USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 7 THR OG1 : rot 180:sc= 0.234 USER MOD Set 1.2: A 9 THR OG1 : rot -74:sc= -0.0971 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.29 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.119 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= -0.202 (180deg=-2.13) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= -6.1! C(o=-6.1!,f=-8.7!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0.117 (180deg=0.116) USER MOD Single : A 49 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.8) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00818 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.596 1.864 1.394 1.00 0.00 N ATOM 21 CA GLN A 2 -13.997 2.717 2.415 1.00 0.00 C ATOM 22 C GLN A 2 -12.877 1.982 3.147 1.00 0.00 C ATOM 23 O GLN A 2 -12.991 0.790 3.435 1.00 0.00 O ATOM 24 CB GLN A 2 -15.060 3.178 3.415 1.00 0.00 C ATOM 25 CG GLN A 2 -16.036 4.192 2.840 1.00 0.00 C ATOM 26 CD GLN A 2 -17.240 4.417 3.739 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.409 3.731 4.746 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.085 5.382 3.379 1.00 0.00 N ATOM 0 HA GLN A 2 -13.573 3.591 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.617 2.310 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.566 3.614 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.521 5.140 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.376 3.850 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.907 5.927 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.910 5.575 3.947 1.00 0.00 H new ATOM 37 N ILE A 3 -11.794 2.696 3.448 1.00 0.00 N ATOM 38 CA ILE A 3 -10.660 2.103 4.146 1.00 0.00 C ATOM 39 C ILE A 3 -10.109 3.059 5.204 1.00 0.00 C ATOM 40 O ILE A 3 -10.242 4.276 5.078 1.00 0.00 O ATOM 41 CB ILE A 3 -9.533 1.725 3.162 1.00 0.00 C ATOM 42 CG1 ILE A 3 -8.418 0.967 3.885 1.00 0.00 C ATOM 43 CG2 ILE A 3 -8.978 2.968 2.480 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.871 -0.344 4.491 1.00 0.00 C ATOM 0 H ILE A 3 -11.680 3.683 3.219 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.020 1.197 4.634 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.952 1.071 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.608 0.772 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.011 1.601 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.184 2.681 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.775 3.467 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.577 3.647 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.028 -0.826 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.660 -0.155 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.251 -0.996 3.705 1.00 0.00 H new ATOM 56 N PHE A 4 -9.494 2.504 6.248 1.00 0.00 N ATOM 57 CA PHE A 4 -8.932 3.320 7.319 1.00 0.00 C ATOM 58 C PHE A 4 -7.422 3.115 7.424 1.00 0.00 C ATOM 59 O PHE A 4 -6.946 2.362 8.274 1.00 0.00 O ATOM 60 CB PHE A 4 -9.606 2.981 8.652 1.00 0.00 C ATOM 61 CG PHE A 4 -10.065 4.189 9.417 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.822 5.170 8.798 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.739 4.343 10.755 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.246 6.283 9.500 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.159 5.454 11.461 1.00 0.00 C ATOM 66 CZ PHE A 4 -10.914 6.425 10.832 1.00 0.00 C ATOM 0 H PHE A 4 -9.374 1.499 6.373 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.119 4.368 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.463 2.334 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.909 2.414 9.269 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.084 5.064 7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.150 3.586 11.252 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.837 7.041 9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.897 5.563 12.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.244 7.294 11.382 1.00 0.00 H new ATOM 76 N VAL A 5 -6.673 3.793 6.557 1.00 0.00 N ATOM 77 CA VAL A 5 -5.220 3.686 6.555 1.00 0.00 C ATOM 78 C VAL A 5 -4.574 5.065 6.447 1.00 0.00 C ATOM 79 O VAL A 5 -4.963 5.877 5.607 1.00 0.00 O ATOM 80 CB VAL A 5 -4.724 2.799 5.395 1.00 0.00 C ATOM 81 CG1 VAL A 5 -5.126 3.392 4.054 1.00 0.00 C ATOM 82 CG2 VAL A 5 -3.216 2.610 5.473 1.00 0.00 C ATOM 0 H VAL A 5 -7.050 4.422 5.848 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.930 3.225 7.499 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.195 1.820 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.766 2.750 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.212 3.467 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.688 4.385 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.885 1.981 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.724 3.581 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.958 2.132 6.418 1.00 0.00 H new ATOM 92 N LYS A 6 -3.588 5.330 7.301 1.00 0.00 N ATOM 93 CA LYS A 6 -2.901 6.615 7.294 1.00 0.00 C ATOM 94 C LYS A 6 -1.496 6.483 6.712 1.00 0.00 C ATOM 95 O LYS A 6 -1.023 5.376 6.452 1.00 0.00 O ATOM 96 CB LYS A 6 -2.825 7.185 8.711 1.00 0.00 C ATOM 97 CG LYS A 6 -4.186 7.410 9.349 1.00 0.00 C ATOM 98 CD LYS A 6 -4.581 6.246 10.244 1.00 0.00 C ATOM 99 CE LYS A 6 -5.385 6.715 11.446 1.00 0.00 C ATOM 100 NZ LYS A 6 -6.329 5.669 11.924 1.00 0.00 N ATOM 0 H LYS A 6 -3.249 4.673 8.004 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.472 7.297 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.247 6.505 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.284 8.131 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.167 8.330 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.937 7.542 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.167 5.528 9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.685 5.727 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.705 6.987 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.942 7.614 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.858 6.028 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.994 5.427 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.796 4.820 12.200 1.00 0.00 H new ATOM 114 N THR A 7 -0.830 7.619 6.510 1.00 0.00 N ATOM 115 CA THR A 7 0.522 7.625 5.961 1.00 0.00 C ATOM 116 C THR A 7 1.552 7.794 7.074 1.00 0.00 C ATOM 117 O THR A 7 1.199 7.826 8.252 1.00 0.00 O ATOM 118 CB THR A 7 0.670 8.740 4.920 1.00 0.00 C ATOM 119 OG1 THR A 7 0.885 9.996 5.545 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.537 8.869 4.011 1.00 0.00 C ATOM 0 H THR A 7 -1.205 8.544 6.718 1.00 0.00 H new ATOM 0 HA THR A 7 0.700 6.667 5.472 1.00 0.00 H new ATOM 0 HB THR A 7 1.532 8.458 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.978 10.691 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.370 9.675 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.689 7.933 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.421 9.091 4.609 1.00 0.00 H new ATOM 128 N LEU A 8 2.831 7.906 6.704 1.00 0.00 N ATOM 129 CA LEU A 8 3.895 8.073 7.692 1.00 0.00 C ATOM 130 C LEU A 8 3.807 9.425 8.420 1.00 0.00 C ATOM 131 O LEU A 8 4.595 9.691 9.327 1.00 0.00 O ATOM 132 CB LEU A 8 5.273 7.888 7.041 1.00 0.00 C ATOM 133 CG LEU A 8 5.864 9.132 6.371 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.326 8.904 6.019 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.066 9.498 5.127 1.00 0.00 C ATOM 0 H LEU A 8 3.151 7.884 5.736 1.00 0.00 H new ATOM 0 HA LEU A 8 3.760 7.298 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.971 7.542 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.199 7.097 6.295 1.00 0.00 H new ATOM 0 HG LEU A 8 5.805 9.963 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.730 9.798 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.890 8.690 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.408 8.060 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.500 10.384 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.093 8.669 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.032 9.703 5.405 1.00 0.00 H new ATOM 147 N THR A 9 2.862 10.284 8.020 1.00 0.00 N ATOM 148 CA THR A 9 2.712 11.596 8.644 1.00 0.00 C ATOM 149 C THR A 9 1.577 11.599 9.669 1.00 0.00 C ATOM 150 O THR A 9 1.731 12.136 10.766 1.00 0.00 O ATOM 151 CB THR A 9 2.445 12.663 7.576 