OG SER A 11 -7.000 -7.646 4.401 1.00 0.00 O ATOM 0 H SER A 11 -7.547 -9.678 7.580 1.00 0.00 H new ATOM 0 HA SER A 11 -5.252 -9.057 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.686 -9.441 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.138 -8.022 6.084 1.00 0.00 H new ATOM 0 HG SER A 11 -7.790 -7.530 3.833 1.00 0.00 H new ATOM 161 N LEU A 12 -5.024 -6.481 6.175 1.00 0.00 N ATOM 162 CA LEU A 12 -4.551 -5.164 6.694 1.00 0.00 C ATOM 163 C LEU A 12 -5.492 -4.034 6.258 1.00 0.00 C ATOM 164 O LEU A 12 -5.299 -2.888 6.612 1.00 0.00 O ATOM 165 CB LEU A 12 -3.166 -4.970 6.074 1.00 0.00 C ATOM 166 CG LEU A 12 -2.267 -6.149 6.456 1.00 0.00 C ATOM 167 CD1 LEU A 12 -0.853 -5.903 5.927 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.225 -6.285 7.980 1.00 0.00 C ATOM 0 H LEU A 12 -4.827 -6.657 5.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.525 -5.144 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.248 -4.898 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.727 -4.036 6.423 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.664 -7.066 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.212 -6.742 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.882 -5.805 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.456 -4.987 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.585 -7.124 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.827 -5.369 8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.233 -6.459 8.358 1.00 0.00 H new ATOM 180 N GLU A 13 -6.505 -4.342 5.494 1.00 0.00 N ATOM 181 CA GLU A 13 -7.445 -3.272 5.041 1.00 0.00 C ATOM 182 C GLU A 13 -8.356 -2.831 6.193 1.00 0.00 C ATOM 183 O GLU A 13 -8.203 -1.760 6.743 1.00 0.00 O ATOM 184 CB GLU A 13 -8.273 -3.915 3.927 1.00 0.00 C ATOM 185 CG GLU A 13 -7.345 -4.399 2.812 1.00 0.00 C ATOM 186 CD GLU A 13 -8.167 -5.125 1.747 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.283 -5.513 2.049 1.00 0.00 O ATOM 188 OE2 GLU A 13 -7.667 -5.281 0.644 1.00 0.00 O ATOM 0 H GLU A 13 -6.723 -5.282 5.164 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.915 -2.383 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.848 -4.752 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.989 -3.195 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.820 -3.553 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.586 -5.067 3.220 1.00 0.00 H new ATOM 195 N SER A 14 -9.308 -3.648 6.552 1.00 0.00 N ATOM 196 CA SER A 14 -10.240 -3.279 7.658 1.00 0.00 C ATOM 197 C SER A 14 -9.476 -2.651 8.827 1.00 0.00 C ATOM 198 O SER A 14 -9.905 -1.669 9.407 1.00 0.00 O ATOM 199 CB SER A 14 -10.883 -4.596 8.089 1.00 0.00 C ATOM 200 OG SER A 14 -11.292 -5.323 6.940 1.00 0.00 O ATOM 0 H SER A 14 -9.482 -4.558 6.126 1.00 0.00 H new ATOM 0 HA SER A 14 -10.978 -2.544 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.175 -5.185 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.741 -4.400 8.733 1.00 0.00 H new ATOM 0 HG SER A 14 -11.703 -6.169 7.217 1.00 0.00 H new ATOM 206 N VAL A 15 -8.346 -3.194 9.179 1.00 0.00 N ATOM 207 CA VAL A 15 -7.577 -2.605 10.310 1.00 0.00 C ATOM 208 C VAL A 15 -7.101 -1.202 9.933 1.00 0.00 C ATOM 209 O VAL A 15 -7.228 -0.271 10.702 1.00 0.00 O ATOM 210 CB VAL A 15 -6.402 -3.553 10.559 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.924 -4.815 11.250 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.731 -3.932 9.235 1.00 0.00 C ATOM 0 H VAL A 15 -7.924 -4.012 8.739 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.179 -2.501 11.212 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.666 -3.056 11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.095 -5.499 11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.388 -4.545 12.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.661 -5.301 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.897 -4.607 9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.455 -4.428 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.362 -3.032 8.743 1.00 0.00 H new ATOM 222 N LYS A 16 -6.573 -1.027 8.753 1.00 0.00 N ATOM 223 CA LYS A 16 -6.124 0.334 8.352 1.00 0.00 C ATOM 224 C LYS A 16 -7.281 1.315 8.545 1.00 0.00 C ATOM 225 O LYS A 16 -7.126 2.379 9.111 1.00 0.00 O ATOM 226 CB LYS A 16 -5.760 0.218 6.872 1.00 0.00 C ATOM 227 CG LYS A 16 -5.445 1.608 6.317 1.00 0.00 C ATOM 228 CD LYS A 16 -5.320 1.534 4.793 1.00 0.00 C ATOM 229 CE LYS A 16 -5.082 2.938 4.233 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.415 3.603 4.293 1.00 0.00 N ATOM 0 H LYS A 16 -6.434 -1.759 8.057 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.280 0.693 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.899 -0.439 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.585 -0.229 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.233 2.309 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.518 1.983 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.496 0.876 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.227 1.108 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.343 3.479 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.706 2.898 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.503 4.276 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.164 2.886 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.509 4.112 5.195 1.00 0.00 H new ATOM 244 N LYS A 17 -8.447 0.951 8.083 1.00 0.00 N ATOM 245 CA LYS A 17 -9.629 1.844 8.244 1.00 0.00 C ATOM 246 C LYS A 17 -10.203 1.703 9.656 1.00 0.00 C ATOM 247 O LYS A 17 -11.153 2.366 10.021 1.00 0.00 O ATOM 248 CB LYS A 17 -10.638 1.354 7.204 1.00 0.00 C ATOM 249 CG LYS A 17 -11.850 2.286 7.188 1.00 0.00 C ATOM 250 CD LYS A 17 -11.493 3.575 6.448 1.00 0.00 C ATOM 251 CE LYS A 17 -12.736 4.458 6.332 1.00 0.00 C ATOM 252 NZ LYS A 17 -12.211 5.810 5.987 1.00 0.00 N ATOM 0 H LYS A 17 -8.632 0.072 7.600 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.378 2.895 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.175 1.326 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.952 0.337 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.693 1.796 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.160 2.514 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.705 4.107 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.106 3.342 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.414 4.088 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.296 4.478 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.004 6.476 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.574 6.138 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.688 5.761 5.089 1.00 0.00 H new ATOM 266 N LEU A 18 -9.627 0.846 10.460 1.00 0.00 N ATOM 267 CA LEU A 18 -10.131 0.664 11.852 1.00 0.00 C ATOM 268 C LEU A 18 -9.895 1.938 12.671 1.00 0.00 C ATOM 269 O LEU A 18 -10.733 2.353 13.446 1.00 0.00 O ATOM 270 CB LEU A 18 -9.299 -0.495 12.404 1.00 0.00 C ATOM 271 CG LEU A 18 -9.740 -0.831 13.829 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.176 -1.360 13.809 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.806 -1.900 14.405 1.00 0.00 C ATOM 0 H LEU A 18 -8.828 0.264 10.210 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.201 0.462 11.891 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.413 -1.370 11.765 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.242 -0.229 12.396 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.696 0.065 14.448 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.490 -1.599 14.