1.00 0.00 C ATOM 152 OG1 THR A 9 1.067 12.712 7.250 1.00 0.00 O ATOM 153 CG2 THR A 9 3.211 12.434 6.290 1.00 0.00 C ATOM 0 H THR A 9 2.196 10.093 7.272 1.00 0.00 H new ATOM 0 HA THR A 9 3.643 11.825 9.163 1.00 0.00 H new ATOM 0 HB THR A 9 2.783 13.601 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.831 11.929 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.974 13.226 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.281 12.441 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.930 11.470 5.866 1.00 0.00 H new ATOM 161 N GLY A 10 0.440 10.999 9.315 1.00 0.00 N ATOM 162 CA GLY A 10 -0.684 10.960 10.234 1.00 0.00 C ATOM 163 C GLY A 10 -2.032 11.136 9.551 1.00 0.00 C ATOM 164 O GLY A 10 -3.050 10.668 10.061 1.00 0.00 O ATOM 0 H GLY A 10 0.280 10.544 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.676 10.008 10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.559 11.743 10.982 1.00 0.00 H new ATOM 168 N LYS A 11 -2.054 11.810 8.399 1.00 0.00 N ATOM 169 CA LYS A 11 -3.304 12.033 7.676 1.00 0.00 C ATOM 170 C LYS A 11 -3.783 10.745 7.007 1.00 0.00 C ATOM 171 O LYS A 11 -2.977 9.951 6.522 1.00 0.00 O ATOM 172 CB LYS A 11 -3.130 13.132 6.623 1.00 0.00 C ATOM 173 CG LYS A 11 -4.435 13.566 5.975 1.00 0.00 C ATOM 174 CD LYS A 11 -4.535 13.081 4.538 1.00 0.00 C ATOM 175 CE LYS A 11 -5.704 13.727 3.812 1.00 0.00 C ATOM 176 NZ LYS A 11 -7.013 13.328 4.399 1.00 0.00 N ATOM 0 H LYS A 11 -1.228 12.207 7.952 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.056 12.352 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.659 13.998 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.450 12.777 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.275 13.176 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.510 14.653 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.608 13.308 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.652 11.997 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.603 14.811 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.678 13.445 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.745 13.350 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.941 12.366 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.268 13.989 5.160 1.00 0.00 H new ATOM 190 N THR A 12 -5.101 10.542 6.988 1.00 0.00 N ATOM 191 CA THR A 12 -5.681 9.347 6.383 1.00 0.00 C ATOM 192 C THR A 12 -6.127 9.617 4.948 1.00 0.00 C ATOM 193 O THR A 12 -6.517 10.735 4.610 1.00 0.00 O ATOM 194 CB THR A 12 -6.868 8.853 7.212 1.00 0.00 C ATOM 195 OG1 THR A 12 -7.393 7.654 6.672 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.000 9.855 7.292 1.00 0.00 C ATOM 0 H THR A 12 -5.783 11.189 7.384 1.00 0.00 H new ATOM 0 HA THR A 12 -4.911 8.575 6.364 1.00 0.00 H new ATOM 0 HB THR A 12 -6.473 8.694 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.661 7.104 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.809 9.442 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.639 10.775 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.367 10.070 6.288 1.00 0.00 H new ATOM 204 N ILE A 13 -6.067 8.587 4.105 1.00 0.00 N ATOM 205 CA ILE A 13 -6.466 8.716 2.709 1.00 0.00 C ATOM 206 C ILE A 13 -7.527 7.680 2.343 1.00 0.00 C ATOM 207 O ILE A 13 -7.581 6.601 2.934 1.00 0.00 O ATOM 208 CB ILE A 13 -5.257 8.562 1.765 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.677 8.793 0.311 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.627 7.186 1.928 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.537 8.669 -0.675 1.00 0.00 C ATOM 0 H ILE A 13 -5.746 7.655 4.367 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.885 9.715 2.587 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.514 9.314 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.454 8.075 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.117 9.786 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.775 7.094 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.291 7.059 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.363 6.418 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.908 8.845 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.769 9.405 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.111 7.667 -0.615 1.00 0.00 H new ATOM 223 N THR A 14 -8.368 8.007 1.362 1.00 0.00 N ATOM 224 CA THR A 14 -9.419 7.096 0.923 1.00 0.00 C ATOM 225 C THR A 14 -8.964 6.291 -0.293 1.00 0.00 C ATOM 226 O THR A 14 -8.382 6.843 -1.227 1.00 0.00 O ATOM 227 CB THR A 14 -10.695 7.873 0.587 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.871 8.968 1.475 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.948 7.023 0.648 1.00 0.00 C ATOM 0 H THR A 14 -8.340 8.894 0.859 1.00 0.00 H new ATOM 0 HA THR A 14 -9.630 6.405 1.739 1.00 0.00 H new ATOM 0 HB THR A 14 -10.559 8.218 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.691 9.451 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.815 7.635 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.866 6.203 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.065 6.619 1.654 1.00 0.00 H new ATOM 237 N LEU A 15 -9.227 4.985 -0.277 1.00 0.00 N ATOM 238 CA LEU A 15 -8.834 4.119 -1.383 1.00 0.00 C ATOM 239 C LEU A 15 -9.941 3.122 -1.722 1.00 0.00 C ATOM 240 O LEU A 15 -10.621 2.610 -0.832 1.00 0.00 O ATOM 241 CB LEU A 15 -7.544 3.372 -1.038 1.00 0.00 C ATOM 242 CG LEU A 15 -6.258 4.042 -1.525 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.125 3.804 -0.539 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.881 3.526 -2.906 1.00 0.00 C ATOM 0 H LEU A 15 -9.708 4.507 0.485 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.661 4.747 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.488 3.256 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.597 2.370 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.433 5.116 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.219 4.288 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.394 4.220 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.949 2.733 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.964 4.012 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.724 2.448 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.684 3.747 -3.609 1.00 0.00 H new ATOM 256 N GLU A 16 -10.113 2.844 -3.013 1.00 0.00 N ATOM 257 CA GLU A 16 -11.134 1.903 -3.463 1.00 0.00 C ATOM 258 C GLU A 16 -10.513 0.546 -3.788 1.00 0.00 C ATOM 259 O GLU A 16 -9.374 0.473 -4.250 1.00 0.00 O ATOM 260 CB GLU A 16 -11.860 2.452 -4.693 1.00 0.00 C ATOM 261 CG GLU A 16 -12.707 3.681 -4.400 1.00 0.00 C ATOM 262 CD GLU A 16 -14.034 3.661 -5.131 1.00 0.00 C ATOM 263 OE1 GLU A 16 -14.612 2.564 -5.284 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.498 4.743 -5.551 1.00 0.00 O ATOM 0 H GLU A 16 -9.559 3.257 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.854 1.772 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.125 2.701 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.498 1.671 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.888 3.746 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.153 4.576 -4.684 1.00 0.00 H new ATOM 271 N VAL A 17 -11.262 -0.527 -3.543 1.00 0.00 N ATOM 272 CA VAL A 17 -10.772 -1.874 -3.811 1.00 0.00 C ATOM 273 C VAL A 17 -11.869 -2.756 -4.401 1.00 0.00 C ATOM 274 O VAL A 17 -13.017 -2.712 -3.959 1.00 0.00 O ATOM 275 CB VAL A 17 -10.226 -2.538 -2.534 1.00 0.00 C ATOM 276 CG1 VAL A 17 -9.543 -3.856 -2.866 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.272 -1.601 -1.811 1.00 0.00 C ATOM 0 H VAL A 17 -12.207 -0.489 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.963 -1.775 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.064 -2.748 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.164 -4.310 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.260 -4.530 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.715 -3.674 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.896 -2.088 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.436 -1.356 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.798 -0.687 -1.536 1.00 0.00 H new ATOM 287 N GLU A 18 -11.509 -3.563 -5.400 1.00 0.00 N ATOM 288 CA GLU A 18 -12.465 -4.457 -6.042 1.00 0.00 C ATOM 289 C GLU A 18 -12.203 -5.904 -5.632 1.00 0.00 C ATOM 290 O GLU A 18 -11.128 -6.227 -5.128 1.00 0.00 O ATOM 291 CB