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.838 -0.600 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.224 -2.258 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.115 -2.144 15.421 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.853 -2.796 13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.784 -1.521 14.418 1.00 0.00 H new ATOM 285 N LYS A 19 -8.758 2.559 12.505 1.00 0.00 N ATOM 286 CA LYS A 19 -8.468 3.805 13.273 1.00 0.00 C ATOM 287 C LYS A 19 -9.559 4.847 13.015 1.00 0.00 C ATOM 288 O LYS A 19 -10.060 5.475 13.926 1.00 0.00 O ATOM 289 CB LYS A 19 -7.120 4.293 12.739 1.00 0.00 C ATOM 290 CG LYS A 19 -6.667 5.517 13.538 1.00 0.00 C ATOM 291 CD LYS A 19 -5.368 6.063 12.942 1.00 0.00 C ATOM 292 CE LYS A 19 -4.881 7.249 13.777 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.767 6.703 14.603 1.00 0.00 N ATOM 0 H LYS A 19 -8.018 2.258 11.871 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.441 3.633 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.377 3.499 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.206 4.547 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.440 6.285 13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.515 5.247 14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.608 5.282 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.532 6.374 11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.538 8.066 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.680 7.646 14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.379 7.457 15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.125 5.932 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.019 6.338 13.979 1.00 0.00 H new ATOM 307 N ASP A 20 -9.933 5.032 11.778 1.00 0.00 N ATOM 308 CA ASP A 20 -10.994 6.029 11.460 1.00 0.00 C ATOM 309 C ASP A 20 -12.206 5.322 10.849 1.00 0.00 C ATOM 310 O ASP A 20 -12.489 5.455 9.676 1.00 0.00 O ATOM 311 CB ASP A 20 -10.357 6.976 10.443 1.00 0.00 C ATOM 312 CG ASP A 20 -11.334 8.109 10.120 1.00 0.00 C ATOM 313 OD1 ASP A 20 -12.369 8.174 10.763 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.029 8.893 9.235 1.00 0.00 O ATOM 0 H ASP A 20 -9.549 4.535 10.974 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.344 6.561 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.429 7.385 10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.101 6.432 9.534 1.00 0.00 H new ATOM 319 N LEU A 21 -12.921 4.566 11.637 1.00 0.00 N ATOM 320 CA LEU A 21 -14.111 3.845 11.102 1.00 0.00 C ATOM 321 C LEU A 21 -15.065 4.823 10.412 1.00 0.00 C ATOM 322 O LEU A 21 -15.520 4.588 9.310 1.00 0.00 O ATOM 323 CB LEU A 21 -14.777 3.219 12.326 1.00 0.00 C ATOM 324 CG LEU A 21 -15.834 2.211 11.871 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.143 0.980 11.281 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.689 1.791 13.068 1.00 0.00 C ATOM 0 H LEU A 21 -12.733 4.416 12.628 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.837 3.097 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.030 2.724 12.946 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.238 3.994 12.939 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.470 2.669 11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.895 0.261 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.534 1.279 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.506 0.522 12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.442 1.073 12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.054 1.333 13.826 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.181 2.668 13.489 1.00 0.00 H new ATOM 518 N ARG A 33 -3.777 -1.627 0.172 1.00 0.00 N ATOM 519 CA ARG A 33 -3.880 -0.330 0.899 1.00 0.00 C ATOM 520 C ARG A 33 -2.760 -0.215 1.936 1.00 0.00 C ATOM 521 O ARG A 33 -2.496 -1.134 2.685 1.00 0.00 O ATOM 522 CB ARG A 33 -5.246 -0.369 1.583 1.00 0.00 C ATOM 523 CG ARG A 33 -6.345 -0.186 0.533 1.00 0.00 C ATOM 524 CD ARG A 33 -7.677 0.093 1.231 1.00 0.00 C ATOM 525 NE ARG A 33 -8.681 0.142 0.129 1.00 0.00 N ATOM 526 CZ ARG A 33 -9.420 1.205 -0.033 1.00 0.00 C ATOM 527 NH1 ARG A 33 -9.321 1.908 -1.128 1.00 0.00 N ATOM 528 NH2 ARG A 33 -10.260 1.565 0.898 1.00 0.00 N ATOM 0 HA ARG A 33 -3.783 0.527 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.378 -1.318 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.311 0.417 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.092 0.638 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.426 -1.081 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.918 -0.689 1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.646 1.034 1.780 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.790 -0.655 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.666 1.626 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.899 2.739 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.339 1.015 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.837 2.396 0.770 1.00 0.00 H new ATOM 542 N ASN A 34 -2.098 0.909 1.983 1.00 0.00 N ATOM 543 CA ASN A 34 -0.993 1.083 2.970 1.00 0.00 C ATOM 544 C ASN A 34 -0.866 2.557 3.366 1.00 0.00 C ATOM 545 O ASN A 34 0.216 3.109 3.400 1.00 0.00 O ATOM 546 CB ASN A 34 0.264 0.614 2.240 1.00 0.00 C ATOM 547 CG ASN A 34 0.103 -0.853 1.837 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.138 -1.747 2.756 1.00 0.00 O flip ATOM 549 ND2 ASN A 34 0.195 -1.189 0.672 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.274 1.714 1.382 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.165 0.521 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.434 1.228 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.136 0.732 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.383 -0.490 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.084 -2.169 0.414 1.00 0.00 H new ATOM 619 N PRO A 39 -0.657 3.295 14.813 1.00 0.00 N ATOM 620 CA PRO A 39 -1.499 2.697 15.877 1.00 0.00 C ATOM 621 C PRO A 39 -1.761 3.709 16.996 1.00 0.00 C ATOM 622 O PRO A 39 -0.886 4.454 17.392 1.00 0.00 O ATOM 623 CB PRO A 39 -0.636 1.535 16.376 1.00 0.00 C ATOM 624 CG PRO A 39 0.675 1.508 15.564 1.00 0.00 C ATOM 625 CD PRO A 39 0.620 2.611 14.499 1.00 0.00 C ATOM 0 HA PRO A 39 -2.484 2.384 15.529 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.420 1.653 17.438 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.170 0.592 16.262 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.530 1.662 16.222 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.807 0.534 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.471 3.288 14.571 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.623 2.201 13.489 1.00 0.00 H new ATOM 633 N GLY A 40 -2.959 3.739 17.510 1.00 0.00 N ATOM 634 CA GLY A 40 -3.280 4.699 18.602 1.00 0.00 C ATOM 635 C GLY A 40 -3.134 3.999 19.953 1.00 0.00 C ATOM 636 O GLY A 40 -2.149 4.161 20.646 1.00 0.00 O ATOM 0 H GLY A 40 -3.731 3.139 17.220 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.613 5.560 18.552 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.296 5.076 18.483 1.00 0.00 H new ATOM 640 N GLU A 41 -4.107 3.221 20.332 1.00 0.00 N ATOM 641 CA GLU A 41 -4.028 2.507 21.640 1.00 0.00 C ATOM 642 C GLU A 41 -4.794 1.181 21.568 1.00 0.00 C ATOM 643 O GLU A 41 -5.717 1.040 20.790 1.00 0.00 O ATOM 644 CB GLU A 41 -4.685 3.451 22.646 1.00 0.00 C ATOM 645 CG GLU A 41 -3.605 4.261 23.366 1.00 0.00 C ATOM 646 CD GLU A 41 -3.706 4.019 24.873 1.00 0.00 C ATOM 647 OE1 GLU A 41 -4.267 3.006 25.254 1.00 0.00 O ATOM 648 OE2 GLU A 41 -3.220 4.852 25.620 1.00 0.00 O ATOM 0 H GLU A 41 -4.956 3.047 19.794 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.002 2.265 21.917 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.376 4.121 22.135 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.269 2.881 23.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.618 3.972 23.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.726 5.322 23.148 1.00 0.00 H new ATOM 655 N PRO A 42 -4.382 0.251 22.388 1.00 0.00 N ATOM 656 CA PRO A 42 -5.030 -1.081 22.427 1.00 0.00 C ATOM 657 C PRO A 42 -6.502 -0.953 22.831 1.00 0.00 C ATOM 658 O PRO A 42 -6.852 -0.181 23.702 1.00 0.00 O ATOM 659 CB PRO A 42 -4.226 -1.814 23.505 1.00 0.00 C ATOM 660 CG PRO A 42 -3.140 -0.864 24.046 1.00 0.00 C ATOM 661 CD PRO A 42 -3.250 0.481 23.315 1.00 0.00 C ATOM 0 HA PRO A 42 -5.031 -1.595 21.466 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.883 -2.135 24.313 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.769 -2.712 23.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.264 -0.721 25.119 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.151 -1.296 23.894 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.450 1.302 24.004 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.333 0.729 22.781 1.00 0.00 H new ATOM 669 N VAL A 43 -7.367 -1.705 22.207 1.00 0.00 N ATOM 670 CA VAL A 43 -8.814 -1.626 22.557 1.00 0.00 C ATOM 671 C VAL A 43 -9.614 -2.643 21.738 1.00 0.00 C ATOM 672 O VAL A 43 -10.355 -2.289 20.842 1.00 0.00 O ATOM 673 CB VAL A 43 -9.231 -0.200 22.198 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.064 0.019 20.693 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.696 0.015 22.585 1.00 0.00 C ATOM 0 H VAL A 43 -7.134 -2.371 21.470 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.997 -1.852 23.607 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.603 0.508 22.739 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.362 1.036 20.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.021 -0.134 20.417 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.690 -0.689 20.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.994 1.032 22.329 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.323 -0.694 22.044 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.815 -0.139 23.657 1.00 0.00 H new ATOM 685 N VAL A 44 -9.470 -3.905 22.041 1.00 0.00 N ATOM 686 CA VAL A 44 -10.222 -4.946 21.280 1.00 0.00 C ATOM 687 C VAL A 44 -10.943 -5.889 22.248 1.00 0.00 C ATOM 688 O VAL A 44 -10.622 -7.059 22.328 1.00 0.00 O ATOM 689 CB VAL A 44 -9.157 -5.702 20.487 1.00 0.00 C ATOM 690 CG1 VAL A 44 -8.026 -6.127 21.427 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.780 -6.945 19.850 1.00 0.00 C ATOM 0 H VAL A 44 -8.865 -4.261 22.781 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.984 -4.515 20.630 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.759 -5.053 19.707 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.266 -6.666 20.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.580 -5.243 21.883 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.425 -6.775 22.207 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.020 -7.484 19.284 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.179 -7.593 20.631 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.586 -6.645 19.180 1.00 0.00 H new ATOM 753 N CYS A 48 -15.495 -6.075 20.932 1.00 0.00 N ATOM 754 CA CYS A 48 -14.798 -5.163 19.981 1.00 0.00 C ATOM 755 C CYS A 48 -15.411 -3.762 20.045 1.00 0.00 C ATOM 756 O CYS A 48 -16.609 -3.591 19.944 1.00 0.00 O ATOM 757 CB CYS A 48 -15.013 -5.786 18.602 1.00 0.00 C ATOM 758 SG CYS A 48 -13.654 -6.924 18.242 1.00 0.00 S ATOM 0 HA CYS A 48 -13.739 -5.054 20.215 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.964 -6.317 18.575 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.061 -5.007 17.842 1.00 0.00 H new ATOM 763 N SER A 49 -14.596 -2.758 20.221 1.00 0.00 N ATOM 764 CA SER A 49 -15.130 -1.368 20.299 1.00 0.00 C ATOM 765 C SER A 49 -15.843 -0.994 18.999 1.00 0.00 C ATOM 766 O SER A 49 -16.920 -0.434 19.011 1.00 0.00 O ATOM 767 CB SER A 49 -13.903 -0.483 20.511 1.00 0.00 C ATOM 768 OG SER A 49 -14.320 0.850 20.766 1.00 0.00 O ATOM 0 H SER A 49 -13.584 -2.840 20.314 1.00 0.00 H new ATOM 0 HA SER A 49 -15.860 -1.254 21.101 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.312 -0.857 21.347 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.263 -0.513 19.629 1.00 0.00 H new ATOM 0 HG SER A 49 -13.533 1.418 20.904 1.00 0.00 H new ATOM 774 N ASN A 50 -15.252 -1.302 17.880 1.00 0.00 N ATOM 775 CA ASN A 50 -15.893 -0.966 16.575 1.00 0.00 C ATOM 776 C ASN A 50 -16.967 -2.007 16.225 1.00 0.00 C ATOM 777 O ASN A 50 -16.651 -3.150 15.952 1.00 0.00 O ATOM 778 CB ASN A 50 -14.753 -1.009 15.556 1.00 0.00 C ATOM 779 CG ASN A 50 -13.953 0.293 15.630 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.808 1.018 14.555 1.00 0.00 O flip ATOM 781 ND2 ASN A 50 -13.455 0.655 16.678 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.350 -1.773 17.810 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.389 0.004 16.595 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.102 -1.860 15.758 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.154 -1.145 14.552 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.568 0.089 17.519 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.924 1.525 16.717 1.00 0.00 H new ATOM 788 N PRO A 51 -18.204 -1.578 16.241 1.00 0.00 N ATOM 789 CA PRO A 51 -19.333 -2.485 15.923 1.00 0.00 C ATOM 790 C PRO A 51 -19.187 -3.056 14.510 1.00 0.00 C ATOM 791 O PRO A 51 -19.900 -3.958 14.118 1.00 0.00 O ATOM 792 CB PRO A 51 -20.548 -1.557 16.018 1.00 0.00 C ATOM 793 CG PRO A 51 -20.062 -0.143 16.393 1.00 0.00 C ATOM 794 CD PRO A 51 -18.538 -0.172 16.568 1.00 0.00 C ATOM 0 HA PRO A 51 -19.398 -3.349 16.584 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.081 -1.534 15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.248 -1.927 16.767 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.339 0.569 15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.541 0.188 17.314 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.039 0.530 15.899 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.241 0.090 17.584 1.00 0.00 H new ATOM 802 N ASN A 52 -18.268 -2.537 13.742 1.00 0.00 N ATOM 803 CA ASN A 52 -18.081 -3.053 12.357 1.00 0.00 C ATOM 804 C ASN A 52 -16.589 -3.204 12.041 1.00 0.00 C ATOM 805 O ASN A 52 -16.140 -2.888 10.956 1.00 0.00 O ATOM 806 CB ASN A 52 -18.718 -1.997 11.453 1.00 0.00 C ATOM 807 CG ASN A 52 -17.853 -0.736 11.453 1.00 0.00 C ATOM 808 OD1 ASN A 52 -16.901 -0.639 12.201 1.00 0.00 O ATOM 809 ND2 ASN A 52 -18.147 0.242 10.641 1.00 0.00 N ATOM 0 H ASN A 52 -17.640 -1.780 14.013 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.533 -4.035 12.219 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.817 -2.383 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.723 -1.761 11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.577 1.088 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.946 0.160 10.013 1.00 0.00 H new ATOM 816 N PHE A 53 -15.820 -3.700 12.973 1.00 0.00 N ATOM 817 CA PHE A 53 -14.363 -3.885 12.709 1.00 0.00 C ATOM 818 C PHE A 53 -14.159 -5.169 11.907 1.00 0.00 C ATOM 819 O PHE A 53 -15.106 -5.882 11.646 1.00 0.00 O ATOM 820 CB PHE A 53 -13.709 -3.991 14.095 1.00 0.00 C ATOM 821 CG PHE A 53 -13.759 -5.421 14.592 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.978 -6.109 14.628 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.585 -6.058 15.022 1.00 0.00 C ATOM 824 CE1 PHE A 53 -15.025 -7.428 15.093 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.634 -7.381 15.486 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.854 -8.064 15.520 1.00 0.00 C ATOM 0 H PHE A 53 -16.135 -3.984 13.901 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.929 -3.068 12.133 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.674 -3.653 14.043 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.223 -3.336 14.