GLU A 18 -12.378 -4.316 -7.563 1.00 0.00 C ATOM 292 CG GLU A 18 -11.043 -4.761 -8.140 1.00 0.00 C ATOM 293 CD GLU A 18 -11.075 -4.889 -9.651 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.058 -5.450 -10.178 1.00 0.00 O ATOM 295 OE2 GLU A 18 -10.116 -4.428 -10.306 1.00 0.00 O ATOM 0 H GLU A 18 -10.564 -3.614 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.469 -4.182 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.175 -4.902 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.552 -3.275 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.272 -4.045 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.764 -5.720 -7.704 1.00 0.00 H new ATOM 302 N PRO A 19 -13.182 -6.800 -5.841 1.00 0.00 N ATOM 303 CA PRO A 19 -13.040 -8.215 -5.487 1.00 0.00 C ATOM 304 C PRO A 19 -11.724 -8.807 -5.990 1.00 0.00 C ATOM 305 O PRO A 19 -10.953 -9.374 -5.215 1.00 0.00 O ATOM 306 CB PRO A 19 -14.229 -8.872 -6.185 1.00 0.00 C ATOM 307 CG PRO A 19 -15.258 -7.799 -6.260 1.00 0.00 C ATOM 308 CD PRO A 19 -14.502 -6.510 -6.437 1.00 0.00 C ATOM 0 HA PRO A 19 -13.025 -8.370 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.957 -9.231 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.593 -9.732 -5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.939 -7.969 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.863 -7.775 -5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.416 -6.236 -7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.998 -5.681 -5.931 1.00 0.00 H new ATOM 316 N SER A 20 -11.468 -8.670 -7.291 1.00 0.00 N ATOM 317 CA SER A 20 -10.241 -9.190 -7.892 1.00 0.00 C ATOM 318 C SER A 20 -9.114 -8.149 -7.876 1.00 0.00 C ATOM 319 O SER A 20 -8.387 -8.005 -8.858 1.00 0.00 O ATOM 320 CB SER A 20 -10.505 -9.646 -9.328 1.00 0.00 C ATOM 321 OG SER A 20 -10.867 -8.551 -10.154 1.00 0.00 O ATOM 0 H SER A 20 -12.094 -8.204 -7.948 1.00 0.00 H new ATOM 0 HA SER A 20 -9.920 -10.042 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.614 -10.129 -9.729 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.301 -10.390 -9.336 1.00 0.00 H new ATOM 0 HG SER A 20 -11.029 -8.869 -11.067 1.00 0.00 H new ATOM 327 N ASP A 21 -8.966 -7.426 -6.765 1.00 0.00 N ATOM 328 CA ASP A 21 -7.919 -6.412 -6.656 1.00 0.00 C ATOM 329 C ASP A 21 -6.542 -7.060 -6.513 1.00 0.00 C ATOM 330 O ASP A 21 -6.147 -7.460 -5.418 1.00 0.00 O ATOM 331 CB ASP A 21 -8.180 -5.488 -5.463 1.00 0.00 C ATOM 332 CG ASP A 21 -7.314 -4.245 -5.493 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.149 -4.321 -5.049 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.802 -3.194 -5.960 1.00 0.00 O ATOM 0 H ASP A 21 -9.552 -7.523 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.935 -5.822 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.230 -5.196 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.995 -6.034 -4.538 1.00 0.00 H new ATOM 339 N THR A 22 -5.814 -7.159 -7.624 1.00 0.00 N ATOM 340 CA THR A 22 -4.482 -7.758 -7.610 1.00 0.00 C ATOM 341 C THR A 22 -3.428 -6.722 -7.225 1.00 0.00 C ATOM 342 O THR A 22 -3.455 -5.589 -7.708 1.00 0.00 O ATOM 343 CB THR A 22 -4.144 -8.362 -8.977 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.714 -7.358 -9.884 1.00 0.00 O ATOM 345 CG2 THR A 22 -5.307 -9.096 -9.614 1.00 0.00 C ATOM 0 H THR A 22 -6.122 -6.834 -8.540 1.00 0.00 H new ATOM 0 HA THR A 22 -4.481 -8.554 -6.865 1.00 0.00 H new ATOM 0 HB THR A 22 -3.347 -9.080 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.502 -7.767 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.999 -9.498 -10.579 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.622 -9.913 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.138 -8.406 -9.758 1.00 0.00 H new ATOM 353 N ILE A 23 -2.498 -7.112 -6.355 1.00 0.00 N ATOM 354 CA ILE A 23 -1.439 -6.205 -5.917 1.00 0.00 C ATOM 355 C ILE A 23 -0.479 -5.892 -7.065 1.00 0.00 C ATOM 356 O ILE A 23 0.646 -6.390 -7.097 1.00 0.00 O ATOM 357 CB ILE A 23 -0.642 -6.788 -4.728 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.582 -7.108 -3.563 1.00 0.00 C ATOM 359 CG2 ILE A 23 0.443 -5.817 -4.284 1.00 0.00 C ATOM 360 CD1 ILE A 23 -0.876 -7.704 -2.364 1.00 0.00 C ATOM 0 H ILE A 23 -2.456 -8.044 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.925 -5.285 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.164 -7.712 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.093 -6.195 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.349 -7.803 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.993 -6.245 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.128 -5.633 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.014 -4.877 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.603 -7.906 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.388 -8.634 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.128 -7.002 -1.996 1.00 0.00 H new ATOM 372 N GLU A 24 -0.931 -5.064 -8.006 1.00 0.00 N ATOM 373 CA GLU A 24 -0.105 -4.689 -9.151 1.00 0.00 C ATOM 374 C GLU A 24 -0.592 -3.380 -9.773 1.00 0.00 C ATOM 375 O GLU A 24 0.152 -2.402 -9.843 1.00 0.00 O ATOM 376 CB GLU A 24 -0.119 -5.804 -10.200 1.00 0.00 C ATOM 377 CG GLU A 24 1.080 -6.734 -10.112 1.00 0.00 C ATOM 378 CD GLU A 24 0.759 -8.030 -9.392 1.00 0.00 C ATOM 379 OE1 GLU A 24 -0.195 -8.720 -9.807 1.00 0.00 O ATOM 380 OE2 GLU A 24 1.463 -8.352 -8.412 1.00 0.00 O ATOM 0 H GLU A 24 -1.860 -4.642 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 24 0.916 -4.542 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.032 -6.389 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.150 -5.357 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.435 -6.959 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.893 -6.226 -9.593 1.00 0.00 H new ATOM 387 N ASN A 25 -1.847 -3.366 -10.222 1.00 0.00 N ATOM 388 CA ASN A 25 -2.427 -2.172 -10.833 1.00 0.00 C ATOM 389 C ASN A 25 -2.708 -1.098 -9.781 1.00 0.00 C ATOM 390 O ASN A 25 -2.593 0.096 -10.059 1.00 0.00 O ATOM 391 CB ASN A 25 -3.717 -2.520 -11.581 1.00 0.00 C ATOM 392 CG ASN A 25 -3.794 -1.853 -12.943 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.560 -0.651 -13.069 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.124 -2.629 -13.974 1.00 0.00 N ATOM 0 H ASN A 25 -2.479 -4.165 -10.174 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.702 -1.778 -11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.782 -3.601 -11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.575 -2.216 -10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.191 -2.231 -14.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.310 -3.621 -13.827 1.00 0.00 H new ATOM 401 N VAL A 26 -3.076 -1.523 -8.571 1.00 0.00 N ATOM 402 CA VAL A 26 -3.368 -0.583 -7.490 1.00 0.00 C ATOM 403 C VAL A 26 -2.128 0.225 -7.100 1.00 0.00 C ATOM 404 O VAL A 26 -2.246 1.330 -6.572 1.00 0.00 O ATOM 405 CB VAL A 26 -3.910 -1.305 -6.239 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.323 -0.298 -5.175 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.077 -2.210 -6.605 1.00 0.00 C ATOM 0 H VAL A 26 -3.178 -2.506 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.133 0.094 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.113 -1.926 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.702 -0.827 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.460 0.303 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.103 0.352 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.445 -2.710 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.877 -1.613 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.746 -2.957 -7.327 1.00 0.00 H new ATOM 417 N LYS A 27 -0.939 -0.325 -7.360 1.00 0.00 N ATOM 418 CA LYS A 27 0.306 0.366 -7.027 1.00 0.00 C ATOM 419 C LYS A 27 0.352 1.751 -7.669 1.00 0.00 C ATOM 420 O LYS A 27 0.776 2.721 -7.041 1.00 0.00 O ATOM 421 CB LYS A 27 1.517 -0.457 -7.479 1.00 0.00 C ATOM 422 CG LYS A 27 2.820 -0.036 -6.820 1.00 0.00 C ATOM 423 CD LYS A 27 4.000 -0.824 -7.365 1.00 0.00 C ATOM 424 CE LYS A 27 4.345 -2.003 -6.469 1.00 0.00 C ATOM 425 NZ LYS A 27 3.787 -3.281 -6.993 1.00 0.00 N ATOM 0 H LYS A 27 -0.814 -1.239 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 27 0.342 0.484 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.333 -1.509 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.622 -0.370 