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.883 -5.621 14.297 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.643 -5.530 14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.967 -7.956 15.122 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.730 -7.872 15.817 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.892 -9.083 15.876 1.00 0.00 H new ATOM 836 N PRO A 54 -12.932 -5.437 11.548 1.00 0.00 N ATOM 837 CA PRO A 54 -12.629 -6.662 10.787 1.00 0.00 C ATOM 838 C PRO A 54 -13.086 -7.878 11.592 1.00 0.00 C ATOM 839 O PRO A 54 -12.296 -8.576 12.194 1.00 0.00 O ATOM 840 CB PRO A 54 -11.106 -6.603 10.644 1.00 0.00 C ATOM 841 CG PRO A 54 -10.598 -5.315 11.324 1.00 0.00 C ATOM 842 CD PRO A 54 -11.800 -4.546 11.886 1.00 0.00 C ATOM 0 HA PRO A 54 -13.128 -6.737 9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.649 -7.479 11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.824 -6.611 9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.900 -5.561 12.124 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.057 -4.698 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.715 -4.387 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.905 -3.563 11.426 1.00 0.00 H new ATOM 850 N GLU A 55 -14.371 -8.107 11.626 1.00 0.00 N ATOM 851 CA GLU A 55 -14.911 -9.250 12.412 1.00 0.00 C ATOM 852 C GLU A 55 -13.993 -10.462 12.276 1.00 0.00 C ATOM 853 O GLU A 55 -13.884 -11.270 13.177 1.00 0.00 O ATOM 854 CB GLU A 55 -16.287 -9.521 11.810 1.00 0.00 C ATOM 855 CG GLU A 55 -16.989 -10.614 12.615 1.00 0.00 C ATOM 856 CD GLU A 55 -18.331 -10.945 11.959 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.626 -10.356 10.933 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.040 -11.781 12.494 1.00 0.00 O ATOM 0 H GLU A 55 -15.072 -7.548 11.140 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.977 -9.035 13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.884 -8.609 11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.186 -9.829 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.364 -11.506 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.145 -10.282 13.641 1.00 0.00 H new ATOM 865 N GLU A 56 -13.305 -10.586 11.175 1.00 0.00 N ATOM 866 CA GLU A 56 -12.375 -11.738 11.024 1.00 0.00 C ATOM 867 C GLU A 56 -11.452 -11.785 12.245 1.00 0.00 C ATOM 868 O GLU A 56 -10.851 -12.796 12.551 1.00 0.00 O ATOM 869 CB GLU A 56 -11.580 -11.449 9.750 1.00 0.00 C ATOM 870 CG GLU A 56 -12.527 -11.457 8.548 1.00 0.00 C ATOM 871 CD GLU A 56 -11.720 -11.263 7.263 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.540 -10.975 7.365 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.298 -11.407 6.198 1.00 0.00 O ATOM 0 H GLU A 56 -13.346 -9.947 10.381 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.887 -12.698 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.083 -10.482 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.800 -12.198 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.074 -12.399 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.267 -10.663 8.649 1.00 0.00 H new ATOM 880 N LEU A 57 -11.352 -10.689 12.954 1.00 0.00 N ATOM 881 CA LEU A 57 -10.491 -10.648 14.169 1.00 0.00 C ATOM 882 C LEU A 57 -11.318 -11.035 15.400 1.00 0.00 C ATOM 883 O LEU A 57 -10.878 -10.899 16.526 1.00 0.00 O ATOM 884 CB LEU A 57 -10.026 -9.194 14.283 1.00 0.00 C ATOM 885 CG LEU A 57 -9.271 -8.786 13.017 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.872 -7.313 13.120 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.013 -9.638 12.871 1.00 0.00 C ATOM 0 H LEU A 57 -11.834 -9.816 12.740 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.651 -11.339 14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.885 -8.539 14.431 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.382 -9.077 15.154 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.913 -8.936 12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.333 -7.018 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.767 -6.700 13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.231 -7.170 13.990 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.478 -9.345 11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.370 -9.489 13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.292 -10.690 12.802 1.00 0.00 H new ATOM 899 N LYS A 58 -12.519 -11.511 15.191 1.00 0.00 N ATOM 900 CA LYS A 58 -13.384 -11.903 16.340 1.00 0.00 C ATOM 901 C LYS A 58 -12.558 -12.598 17.424 1.00 0.00 C ATOM 902 O LYS A 58 -12.616 -12.218 18.576 1.00 0.00 O ATOM 903 CB LYS A 58 -14.417 -12.864 15.752 1.00 0.00 C ATOM 904 CG LYS A 58 -15.821 -12.423 16.172 1.00 0.00 C ATOM 905 CD LYS A 58 -16.225 -13.156 17.453 1.00 0.00 C ATOM 906 CE LYS A 58 -17.370 -12.401 18.133 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.565 -13.096 19.437 1.00 0.00 N ATOM 0 H LYS A 58 -12.937 -11.645 14.270 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.852 -11.039 16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.339 -12.878 14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.224 -13.879 16.099 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.842 -11.345 16.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.534 -12.639 15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.535 -14.175 17.220 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.372 -13.229 18.128 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.119 -11.350 18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.277 -12.431 17.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.335 -12.636 19.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.809 -14.092 19.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.687 -13.045 19.992 1.00 0.00 H new ATOM 921 N PRO A 59 -11.804 -13.594 17.029 1.00 0.00 N ATOM 922 CA PRO A 59 -10.963 -14.326 17.997 1.00 0.00 C ATOM 923 C PRO A 59 -10.049 -13.349 18.740 1.00 0.00 C ATOM 924 O PRO A 59 -9.889 -13.430 19.942 1.00 0.00 O ATOM 925 CB PRO A 59 -10.171 -15.283 17.101 1.00 0.00 C ATOM 926 CG PRO A 59 -10.608 -15.064 15.639 1.00 0.00 C ATOM 927 CD PRO A 59 -11.747 -14.035 15.614 1.00 0.00 C ATOM 0 HA PRO A 59 -11.522 -14.849 18.772 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.101 -15.102 17.207 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.351 -16.316 17.399 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.767 -14.711 15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.939 -16.005 15.199 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.533 -13.207 14.938 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.688 -14.478 15.288 1.00 0.00 H new ATOM 935 N LEU A 60 -9.452 -12.422 18.041 1.00 0.00 N ATOM 936 CA LEU A 60 -8.560 -11.444 18.721 1.00 0.00 C ATOM 937 C LEU A 60 -9.319 -10.735 19.844 1.00 0.00 C ATOM 938 O LEU A 60 -8.792 -10.509 20.915 1.00 0.00 O ATOM 939 CB LEU A 60 -8.168 -10.448 17.631 1.00 0.00 C ATOM 940 CG LEU A 60 -6.706 -10.045 17.813 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.837 -10.831 16.829 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.553 -8.546 17.548 1.00 0.00 C ATOM 0 H LEU A 60 -9.544 -12.301 17.032 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.690 -11.919 19.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.314 -10.893 16.647 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.808 -9.567 17.681 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.391 -10.265 18.833 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.793 -10.545 16.957 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.947 -11.899 17.019 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.151 -10.610 15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.510 -8.258 17.