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.985 1.029 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.749 -0.184 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.767 -1.183 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.866 -0.168 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.428 -2.088 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.958 -1.822 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.044 -4.060 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.751 -3.209 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.175 -3.467 -7.940 1.00 0.00 H new ATOM 439 N ALA A 28 -0.087 1.841 -8.924 1.00 0.00 N ATOM 440 CA ALA A 28 -0.094 3.116 -9.638 1.00 0.00 C ATOM 441 C ALA A 28 -0.979 4.141 -8.930 1.00 0.00 C ATOM 442 O ALA A 28 -0.630 5.318 -8.844 1.00 0.00 O ATOM 443 CB ALA A 28 -0.556 2.925 -11.077 1.00 0.00 C ATOM 0 H ALA A 28 -0.440 1.051 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 28 0.927 3.497 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.554 3.886 -11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.120 2.239 -11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.565 2.513 -11.084 1.00 0.00 H new ATOM 449 N LYS A 29 -2.126 3.689 -8.422 1.00 0.00 N ATOM 450 CA LYS A 29 -3.052 4.580 -7.723 1.00 0.00 C ATOM 451 C LYS A 29 -2.417 5.138 -6.451 1.00 0.00 C ATOM 452 O LYS A 29 -2.552 6.325 -6.152 1.00 0.00 O ATOM 453 CB LYS A 29 -4.350 3.845 -7.375 1.00 0.00 C ATOM 454 CG LYS A 29 -5.099 3.321 -8.590 1.00 0.00 C ATOM 455 CD LYS A 29 -6.211 2.365 -8.189 1.00 0.00 C ATOM 456 CE LYS A 29 -6.940 1.817 -9.405 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.263 1.237 -9.044 1.00 0.00 N ATOM 0 H LYS A 29 -2.434 2.719 -8.481 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.283 5.410 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.118 3.010 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.002 4.520 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.520 4.157 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.403 2.812 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.793 1.540 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.919 2.881 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.080 2.615 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.327 1.053 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.728 0.874 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.128 0.459 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.858 1.972 -8.612 1.00 0.00 H new ATOM 471 N ILE A 30 -1.724 4.280 -5.704 1.00 0.00 N ATOM 472 CA ILE A 30 -1.072 4.703 -4.467 1.00 0.00 C ATOM 473 C ILE A 30 0.134 5.603 -4.749 1.00 0.00 C ATOM 474 O ILE A 30 0.518 6.412 -3.904 1.00 0.00 O ATOM 475 CB ILE A 30 -0.617 3.497 -3.620 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.769 2.507 -3.436 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.097 3.965 -2.268 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.366 1.063 -3.641 1.00 0.00 C ATOM 0 H ILE A 30 -1.600 3.294 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.815 5.268 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 30 0.192 2.990 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.179 2.622 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.566 2.756 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.220 3.103 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.750 4.635 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.889 4.493 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.233 0.419 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.984 0.932 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.591 0.796 -2.923 1.00 0.00 H new ATOM 490 N GLN A 31 0.730 5.465 -5.937 1.00 0.00 N ATOM 491 CA GLN A 31 1.888 6.279 -6.307 1.00 0.00 C ATOM 492 C GLN A 31 1.583 7.773 -6.168 1.00 0.00 C ATOM 493 O GLN A 31 2.482 8.573 -5.909 1.00 0.00 O ATOM 494 CB GLN A 31 2.326 5.972 -7.744 1.00 0.00 C ATOM 495 CG GLN A 31 3.679 6.560 -8.106 1.00 0.00 C ATOM 496 CD GLN A 31 3.895 6.647 -9.606 1.00 0.00 C ATOM 497 OE1 GLN A 31 3.560 5.722 -10.345 1.00 0.00 O ATOM 498 NE2 GLN A 31 4.459 7.761 -10.068 1.00 0.00 N ATOM 0 H GLN A 31 0.432 4.802 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 31 2.699 6.027 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.360 4.891 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.575 6.357 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.766 7.556 -7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.466 5.949 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.722 8.505 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.628 7.870 -11.068 1.00 0.00 H new ATOM 507 N ASP A 32 0.313 8.148 -6.340 1.00 0.00 N ATOM 508 CA ASP A 32 -0.096 9.548 -6.228 1.00 0.00 C ATOM 509 C ASP A 32 0.333 10.161 -4.890 1.00 0.00 C ATOM 510 O ASP A 32 0.486 11.379 -4.787 1.00 0.00 O ATOM 511 CB ASP A 32 -1.613 9.679 -6.390 1.00 0.00 C ATOM 512 CG ASP A 32 -2.013 10.974 -7.070 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.091 10.989 -8.318 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.247 11.972 -6.358 1.00 0.00 O ATOM 0 H ASP A 32 -0.447 7.503 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 32 0.404 10.094 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.988 8.836 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.086 9.626 -5.409 1.00 0.00 H new ATOM 519 N LYS A 33 0.525 9.326 -3.865 1.00 0.00 N ATOM 520 CA LYS A 33 0.929 9.824 -2.552 1.00 0.00 C ATOM 521 C LYS A 33 2.400 10.237 -2.555 1.00 0.00 C ATOM 522 O LYS A 33 2.717 11.412 -2.371 1.00 0.00 O ATOM 523 CB LYS A 33 0.684 8.763 -1.470 1.00 0.00 C ATOM 524 CG LYS A 33 -0.215 9.242 -0.343 1.00 0.00 C ATOM 525 CD LYS A 33 0.386 10.438 0.379 1.00 0.00 C ATOM 526 CE LYS A 33 -0.681 11.456 0.753 1.00 0.00 C ATOM 527 NZ LYS A 33 -1.882 10.808 1.349 1.00 0.00 N ATOM 0 H LYS A 33 0.408 8.314 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 33 0.322 10.701 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.237 7.882 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.642 8.453 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.192 9.511 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.375 8.430 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.900 10.101 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.134 10.910 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.266 12.173 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.974 12.017 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.664 10.830 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.660 9.821 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.161 11.320 2.210 1.00 0.00 H new ATOM 541 N GLU A 34 3.297 9.274 -2.762 1.00 0.00 N ATOM 542 CA GLU A 34 4.729 9.567 -2.787 1.00 0.00 C ATOM 543 C GLU A 34 5.553 8.317 -3.103 1.00 0.00 C ATOM 544 O GLU A 34 6.510 7.995 -2.398 1.00 0.00 O ATOM 545 CB GLU A 34 5.168 10.167 -1.446 1.00 0.00 C ATOM 546 CG GLU A 34 5.413 11.667 -1.506 1.00 0.00 C ATOM 547 CD GLU A 34 6.875 12.011 -1.711 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.499 11.431 -2.625 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.397 12.858 -0.958 1.00 0.00 O ATOM 0 H GLU A 34 3.061 8.293 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 34 4.908 10.292 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.404 9.961 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.080 9.670 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.825 12.095 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.062 12.126 -0.582 1.00 0.00 H new ATOM 556 N GLY A 35 5.180 7.617 -4.173 1.00 0.00 N ATOM 557 CA GLY A 35 5.904 6.420 -4.561 1.00 0.00 C ATOM 558 C GLY A 35 5.622 5.240 -3.648 1.00 0.00 C ATOM 559 O GLY A 35 6.295 5.061 -2.634 1.00 0.00 O ATOM 0 H GLY A 35 4.392 7.857 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.636 6.154 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.974 6.630 -4.556 1.00 0.00 H new ATOM 563 N ILE A 36 4.624 4.436 -4.007 1.00 0.00 N ATOM 564 CA ILE A 36 4.257 3.267 -3.212 1.00 0.00 C ATOM 565 C ILE A 36 5.162 2.049 -3.477 1.00 0.00 C ATOM 566 O ILE A 36 5.317 1.199 -2.600 1.00 0.00 O ATOM 567 CB ILE A 36 2.786 2.862 -3.454 1.00 0.00 C ATOM 568 CG1 ILE A 36 2.370 1.750 -2.488 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.581 2.421 -4.896 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.588 2.101 -1.032 1.00 0.00 C ATOM 0 H ILE A 36 4.055 4.573 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 36 4.392 3.568 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 36 2.156 3.732 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.316 1.520 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.932 0.846 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.539 2.140 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.836 3.241 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.222 1.565 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.271 1.267 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.645 2.302 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.004 2.986 -0.780 1.00 0.00 H new ATOM 582 N PRO A 37 5.769 1.927 -4.681 1.00 0.00 N ATOM 583 CA PRO A 37 6.637 0.788 -5.013 1.00 0.00 C ATOM 584 C PRO A 37 7.601 0.391 -3.890 1.00 0.00 C ATOM 585 O PRO A 37 7.706 -0.790 -3.560 1.00 0.00 O ATOM 586 CB PRO A 37 7.409 1.293 -6.227 1.00 0.00 C ATOM 587 CG PRO A 37 6.450 2.197 -6.913 1.00 0.00 C ATOM 588 CD PRO A 37 5.660 2.866 -5.820 1.00 0.00 C ATOM 0 HA PRO A 37 6.055 -0.117 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.315 1.822 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.716 0.472 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.974 2.933 -7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.796 1.638 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.070 3.845 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.622 3.020 -6.114 1.00 0.00 H new ATOM 596 N PRO A 38 8.331 1.358 -3.294 1.00 0.00 N ATOM 597 CA PRO A 38 9.293 1.091 -2.223 1.00 0.00 C ATOM 598 C PRO A 38 8.851 -0.032 -1.281 1.00 0.00 C ATOM 599 O PRO A 38 7.692 -0.098 -0.874 1.00 0.00 O ATOM 600 CB PRO A 38 9.375 2.429 -1.469 1.00 0.00 C ATOM 601 CG PRO A 38 8.576 3.417 -2.269 1.00 0.00 C ATOM 602 CD PRO A 38 8.306 2.787 -3.609 1.00 0.00 C ATOM 0 HA PRO A 38 10.248 0.750 -2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.974 2.331 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.410 2.756 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.642 3.658 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.125 4.351 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.344 3.096 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.065 3.054 -4.344 1.00 0.00 H new ATOM 610 N ASP A 39 9.793 -0.918 -0.944 1.00 0.00 N ATOM 611 CA ASP A 39 9.517 -2.050 -0.054 1.00 0.00 C ATOM 612 C ASP A 39 9.254 -1.623 1.400 1.00 0.00 C ATOM 613 O ASP A 39 9.008 -2.476 2.253 1.00 0.00 O ATOM 614 CB ASP A 39 10.678 -3.048 -0.091 1.00 0.00 C ATOM 615 CG ASP A 39 10.218 -4.477 0.124 1.00 0.00 C ATOM 616 OD1 ASP A 39 9.271 -4.684 0.912 1.00 0.00 O ATOM 617 OD2 ASP A 39 10.804 -5.389 -0.496 1.00 0.00 O ATOM 0 H ASP A 39 10.757 -0.873 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 39 8.605 -2.518 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.187 -2.974 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.405 -2.784 0.677 1.00 0.00 H new ATOM 622 N GLN A 40 9.310 -0.322 1.696 1.00 0.00 N ATOM 623 CA GLN A 40 9.080 0.148 3.061 1.00 0.00 C ATOM 624 C GLN A 40 7.600 0.450 3.312 1.00 0.00 C ATOM 625 O GLN A 40 7.184 0.599 4.461 1.00 0.00 O ATOM 626 CB GLN A 40 9.918 1.398 3.343 1.00 0.00 C ATOM 627 CG GLN A 40 11.397 1.218 3.039 1.00 0.00 C ATOM 628 CD GLN A 40 12.091 0.304 4.035 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.926 -0.914 3.991 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.872 0.888 4.941 1.00 0.00 N ATOM 0 H GLN A 40 9.510 0.414 1.019 1.00 0.00 H new ATOM 0 HA GLN A 40 9.382 -0.651 3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.531 2.226 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.802 1.675 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.511 0.808 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.886 2.192 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.981 1.902 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.361 0.321 5.634 1.00 0.00 H new ATOM 639 N GLN A 41 6.802 0.533 2.245 1.00 0.00 N ATOM 640 CA GLN A 41 5.376 0.807 2.388 1.00 0.00 C ATOM 641 C GLN A 41 4.581 -0.496 2.452 1.00 0.00 C ATOM 642 O GLN A 41 4.127 -1.006 1.428 1.00 0.00 O ATOM 643 CB GLN A 41 4.876 1.666 1.224 1.00 0.00 C ATOM 644 CG GLN A 41 3.874 2.730 1.639 1.00 0.00 C ATOM 645 CD GLN A 41 2.504 2.154 1.956 1.00 0.00 C ATOM 646 OE1 GLN A 41 2.315 0.937 1.943 1.00 0.00 O ATOM 647 NE2 GLN A 41 1.539 3.024 2.243 1.00 0.00 N ATOM 0 H GLN A 41 7.118 0.415 1.282 1.00 0.00 H new ATOM 0 HA GLN A 41 5.227 1.354 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.729 2.149 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.417 1.019 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.253 3.258 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.779 3.465 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.738 4.024 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.601 2.690 2.463 1.00 0.00 H new ATOM 656 N ARG A 42 4.415 -1.034 3.660 1.00 0.00 N ATOM 657 CA ARG A 42 3.677 -2.278 3.845 1.00 0.00 C ATOM 658 C ARG A 42 2.742 -2.187 5.049 1.00 0.00 C ATOM 659 O ARG A 42 2.968 -1.389 5.959 1.00 0.00 O ATOM 660 CB ARG A 42 4.646 -3.447 4.024 1.00 0.00 C ATOM 661 CG ARG A 42 3.958 -4.797 4.143 1.00 0.00 C ATOM 662 CD ARG A 42 4.964 -5.925 4.314 1.00 0.00 C ATOM 663 NE ARG A 42 5.348 -6.109 5.712 1.00 0.00 N ATOM 664 CZ ARG A 42 6.345 -5.452 6.305 1.00 0.00 C ATOM 665 NH1 ARG A 42 7.063 -4.566 5.627 1.00 0.00 N ATOM 666 NH2 ARG A 42 6.624 -5.682 7.581 1.00 0.00 N ATOM 0 H ARG A 42 4.781 -0.628 4.521 1.00 0.00 H new ATOM 0 HA ARG A 42 3.073 -2.448 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.332 -3.472 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.248 -3.276 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.276 -4.785 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.355 -4.978 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.538 -6.852 3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.852 -5.712 3.719 1.00 0.00 H new ATOM 0 HE ARG A 42 4.821 -6.782 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.854 -4.384 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.824 -4.067 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.076 -6.361 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.387 -5.179 8.035 1.00 0.00 H new ATOM 680 N LEU A 43 1.694 -3.010 5.052 1.00 0.00 N ATOM 681 CA LEU A 43 0.734 -3.017 6.149 1.00 0.00 C ATOM 682 C LEU A 43 1.020 -4.167 7.113 1.00 0.00 C ATOM 683 O LEU A 43 1.581 -5.190 6.721 1.00 0.00 O ATOM 684 CB LEU A 43 -0.693 -3.130 5.608 1.00 0.00 C ATOM 685 CG LEU A 43 -1.037 -4.475 4.963 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.694 -5.399 5.975 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.943 -4.271 3.758 1.00 0.00 C ATOM 0 H LEU A 43 1.491 -3.678 4.308 1.00 0.00 H new ATOM 0 HA LEU A 43 0.833 -2.077 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.391 -2.947 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.850 -2.341 4.873 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.112 -4.941 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.931 -6.350 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.012 -5.570 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.611 -4.940 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.178 -5.237 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.865 -3.784 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.436 -3.645 3.023 1.00 0.00 H new ATOM 699 N ILE A 44 0.632 -3.994 8.376 1.00 0.00 N ATOM 700 CA ILE A 44 0.851 -5.022 9.386 1.00 0.00 C ATOM 701 C ILE A 44 -0.470 -5.654 9.825 1.00 0.00 C ATOM 702 O ILE A 44 -0.975 -5.368 10.911 1.00 0.00 O ATOM 703 CB ILE A 44 1.579 -4.446 10.620 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.840 -5.548 11.652 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.771 -3.312 11.236 1.00 0.00 C ATOM 706 CD1 ILE A 44 2.809 -5.139 12.739 1.00 0.00 C ATOM 0 H ILE A 44 0.167 -3.154 8.721 1.00 0.00 H new ATOM 0 HA ILE A 44 1.478 -5.790 8.932 1.00 0.00 H new ATOM 0 HB ILE A 44 2.540 -4.045 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.894 -5.838 12.110 