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.867 -8.323 16.528 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.173 -7.987 18.249 1.00 0.00 H new ATOM 954 N CYS A 61 -10.555 -10.385 19.610 1.00 0.00 N ATOM 955 CA CYS A 61 -11.342 -9.692 20.670 1.00 0.00 C ATOM 956 C CYS A 61 -11.406 -10.556 21.931 1.00 0.00 C ATOM 957 O CYS A 61 -11.607 -10.063 23.023 1.00 0.00 O ATOM 958 CB CYS A 61 -12.738 -9.512 20.073 1.00 0.00 C ATOM 959 SG CYS A 61 -12.627 -8.514 18.567 1.00 0.00 S ATOM 0 H CYS A 61 -11.052 -10.548 18.734 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.896 -8.740 20.959 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.176 -10.484 19.846 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.394 -9.027 20.796 1.00 0.00 H new ATOM 964 N LYS A 62 -11.234 -11.841 21.791 1.00 0.00 N ATOM 965 CA LYS A 62 -11.284 -12.733 22.984 1.00 0.00 C ATOM 966 C LYS A 62 -9.903 -13.338 23.229 1.00 0.00 C ATOM 967 O LYS A 62 -9.774 -14.485 23.610 1.00 0.00 O ATOM 968 CB LYS A 62 -12.292 -13.824 22.621 1.00 0.00 C ATOM 969 CG LYS A 62 -13.662 -13.191 22.360 1.00 0.00 C ATOM 970 CD LYS A 62 -14.717 -14.292 22.218 1.00 0.00 C ATOM 971 CE LYS A 62 -14.362 -15.192 21.033 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.097 -16.464 21.288 1.00 0.00 N ATOM 0 H LYS A 62 -11.061 -12.312 20.903 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.572 -12.204 23.892 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.955 -14.365 21.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.364 -14.551 23.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.927 -12.523 23.179 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.628 -12.587 21.454 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.768 -14.882 23.133 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.702 -13.849 22.069 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.667 -14.741 20.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.287 -15.361 20.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.905 -17.136 20.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.781 -16.873 22.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.118 -16.272 21.334 1.00 0.00 H new ATOM 986 N GLU A 63 -8.868 -12.578 23.003 1.00 0.00 N ATOM 987 CA GLU A 63 -7.492 -13.108 23.210 1.00 0.00 C ATOM 988 C GLU A 63 -6.649 -12.106 24.003 1.00 0.00 C ATOM 989 O GLU A 63 -6.756 -10.912 23.802 1.00 0.00 O ATOM 990 CB GLU A 63 -6.929 -13.266 21.795 1.00 0.00 C ATOM 991 CG GLU A 63 -6.748 -14.748 21.458 1.00 0.00 C ATOM 992 CD GLU A 63 -7.865 -15.577 22.098 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.000 -15.431 21.676 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.566 -16.346 22.997 1.00 0.00 O ATOM 0 H GLU A 63 -8.916 -11.611 22.683 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.486 -14.042 23.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.602 -12.802 21.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.973 -12.749 21.717 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.757 -14.886 20.377 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.778 -15.094 21.816 1.00 0.00 H new ATOM 1001 N PRO A 64 -5.828 -12.624 24.877 1.00 0.00 N ATOM 1002 CA PRO A 64 -4.950 -11.762 25.699 1.00 0.00 C ATOM 1003 C PRO A 64 -3.975 -10.997 24.801 1.00 0.00 C ATOM 1004 O PRO A 64 -3.502 -9.932 25.145 1.00 0.00 O ATOM 1005 CB PRO A 64 -4.212 -12.776 26.579 1.00 0.00 C ATOM 1006 CG PRO A 64 -4.703 -14.192 26.219 1.00 0.00 C ATOM 1007 CD PRO A 64 -5.733 -14.087 25.089 1.00 0.00 C ATOM 0 HA PRO A 64 -5.483 -11.006 26.275 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.136 -12.698 26.424 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.398 -12.568 27.633 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.864 -14.814 25.908 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.148 -14.670 27.092 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.403 -14.607 24.190 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.693 -14.519 25.373 1.00 0.00 H new ATOM 1015 N ASN A 65 -3.668 -11.535 23.651 1.00 0.00 N ATOM 1016 CA ASN A 65 -2.721 -10.842 22.732 1.00 0.00 C ATOM 1017 C ASN A 65 -3.442 -9.733 21.957 1.00 0.00 C ATOM 1018 O ASN A 65 -2.823 -8.840 21.416 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.229 -11.930 21.778 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.621 -13.079 22.584 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -0.935 -12.853 23.562 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.846 -14.310 22.214 1.00 0.00 N ATOM 0 H ASN A 65 -4.032 -12.424 23.309 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.900 -10.367 23.269 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.056 -12.296 21.170 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.487 -11.520 21.093 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.446 -15.083 22.745 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.422 -14.499 21.393 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.743 -9.786 21.899 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.499 -8.735 21.157 1.00 0.00 C ATOM 1031 C ALA A 66 -4.962 -7.345 21.509 1.00 0.00 C ATOM 1032 O ALA A 66 -4.714 -6.528 20.644 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.946 -8.882 21.627 1.00 0.00 C ATOM 0 H ALA A 66 -5.316 -10.510 22.332 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.406 -8.847 20.077 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.569 -8.141 21.125 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.307 -9.882 21.387 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.996 -8.728 22.705 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.781 -7.069 22.771 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.262 -5.732 23.176 1.00 0.00 C ATOM 1041 C GLN A 67 -2.950 -5.423 22.448 1.00 0.00 C ATOM 1042 O GLN A 67 -2.738 -4.326 21.970 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.023 -5.841 24.681 1.00 0.00 C ATOM 1044 CG GLN A 67 -3.703 -4.457 25.248 1.00 0.00 C ATOM 1045 CD GLN A 67 -3.451 -4.568 26.752 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.676 -5.606 27.343 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -2.992 -3.534 27.403 1.00 0.00 N ATOM 0 H GLN A 67 -4.970 -7.712 23.540 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.957 -4.930 22.927 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.906 -6.251 25.171 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.200 -6.527 24.881 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.826 -4.043 24.751 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.530 -3.774 25.057 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.803 -2.662 26.908 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.822 -3.597 28.407 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.067 -6.381 22.365 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.768 -6.138 21.672 1.00 0.00 C ATOM 1058 C GLU A 68 -0.943 -6.242 20.154 1.00 0.00 C ATOM 1059 O GLU A 68 -0.283 -5.559 19.397 1.00 0.00 O ATOM 1060 CB GLU A 68 0.164 -7.240 22.181 1.00 0.00 C ATOM 1061 CG GLU A 68 0.406 -7.050 23.679 1.00 0.00 C ATOM 1062 CD GLU A 68 1.369 -8.128 24.180 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.652 -9.039 23.420 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.805 -8.025 25.315 1.00 0.00 O ATOM 0 H GLU A 68 -2.188 -7.319 22.746 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.374 -5.142 21.875 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.277 -8.219 21.994 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.111 -7.208 21.642 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.821 -6.060 23.869 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.538 -7.110 24.221 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.824 -7.092 19.704 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.034 -7.237 18.234 1.00 0.00 C ATOM 1073 C ILE A 69 -2.561 -5.929 17.640 1.00 0.00 C ATOM 1074 O ILE A 69 -2.109 -5.479 16.606 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.081 -8.342 18.086 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.505 -9.671 18.580 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.473 -8.473 16.615 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.610 -10.732 18.593 1.00 0.00 C ATOM 0 H ILE A 69 -2.407 -7.692 20.288 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.107 -7.476 17.712 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.960 -8.089 18.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.688 -9.989 17.932 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.090 -9.550 19.581 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.219 -9.260 16.506 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.888 -7.528 16.263 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.592 -8.724 16.025 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.201 -11.679 18.945 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.412 -10.414 19.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.004 -10.859 17.585 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.516 -5.317 18.283 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.078 -4.042 17.751 1.00 0.00 C ATOM 1092 C LEU A 70 -2.953 -3.124 17.263 1.00 0.00 C ATOM 1093 O LEU A 70 -2.829 -2.858 16.083 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.818 -3.413 18.933 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.434 -2.074 18.510 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.437 -0.948 18.789 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.768 -2.103 17.016 1.00 0.00 C ATOM 0 H LEU A 70 -3.933 -5.644 19.155 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.738 -4.206 16.899 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.599 -4.087 19.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.130 -3.260 19.764 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.349 -1.903 19.077 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.872 0.006 18.489 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.205 -0.923 19.854 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.522 -1.123 18.223 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.205 -1.149 16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.857 -2.277 16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.480 -2.904 16.818 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.133 -2.637 18.153 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.023 -1.737 17.722 1.00 0.00 C ATOM 1111 C GLN A 71 -0.292 -2.341 16.521 1.00 0.00 C ATOM 1112 O GLN A 71 -0.153 -1.719 15.489 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.086 -1.649 18.926 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.813 -0.980 20.094 1.00 0.00 C ATOM 1115 CD GLN A 71 0.101 -0.968 21.321 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.889 -1.872 21.513 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.029 0.025 22.163 1.00 0.00 N ATOM 0 H GLN A 71 -2.182 -2.821 19.155 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.386 -0.755 17.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.246 -2.646 19.215 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.806 -1.079 18.665 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.094 0.038 19.826 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.735 -1.517 20.319 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.633 0.784 22.001 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.635 0.043 22.983 1.00 0.00 H new ATOM 1126 N ARG A 72 0.176 -3.552 16.650 1.00 0.00 N ATOM 1127 CA ARG A 72 0.898 -4.199 15.517 1.00 0.00 C ATOM 1128 C ARG A 72 0.071 -4.086 14.233 1.00 0.00 C ATOM 1129 O ARG A 72 0.510 -3.527 13.247 1.00 0.00 O ATOM 1130 CB ARG A 72 1.055 -5.661 15.930 1.00 0.00 C ATOM 1131 CG ARG A 72 1.973 -5.748 17.151 1.00 0.00 C ATOM 1132 CD ARG A 72 2.250 -7.216 17.480 1.00 0.00 C ATOM 1133 NE ARG A 72 3.188 -7.672 16.417 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.300 -8.275 16.740 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.499 -9.514 16.380 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.214 -7.639 17.422 1.00 0.00 N ATOM 0 H ARG A 72 0.090 -4.122 17.491 1.00 0.00 H new ATOM 0 HA ARG A 72 1.861 -3.729 15.317 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.081 -6.091 16.162 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.471 -6.241 15.106 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.909 -5.226 16.953 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.508 -5.255 18.005 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.692 -7.323 18.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.331 -7.803 17.476 1.00 0.00 H new ATOM 0 HE ARG A 72 2.961 -7.513 15.435 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.786 -10.011 15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.368 -9.985 16.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.059 -6.671 17.703 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.083 -8.111 17.674 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.124 -4.610 14.237 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.978 -4.529 13.016 1.00 0.00 C ATOM 1152 C LEU A 73 -1.930 -3.116 12.431 1.00 0.00 C ATOM 1153 O LEU A 73 -1.672 -2.929 11.259 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.390 -4.861 13.498 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.432 -6.308 13.990 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.879 -6.704 14.286 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.860 -7.231 12.911 1.00 0.00 C ATOM 0 H LEU A 73 -1.546 -5.090 15.031 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.644 -5.209 12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.681 -4.184 14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.105 -4.720 12.688 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.837 -6.400 14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.909 -7.736 14.637 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.286 -6.047 15.055 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.474 -6.612 13.378 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.890 -8.263 13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.454 -7.139 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.828 -6.949 12.700 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.176 -2.122 13.238 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.143 -0.721 12.729 1.00 0.00 C ATOM 1171 C GLU A 74 -0.829 -0.456 11.986 1.00 0.00 C ATOM 1172 O GLU A 74 -0.822 -0.089 10.827 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.232 0.157 13.976 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.543 -0.128 14.713 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.721 0.113 13.769 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.533 0.810 12.785 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.792 -0.403 14.045 1.00 0.00 O ATOM 0 H GLU A 74 -2.399 -2.218 14.229 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.953 -0.521 12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.384 -0.039 14.632 