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.230 -6.428 11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.300 -2.919 12.104 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.639 -2.518 10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.205 -3.686 11.544 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.947 -5.967 13.434 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.768 -4.877 12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.412 -4.277 13.275 1.00 0.00 H new ATOM 718 N PHE A 45 -1.028 -6.515 8.975 1.00 0.00 N ATOM 719 CA PHE A 45 -2.289 -7.181 9.286 1.00 0.00 C ATOM 720 C PHE A 45 -2.375 -8.549 8.610 1.00 0.00 C ATOM 721 O PHE A 45 -2.351 -8.647 7.382 1.00 0.00 O ATOM 722 CB PHE A 45 -3.470 -6.308 8.851 1.00 0.00 C ATOM 723 CG PHE A 45 -4.571 -6.240 9.870 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.512 -5.332 10.915 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.666 -7.085 9.783 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.523 -5.268 11.854 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.681 -7.025 10.719 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.610 -6.115 11.756 1.00 0.00 C ATOM 0 H PHE A 45 -0.628 -6.766 8.071 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.331 -7.332 10.365 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.111 -5.299 8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.874 -6.697 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.665 -4.666 10.996 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.727 -7.799 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.464 -4.556 12.664 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.529 -7.689 10.640 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.402 -6.066 12.488 1.00 0.00 H new ATOM 738 N ALA A 46 -2.475 -9.605 9.416 1.00 0.00 N ATOM 739 CA ALA A 46 -2.566 -10.963 8.892 1.00 0.00 C ATOM 740 C ALA A 46 -1.368 -11.304 8.004 1.00 0.00 C ATOM 741 O ALA A 46 -1.503 -12.047 7.033 1.00 0.00 O ATOM 742 CB ALA A 46 -3.863 -11.142 8.118 1.00 0.00 C ATOM 0 H ALA A 46 -2.495 -9.544 10.434 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.558 -11.648 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.919 -12.160 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.710 -10.958 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.891 -10.437 7.287 1.00 0.00 H new ATOM 748 N GLY A 47 -0.194 -10.763 8.341 1.00 0.00 N ATOM 749 CA GLY A 47 1.002 -11.033 7.560 1.00 0.00 C ATOM 750 C GLY A 47 0.774 -10.908 6.062 1.00 0.00 C ATOM 751 O GLY A 47 1.190 -11.774 5.293 1.00 0.00 O ATOM 0 H GLY A 47 -0.053 -10.144 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.789 -10.342 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.357 -12.039 7.785 1.00 0.00 H new ATOM 755 N LYS A 48 0.113 -9.829 5.644 1.00 0.00 N ATOM 756 CA LYS A 48 -0.162 -9.607 4.229 1.00 0.00 C ATOM 757 C LYS A 48 0.834 -8.616 3.629 1.00 0.00 C ATOM 758 O LYS A 48 0.734 -7.410 3.857 1.00 0.00 O ATOM 759 CB LYS A 48 -1.592 -9.094 4.039 1.00 0.00 C ATOM 760 CG LYS A 48 -2.341 -9.786 2.912 1.00 0.00 C ATOM 761 CD LYS A 48 -2.280 -8.981 1.625 1.00 0.00 C ATOM 762 CE LYS A 48 -1.128 -9.430 0.740 1.00 0.00 C ATOM 763 NZ LYS A 48 -1.570 -10.408 -0.293 1.00 0.00 N ATOM 0 H LYS A 48 -0.240 -9.099 6.263 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.055 -10.559 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.145 -9.230 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.562 -8.023 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.915 -10.775 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.382 -9.932 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.220 -9.088 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.167 -7.923 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.685 -8.562 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.350 -9.880 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.750 -10.715 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.000 -11.233 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.269 -9.960 -0.919 1.00 0.00 H new ATOM 777 N GLN A 49 1.793 -9.129 2.861 1.00 0.00 N ATOM 778 CA GLN A 49 2.801 -8.279 2.233 1.00 0.00 C ATOM 779 C GLN A 49 2.333 -7.795 0.861 1.00 0.00 C ATOM 780 O GLN A 49 1.530 -8.455 0.202 1.00 0.00 O ATOM 781 CB GLN A 49 4.131 -9.028 2.099 1.00 0.00 C ATOM 782 CG GLN A 49 4.038 -10.292 1.261 1.00 0.00 C ATOM 783 CD GLN A 49 5.364 -10.664 0.620 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.396 -10.060 0.913 1.00 0.00 O ATOM 785 NE2 GLN A 49 5.345 -11.662 -0.261 1.00 0.00 N ATOM 0 H GLN A 49 1.893 -10.124 2.660 1.00 0.00 H new ATOM 0 HA GLN A 49 2.949 -7.409 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.870 -8.361 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.493 -9.288 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.698 -11.116 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.288 -10.153 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.468 -12.136 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.208 -11.952 -0.722 1.00 0.00 H new ATOM 794 N LEU A 50 2.838 -6.635 0.439 1.00 0.00 N ATOM 795 CA LEU A 50 2.466 -6.063 -0.855 1.00 0.00 C ATOM 796 C LEU A 50 3.223 -6.717 -2.019 1.00 0.00 C ATOM 797 O LEU A 50 2.965 -6.398 -3.180 1.00 0.00 O ATOM 798 CB LEU A 50 2.720 -4.553 -0.861 1.00 0.00 C ATOM 799 CG LEU A 50 1.689 -3.726 -1.633 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.543 -3.316 -0.722 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.345 -2.501 -2.252 1.00 0.00 C ATOM 0 H LEU A 50 3.503 -6.075 0.972 1.00 0.00 H new ATOM 0 HA LEU A 50 1.403 -6.260 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.748 -4.200 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.706 -4.367 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 50 1.284 -4.342 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.180 -2.729 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.056 -4.207 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.930 -2.717 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.598 -1.924 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.777 -1.883 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.131 -2.817 -2.938 1.00 0.00 H new ATOM 813 N GLU A 51 4.157 -7.624 -1.719 1.00 0.00 N ATOM 814 CA GLU A 51 4.926 -8.289 -2.769 1.00 0.00 C ATOM 815 C GLU A 51 4.115 -9.406 -3.424 1.00 0.00 C ATOM 816 O GLU A 51 4.010 -9.467 -4.649 1.00 0.00 O ATOM 817 CB GLU A 51 6.232 -8.857 -2.203 1.00 0.00 C ATOM 818 CG GLU A 51 7.417 -7.917 -2.348 1.00 0.00 C ATOM 819 CD GLU A 51 8.015 -7.945 -3.740 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.556 -7.164 -4.599 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.943 -8.748 -3.972 1.00 0.00 O ATOM 0 H GLU A 51 4.395 -7.911 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 51 5.162 -7.544 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.090 -9.089 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.459 -9.796 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.101 -6.901 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.183 -8.189 -1.622 1.00 0.00 H new ATOM 828 N ASP A 52 3.535 -10.285 -2.605 1.00 0.00 N ATOM 829 CA ASP A 52 2.730 -11.387 -3.109 1.00 0.00 C ATOM 830 C ASP A 52 1.736 -10.885 -4.141 1.00 0.00 C ATOM 831 O ASP A 52 0.818 -10.134 -3.811 1.00 0.00 O ATOM 832 CB ASP A 52 1.989 -12.091 -1.966 1.00 0.00 C ATOM 833 CG ASP A 52 2.554 -13.467 -1.671 1.00 0.00 C ATOM 834 OD1 ASP A 52 2.747 -14.247 -2.627 1.00 0.00 O ATOM 835 OD2 ASP A 52 2.805 -13.764 -0.485 1.00 0.00 O ATOM 0 H ASP A 52 3.611 -10.251 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 52 3.399 -12.107 -3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.047 -11.477 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.934 -12.182 -2.223 1.00 0.00 H new ATOM 840 N GLY A 53 1.916 -11.296 -5.386 1.00 0.00 N ATOM 841 CA GLY A 53 1.015 -10.871 -6.439 1.00 0.00 C ATOM 842 C GLY A 53 -0.366 -11.496 -6.315 1.00 0.00 C ATOM 843 O GLY A 53 -0.915 -11.986 -7.303 1.00 0.00 O ATOM 0 H GLY A 53 2.668 -11.915 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.922 -9.785 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.443 -11.134 -7.406 1.00 0.00 H new ATOM 847 N ARG A 54 -0.934 -11.482 -5.107 1.00 0.00 N ATOM 848 