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.182 1.209 13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.555 -1.157 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.628 0.515 15.589 1.00 0.00 H new ATOM 1184 N GLU A 75 0.284 -0.632 12.647 1.00 0.00 N ATOM 1185 CA GLU A 75 1.598 -0.384 11.985 1.00 0.00 C ATOM 1186 C GLU A 75 1.687 -1.148 10.663 1.00 0.00 C ATOM 1187 O GLU A 75 1.910 -0.573 9.617 1.00 0.00 O ATOM 1188 CB GLU A 75 2.641 -0.905 12.975 1.00 0.00 C ATOM 1189 CG GLU A 75 4.044 -0.563 12.471 1.00 0.00 C ATOM 1190 CD GLU A 75 5.085 -1.157 13.422 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.685 -1.808 14.373 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.263 -0.951 13.183 1.00 0.00 O ATOM 0 H GLU A 75 0.340 -0.937 13.619 1.00 0.00 H new ATOM 0 HA GLU A 75 1.745 0.670 11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.478 -0.461 13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.539 -1.984 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.187 -0.958 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.167 0.518 12.410 1.00 0.00 H new ATOM 1199 N ILE A 76 1.514 -2.440 10.699 1.00 0.00 N ATOM 1200 CA ILE A 76 1.588 -3.232 9.441 1.00 0.00 C ATOM 1201 C ILE A 76 0.592 -2.679 8.418 1.00 0.00 C ATOM 1202 O ILE A 76 0.873 -2.602 7.239 1.00 0.00 O ATOM 1203 CB ILE A 76 1.212 -4.656 9.847 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.177 -5.148 10.928 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.302 -5.573 8.627 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.616 -4.839 10.509 1.00 0.00 C ATOM 0 H ILE A 76 1.325 -2.980 11.543 1.00 0.00 H new ATOM 0 HA ILE A 76 2.575 -3.192 8.979 1.00 0.00 H new ATOM 0 HB ILE A 76 0.194 -4.668 10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.952 -4.664 11.878 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.054 -6.220 11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.034 -6.589 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.616 -5.222 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.320 -5.563 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.303 -5.190 11.280 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.837 -5.344 9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.734 -3.763 10.380 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.565 -2.277 8.867 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.573 -1.714 7.926 1.00 0.00 C ATOM 1220 C ALA A 77 -0.974 -0.515 7.190 1.00 0.00 C ATOM 1221 O ALA A 77 -1.289 -0.253 6.045 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.740 -1.276 8.811 1.00 0.00 C ATOM 0 H ALA A 77 -0.856 -2.314 9.844 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.889 -2.432 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.527 -0.849 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.131 -2.139 9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.395 -0.528 9.525 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.109 0.213 7.841 1.00 0.00 N ATOM 1229 CA GLU A 78 0.519 1.394 7.187 1.00 0.00 C ATOM 1230 C GLU A 78 1.284 0.958 5.934 1.00 0.00 C ATOM 1231 O GLU A 78 1.215 1.592 4.900 1.00 0.00 O ATOM 1232 CB GLU A 78 1.480 1.959 8.233 1.00 0.00 C ATOM 1233 CG GLU A 78 2.249 3.140 7.638 1.00 0.00 C ATOM 1234 CD GLU A 78 3.261 3.656 8.663 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.393 3.032 9.703 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.887 4.667 8.391 1.00 0.00 O ATOM 0 H GLU A 78 0.190 0.040 8.801 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.217 2.132 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.926 2.280 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.176 1.185 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.762 2.832 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.558 3.936 7.361 1.00 0.00 H new ATOM 1243 N ASP A 79 2.015 -0.121 6.019 1.00 0.00 N ATOM 1244 CA ASP A 79 2.784 -0.593 4.832 1.00 0.00 C ATOM 1245 C ASP A 79 2.870 -2.123 4.831 1.00 0.00 C ATOM 1246 O ASP A 79 2.738 -2.752 5.861 1.00 0.00 O ATOM 1247 CB ASP A 79 4.176 0.021 4.991 1.00 0.00 C ATOM 1248 CG ASP A 79 4.380 1.103 3.930 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.415 1.775 3.603 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.498 1.243 3.462 1.00 0.00 O ATOM 0 H ASP A 79 2.113 -0.694 6.857 1.00 0.00 H new ATOM 0 HA ASP A 79 2.314 -0.300 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.285 0.449 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.939 -0.751 4.890 1.00 0.00 H new ATOM 1255 N PRO A 80 3.092 -2.672 3.666 1.00 0.00 N ATOM 1256 CA PRO A 80 3.199 -4.142 3.519 1.00 0.00 C ATOM 1257 C PRO A 80 4.373 -4.681 4.339 1.00 0.00 C ATOM 1258 O PRO A 80 4.241 -5.644 5.067 1.00 0.00 O ATOM 1259 CB PRO A 80 3.451 -4.310 2.017 1.00 0.00 C ATOM 1260 CG PRO A 80 3.479 -2.916 1.359 1.00 0.00 C ATOM 1261 CD PRO A 80 3.247 -1.853 2.441 1.00 0.00 C ATOM 0 HA PRO A 80 2.321 -4.684 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.396 -4.826 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.669 -4.923 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.437 -2.750 0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.709 -2.846 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.087 -1.162 2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.359 -1.254 2.238 1.00 0.00 H new ATOM 1269 N GLY A 81 5.522 -4.073 4.225 1.00 0.00 N ATOM 1270 CA GLY A 81 6.697 -4.560 4.997 1.00 0.00 C ATOM 1271 C GLY A 81 7.228 -5.837 4.347 1.00 0.00 C ATOM 1272 O GLY A 81 7.277 -5.955 3.138 1.00 0.00 O ATOM 0 H GLY A 81 5.697 -3.262 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.475 -3.797 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.413 -4.755 6.031 1.00 0.00 H new ATOM 1276 N THR A 82 7.620 -6.797 5.136 1.00 0.00 N ATOM 1277 CA THR A 82 8.139 -8.066 4.558 1.00 0.00 C ATOM 1278 C THR A 82 6.974 -9.000 4.217 1.00 0.00 C ATOM 1279 O THR A 82 7.119 -9.951 3.474 1.00 0.00 O ATOM 1280 CB THR A 82 9.013 -8.675 5.654 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.190 -9.108 6.728 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.006 -7.627 6.160 1.00 0.00 C ATOM 0 H THR A 82 7.603 -6.758 6.155 1.00 0.00 H new ATOM 0 HA THR A 82 8.700 -7.904 3.637 1.00 0.00 H new ATOM 0 HB THR A 82 9.562 -9.526 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.722 -9.645 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.628 -8.063 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.637 -7.296 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.461 -6.774 6.564 1.00 0.00 H new ATOM 1290 N CYS A 83 5.818 -8.733 4.755 1.00 0.00 N ATOM 1291 CA CYS A 83 4.646 -9.606 4.462 1.00 0.00 C ATOM 1292 C CYS A 83 4.396 -9.657 2.953 1.00 0.00 C ATOM 1293 O CYS A 83 4.227 -10.714 2.376 1.00 0.00 O ATOM 1294 CB CYS A 83 3.470 -8.945 5.184 1.00 0.00 C ATOM 1295 SG CYS A 83 1.952 -9.870 4.843 1.00 0.00 S ATOM 0 H CYS A 83 5.633 -7.951 5.383 1.00 0.00 H new ATOM 0 HA CYS A 83 4.798 -10.633 4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.658 -8.918 6.257 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.361 -7.912 4.853 1.00 0.00 H new ATOM 1300 N GLU A 84 4.363 -8.522 2.311 1.00 0.00 N ATOM 1301 CA GLU A 84 4.112 -8.498 0.840 1.00 0.00 C ATOM 1302 C GLU A 84 5.212 -9.243 0.077 1.00 0.00 C ATOM 1303 O GLU A 84 4.982 -9.768 -0.994 1.00 0.00 O ATOM 1304 CB GLU A 84 4.121 -7.016 0.468 1.00 0.00 C ATOM 1305 CG GLU A 84 3.769 -6.860 -1.013 1.00 0.00 C ATOM 1306 CD GLU A 84 3.913 -5.392 -1.421 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.301 -4.600 -0.578 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.633 -5.086 -2.568 1.00 0.00 O ATOM 