CA ARG A 54 -2.257 -12.054 -4.884 1.00 0.00 C ATOM 849 C ARG A 54 -3.297 -10.955 -4.674 1.00 0.00 C ATOM 850 O ARG A 54 -2.981 -9.768 -4.762 1.00 0.00 O ATOM 851 CB ARG A 54 -2.232 -12.994 -3.675 1.00 0.00 C ATOM 852 CG ARG A 54 -2.821 -14.366 -3.961 1.00 0.00 C ATOM 853 CD ARG A 54 -2.451 -15.369 -2.878 1.00 0.00 C ATOM 854 NE ARG A 54 -3.483 -16.390 -2.692 1.00 0.00 N ATOM 855 CZ ARG A 54 -3.611 -17.122 -1.586 1.00 0.00 C ATOM 856 NH1 ARG A 54 -2.774 -16.952 -0.569 1.00 0.00 N ATOM 857 NH2 ARG A 54 -4.577 -18.026 -1.496 1.00 0.00 N ATOM 0 H ARG A 54 -0.499 -11.083 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.535 -12.624 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.202 -13.113 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.784 -12.534 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.906 -14.290 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.463 -14.723 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.509 -15.851 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.290 -14.842 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.143 -16.551 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.029 -16.258 -0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.876 -17.515 0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.223 -18.161 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.674 -18.586 -0.649 1.00 0.00 H new ATOM 871 N THR A 55 -4.536 -11.354 -4.392 1.00 0.00 N ATOM 872 CA THR A 55 -5.612 -10.395 -4.169 1.00 0.00 C ATOM 873 C THR A 55 -5.850 -10.188 -2.675 1.00 0.00 C ATOM 874 O THR A 55 -5.777 -11.135 -1.891 1.00 0.00 O ATOM 875 CB THR A 55 -6.900 -10.872 -4.843 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.659 -11.221 -6.194 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.003 -9.837 -4.826 1.00 0.00 C ATOM 0 H THR A 55 -4.817 -12.331 -4.313 1.00 0.00 H new ATOM 0 HA THR A 55 -5.315 -9.443 -4.609 1.00 0.00 H new ATOM 0 HB THR A 55 -7.226 -11.736 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.494 -11.525 -6.607 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.887 -10.240 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.247 -9.583 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.670 -8.942 -5.351 1.00 0.00 H new ATOM 885 N LEU A 56 -6.135 -8.948 -2.283 1.00 0.00 N ATOM 886 CA LEU A 56 -6.382 -8.630 -0.876 1.00 0.00 C ATOM 887 C LEU A 56 -7.461 -9.542 -0.292 1.00 0.00 C ATOM 888 O LEU A 56 -7.330 -10.027 0.832 1.00 0.00 O ATOM 889 CB LEU A 56 -6.800 -7.164 -0.719 1.00 0.00 C ATOM 890 CG LEU A 56 -5.739 -6.142 -1.130 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.373 -4.779 -1.364 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.652 -6.050 -0.071 1.00 0.00 C ATOM 0 H LEU A 56 -6.201 -8.150 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.453 -8.794 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.698 -6.992 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.068 -6.988 0.323 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.284 -6.474 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.603 -4.065 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.117 -4.855 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.854 -4.439 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.905 -5.318 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.093 -5.741 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.178 -7.024 0.049 1.00 0.00 H new ATOM 904 N SER A 57 -8.526 -9.772 -1.059 1.00 0.00 N ATOM 905 CA SER A 57 -9.623 -10.627 -0.608 1.00 0.00 C ATOM 906 C SER A 57 -9.118 -12.010 -0.185 1.00 0.00 C ATOM 907 O SER A 57 -9.691 -12.638 0.704 1.00 0.00 O ATOM 908 CB SER A 57 -10.677 -10.777 -1.709 1.00 0.00 C ATOM 909 OG SER A 57 -11.732 -11.627 -1.294 1.00 0.00 O ATOM 0 H SER A 57 -8.652 -9.380 -1.992 1.00 0.00 H new ATOM 0 HA SER A 57 -10.075 -10.147 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.077 -9.797 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.213 -11.181 -2.608 1.00 0.00 H new ATOM 0 HG SER A 57 -12.392 -11.705 -2.014 1.00 0.00 H new ATOM 915 N ASP A 58 -8.047 -12.484 -0.826 1.00 0.00 N ATOM 916 CA ASP A 58 -7.485 -13.796 -0.504 1.00 0.00 C ATOM 917 C ASP A 58 -7.180 -13.924 0.991 1.00 0.00 C ATOM 918 O ASP A 58 -7.301 -15.007 1.562 1.00 0.00 O ATOM 919 CB ASP A 58 -6.212 -14.053 -1.315 1.00 0.00 C ATOM 920 CG ASP A 58 -6.488 -14.180 -2.801 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.278 -15.069 -3.183 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.916 -13.391 -3.581 1.00 0.00 O ATOM 0 H ASP A 58 -7.555 -11.983 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.234 -14.543 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.507 -13.238 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.735 -14.966 -0.958 1.00 0.00 H new ATOM 927 N TYR A 59 -6.782 -12.819 1.624 1.00 0.00 N ATOM 928 CA TYR A 59 -6.463 -12.833 3.048 1.00 0.00 C ATOM 929 C TYR A 59 -7.601 -12.235 3.878 1.00 0.00 C ATOM 930 O TYR A 59 -7.359 -11.498 4.835 1.00 0.00 O ATOM 931 CB TYR A 59 -5.166 -12.066 3.309 1.00 0.00 C ATOM 932 CG TYR A 59 -3.918 -12.877 3.042 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.416 -13.750 3.999 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.243 -12.771 1.833 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.276 -14.493 3.758 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.103 -13.511 1.584 1.00 0.00 C ATOM 937 CZ TYR A 59 -1.624 -14.371 2.549 1.00 0.00 C ATOM 938 OH TYR A 59 -0.489 -15.109 2.306 1.00 0.00 O ATOM 0 H TYR A 59 -6.674 -11.910 1.174 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.332 -13.872 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.150 -11.173 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.155 -11.729 4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.925 -13.850 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.616 -12.099 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.897 -15.166 4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.590 -13.416 0.638 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.153 -14.907 1.408 1.00 0.00 H new ATOM 948 N ASN A 60 -8.842 -12.558 3.514 1.00 0.00 N ATOM 949 CA ASN A 60 -10.009 -12.053 4.232 1.00 0.00 C ATOM 950 C ASN A 60 -10.003 -10.526 4.319 1.00 0.00 C ATOM 951 O ASN A 60 -10.546 -9.953 5.263 1.00 0.00 O ATOM 952 CB ASN A 60 -10.059 -12.651 5.639 1.00 0.00 C ATOM 953 CG ASN A 60 -11.476 -12.982 6.077 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.273 -12.087 6.358 1.00 0.00 O ATOM 955 ND2 ASN A 60 -11.800 -14.273 6.139 1.00 0.00 N ATOM 0 H ASN A 60 -9.064 -13.167 2.726 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.896 -12.354 3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.452 -13.556 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.618 -11.948 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.738 -14.550 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.110 -14.984 5.898 1.00 0.00 H new ATOM 962 N ILE A 61 -9.395 -9.863 3.333 1.00 0.00 N ATOM 963 CA ILE A 61 -9.342 -8.406 3.320 1.00 0.00 C ATOM 964 C ILE A 61 -10.552 -7.820 2.599 1.00 0.00 C ATOM 965 O ILE A 61 -10.500 -7.556 1.397 1.00 0.00 O ATOM 966 CB ILE A 61 -8.055 -7.890 2.645 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.834 -8.632 3.193 1.00 0.00 C ATOM 968 CG2 ILE A 61 -7.910 -6.391 2.857 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.529 -8.198 2.561 1.00 0.00 C ATOM 0 H ILE A 61 -8.936 -10.311 2.540 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.348 -8.082 4.361 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.122 -8.080 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.777 -8.475 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.967 -9.702 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.997 -6.042 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.768 -5.878 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.861 -6.178 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.707 -8.765 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.566 -8.381 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.373 -7.135 2.743 1.00 0.00 H new ATOM 981 N GLN A 62 -11.645 -7.621 3.333 1.00 0.00 N ATOM 982 CA GLN A 62 -12.864 -7.070 2.750 1.00 0.00 C ATOM 983 C GLN A 62 -12.969 -5.569 3.013 1.00 0.00 