0 H GLU A 84 4.499 -7.607 2.742 1.00 0.00 H new ATOM 0 HA GLU A 84 3.174 -8.990 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.404 -6.471 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.103 -6.586 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.425 -7.483 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.749 -7.200 -1.193 1.00 0.00 H new ATOM 1315 N ILE A 85 6.406 -9.294 0.606 1.00 0.00 N ATOM 1316 CA ILE A 85 7.500 -10.007 -0.117 1.00 0.00 C ATOM 1317 C ILE A 85 7.662 -11.428 0.432 1.00 0.00 C ATOM 1318 O ILE A 85 8.578 -12.142 0.073 1.00 0.00 O ATOM 1319 CB ILE A 85 8.760 -9.172 0.128 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.202 -9.317 1.584 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.460 -7.701 -0.168 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.315 -8.311 1.881 1.00 0.00 C ATOM 0 H ILE A 85 6.670 -8.877 1.499 1.00 0.00 H new ATOM 0 HA ILE A 85 7.292 -10.108 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 85 9.558 -9.523 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.356 -9.147 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.555 -10.332 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.356 -7.105 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.150 -7.595 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.661 -7.354 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.631 -8.414 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.163 -8.502 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.946 -7.299 1.713 1.00 0.00 H new ATOM 1334 N CYS A 86 6.776 -11.844 1.295 1.00 0.00 N ATOM 1335 CA CYS A 86 6.869 -13.220 1.863 1.00 0.00 C ATOM 1336 C CYS A 86 8.179 -13.397 2.635 1.00 0.00 C ATOM 1337 O CYS A 86 8.587 -14.500 2.938 1.00 0.00 O ATOM 1338 CB CYS A 86 6.836 -14.151 0.651 1.00 0.00 C ATOM 1339 SG CYS A 86 5.463 -13.682 -0.434 1.00 0.00 S ATOM 0 H CYS A 86 5.989 -11.289 1.632 1.00 0.00 H new ATOM 0 HA CYS A 86 6.061 -13.427 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.779 -14.092 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.720 -15.185 0.976 1.00 0.00 H new ATOM 1344 N ALA A 87 8.839 -12.321 2.963 1.00 0.00 N ATOM 1345 CA ALA A 87 10.118 -12.438 3.720 1.00 0.00 C ATOM 1346 C ALA A 87 9.842 -12.971 5.127 1.00 0.00 C ATOM 1347 O ALA A 87 10.731 -13.433 5.814 1.00 0.00 O ATOM 1348 CB ALA A 87 10.678 -11.017 3.779 1.00 0.00 C ATOM 0 H ALA A 87 8.550 -11.368 2.741 1.00 0.00 H new ATOM 0 HA ALA A 87 10.820 -13.127 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.623 -11.020 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.843 -10.649 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.968 -10.367 4.290 1.00 0.00 H new ATOM 1354 N TYR A 88 8.610 -12.916 5.557 1.00 0.00 N ATOM 1355 CA TYR A 88 8.267 -13.423 6.916 1.00 0.00 C ATOM 1356 C TYR A 88 6.944 -14.194 6.867 1.00 0.00 C ATOM 1357 O TYR A 88 6.213 -14.130 5.900 1.00 0.00 O ATOM 1358 CB TYR A 88 8.125 -12.173 7.786 1.00 0.00 C ATOM 1359 CG TYR A 88 9.494 -11.683 8.195 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.328 -11.071 7.252 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.930 -11.842 9.516 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.596 -10.615 7.630 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.199 -11.387 9.893 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.032 -10.774 8.950 1.00 0.00 C ATOM 1365 OH TYR A 88 13.283 -10.325 9.323 1.00 0.00 O ATOM 0 H TYR A 88 7.825 -12.541 5.024 1.00 0.00 H new ATOM 0 HA TYR A 88 9.023 -14.104 7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.598 -11.393 7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.529 -12.399 8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.993 -10.951 6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.288 -12.315 10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.238 -10.140 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.535 -11.509 10.912 1.00 0.00 H new ATOM 0 HH TYR A 88 13.428 -10.512 10.274 1.00 0.00 H new ATOM 1375 N ALA A 89 6.634 -14.925 7.902 1.00 0.00 N ATOM 1376 CA ALA A 89 5.359 -15.700 7.913 1.00 0.00 C ATOM 1377 C ALA A 89 4.168 -14.762 8.140 1.00 0.00 C ATOM 1378 O ALA A 89 3.036 -15.193 8.232 1.00 0.00 O ATOM 1379 CB ALA A 89 5.502 -16.678 9.078 1.00 0.00 C ATOM 0 H ALA A 89 7.207 -15.020 8.740 1.00 0.00 H new ATOM 0 HA ALA A 89 5.180 -16.214 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.602 -17.288 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.364 -17.323 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.643 -16.122 10.005 1.00 0.00 H new ATOM 1385 N ALA A 90 4.415 -13.485 8.238 1.00 0.00 N ATOM 1386 CA ALA A 90 3.297 -12.523 8.465 1.00 0.00 C ATOM 1387 C ALA A 90 2.311 -12.557 7.292 1.00 0.00 C ATOM 1388 O ALA A 90 1.126 -12.359 7.464 1.00 0.00 O ATOM 1389 CB ALA A 90 3.967 -11.153 8.558 1.00 0.00 C ATOM 0 H ALA A 90 5.342 -13.065 8.171 1.00 0.00 H new ATOM 0 HA ALA A 90 2.727 -12.764 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.209 -10.388 8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.675 -11.150 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.496 -10.943 7.628 1.00 0.00 H new ATOM 1395 N CYS A 91 2.792 -12.799 6.102 1.00 0.00 N ATOM 1396 CA CYS A 91 1.876 -12.834 4.925 1.00 0.00 C ATOM 1397 C CYS A 91 1.591 -14.278 4.506 1.00 0.00 C ATOM 1398 O CYS A 91 2.478 -15.007 4.111 1.00 0.00 O ATOM 1399 CB CYS A 91 2.628 -12.104 3.816 1.00 0.00 C ATOM 1400 SG CYS A 91 1.609 -10.748 3.184 1.00 0.00 S ATOM 0 H CYS A 91 3.775 -12.973 5.894 1.00 0.00 H new ATOM 0 HA CYS A 91 0.914 -12.372 5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.572 -11.716 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.870 -12.797 3.010 1.00 0.00 H new ATOM 1405 N THR A 92 0.358 -14.693 4.588 1.00 0.00 N ATOM 1406 CA THR A 92 0.015 -16.089 4.192 1.00 0.00 C ATOM 1407 C THR A 92 -0.701 -16.092 2.840 1.00 0.00 C ATOM 1408 O THR A 92 -1.270 -15.101 2.426 1.00 0.00 O ATOM 1409 CB THR A 92 -0.910 -16.593 5.299 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.191 -15.994 5.152 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.321 -16.221 6.661 1.00 0.00 C ATOM 0 H THR A 92 -0.427 -14.128 4.912 1.00 0.00 H new ATOM 0 HA THR A 92 0.896 -16.721 4.081 1.00 0.00 H new ATOM 0 HB THR A 92 -1.007 -17.677 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.786 -16.317 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.979 -16.580 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.661 -16.680 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.225 -15.138 6.732 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.677 -17.198 2.147 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.353 -17.263 0.821 1.00 0.00 C ATOM 1421 C GLY A 93 -0.321 -17.035 -0.285 1.00 0.00 C ATOM 1422 O GLY A 93 -0.485 -17.481 -1.402 1.00 0.00 O ATOM 0 H GLY A 93 -0.218 -18.060 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.833 -18.233 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.138 -16.509 0.763 1.00 0.00 H new ATOM 1426 N CYS A 94 0.743 -16.343 0.020 1.00 0.00 N ATOM 1427 CA CYS A 94 1.788 -16.086 -1.012 1.00 0.00 C ATOM 1428 C CYS A 94 2.138 -17.383 -1.748 1.00 0.00 C ATOM 1429 O CYS A 94 2.974 -18.117 -1.246 1.00 0.00 O ATOM 1430 CB CYS A 94 2.996 -15.570 -0.231 1.00 0.00 C ATOM 1431 SG CYS A 94 4.132 -14.727 -1.361 1.00 0.00 S ATOM 1432 OXT CYS A 94 1.566 -17.617 -2.799 1.00 0.00 O ATOM 0 H CYS A 94 0.934 -15.944 0.939 1.00 0.00 H new ATOM 0 HA CYS A 94 1.456 -15.374 -1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.670 -14.885 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.505 -16.399 0.262 1.00 0.00 H new