C ATOM 984 O GLN A 62 -12.236 -5.022 3.837 1.00 0.00 O ATOM 985 CB GLN A 62 -14.095 -7.788 3.311 1.00 0.00 C ATOM 986 CG GLN A 62 -14.624 -8.886 2.403 1.00 0.00 C ATOM 987 CD GLN A 62 -16.140 -8.986 2.432 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.750 -8.982 3.500 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.758 -9.079 1.256 1.00 0.00 N ATOM 0 H GLN A 62 -11.710 -7.833 4.329 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.821 -7.227 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.844 -8.219 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.885 -7.057 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.295 -8.698 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.194 -9.841 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.215 -9.079 0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.775 -9.150 1.218 1.00 0.00 H new ATOM 998 N LYS A 63 -13.885 -4.906 2.306 1.00 0.00 N ATOM 999 CA LYS A 63 -14.082 -3.464 2.466 1.00 0.00 C ATOM 1000 C LYS A 63 -14.235 -3.089 3.939 1.00 0.00 C ATOM 1001 O LYS A 63 -14.553 -3.936 4.774 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.310 -2.997 1.681 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.563 -3.808 1.972 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.823 -2.998 1.717 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.397 -2.439 3.009 1.00 0.00 C ATOM 1006 NZ LYS A 63 -19.850 -2.131 2.883 1.00 0.00 N ATOM 0 H LYS A 63 -14.500 -5.342 1.619 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.197 -2.964 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.503 -1.950 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.091 -3.052 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.572 -4.702 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.548 -4.143 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.598 -2.179 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.568 -3.626 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.247 -3.158 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.856 -1.534 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.204 -1.752 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.992 -1.426 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.370 -3.000 2.645 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.005 -1.815 4.254 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.118 -1.333 5.627 1.00 0.00 C ATOM 1022 C GLU A 64 -13.234 -2.147 6.574 1.00 0.00 C ATOM 1023 O GLU A 64 -13.578 -2.342 7.739 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.574 -1.400 6.092 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.892 -0.450 7.236 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.478 0.863 6.758 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.176 0.860 5.721 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -16.240 1.895 7.420 1.00 0.00 O ATOM 0 H GLU A 64 -13.740 -1.100 3.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.779 -0.297 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.227 -1.172 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.801 -2.420 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.594 -0.930 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.982 -0.253 7.803 1.00 0.00 H new ATOM 1035 N SER A 65 -12.090 -2.617 6.073 1.00 0.00 N ATOM 1036 CA SER A 65 -11.170 -3.403 6.889 1.00 0.00 C ATOM 1037 C SER A 65 -10.403 -2.509 7.860 1.00 0.00 C ATOM 1038 O SER A 65 -10.203 -1.323 7.598 1.00 0.00 O ATOM 1039 CB SER A 65 -10.186 -4.174 6.004 1.00 0.00 C ATOM 1040 OG SER A 65 -10.664 -5.478 5.724 1.00 0.00 O ATOM 0 H SER A 65 -11.782 -2.467 5.112 1.00 0.00 H new ATOM 0 HA SER A 65 -11.761 -4.116 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.030 -3.632 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.218 -4.237 6.501 1.00 0.00 H new ATOM 0 HG SER A 65 -11.025 -5.506 4.813 1.00 0.00 H new ATOM 1046 N THR A 66 -9.972 -3.082 8.983 1.00 0.00 N ATOM 1047 CA THR A 66 -9.226 -2.329 9.984 1.00 0.00 C ATOM 1048 C THR A 66 -7.748 -2.713 9.956 1.00 0.00 C ATOM 1049 O THR A 66 -7.254 -3.381 10.865 1.00 0.00 O ATOM 1050 CB THR A 66 -9.806 -2.579 11.378 1.00 0.00 C ATOM 1051 OG1 THR A 66 -10.232 -3.923 11.511 1.00 0.00 O ATOM 1052 CG2 THR A 66 -10.986 -1.690 11.702 1.00 0.00 C ATOM 0 H THR A 66 -10.127 -4.062 9.220 1.00 0.00 H new ATOM 0 HA THR A 66 -9.314 -1.268 9.749 1.00 0.00 H new ATOM 0 HB THR A 66 -8.997 -2.351 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.598 -4.063 12.409 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.349 -1.918 12.704 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.678 -0.645 11.657 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.783 -1.865 10.979 1.00 0.00 H new ATOM 1060 N LEU A 67 -7.044 -2.292 8.906 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.625 -2.599 8.766 1.00 0.00 C ATOM 1062 C LEU A 67 -4.764 -1.396 9.146 1.00 0.00 C ATOM 1063 O LEU A 67 -5.150 -0.250 8.916 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.313 -3.033 7.332 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.426 -1.928 6.281 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.086 -1.232 6.093 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.922 -2.497 4.960 1.00 0.00 C ATOM 0 H LEU A 67 -7.434 -1.739 8.143 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.390 -3.418 9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.302 -3.438 7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.989 -3.843 7.059 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.150 -1.192 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.185 -0.449 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.770 -0.790 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.342 -1.958 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.996 -1.696 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.222 -3.253 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.903 -2.949 5.104 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.595 -1.663 9.727 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.686 -0.599 10.134 1.00 0.00 C ATOM 1081 C HIS A 68 -1.476 -0.532 9.203 1.00 0.00 C ATOM 1082 O HIS A 68 -1.064 -1.544 8.636 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.225 -0.817 11.577 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.330 0.408 12.431 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.434 0.694 13.205 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -1.459 1.427 12.630 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.240 1.834 13.843 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -2.049 2.299 13.511 1.00 0.00 N ATOM 0 H HIS A 68 -3.258 -2.605 9.925 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.222 0.348 10.072 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.821 -1.613 12.024 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.190 -1.158 11.571 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.483 1.533 12.180 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.936 2.306 14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.635 3.166 13.854 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.911 0.665 9.046 1.00 0.00 N ATOM 1098 CA LEU A 69 0.248 0.853 8.182 1.00 0.00 C ATOM 1099 C LEU A 69 1.524 1.003 9.008 1.00 0.00 C ATOM 1100 O LEU A 69 1.471 1.337 10.191 1.00 0.00 O ATOM 1101 CB LEU A 69 0.053 2.084 7.294 1.00 0.00 C ATOM 1102 CG LEU A 69 0.671 1.980 5.897 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.410 1.765 4.849 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.484 3.227 5.578 1.00 0.00 C ATOM 0 H LEU A 69 -1.238 1.515 9.505 1.00 0.00 H new ATOM 0 HA LEU A 69 0.347 -0.030 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.016 2.272 7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.480 2.950 7.800 1.00 0.00 H new ATOM 0 HG LEU A 69 1.340 1.120 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.048 1.694 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.949 0.843 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.105 2.604 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.915 3.135 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.836 4.103 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.283 3.337 6.311 1.00 0.00 H new ATOM 1116 N VAL A 70 2.672 0.755 8.378 1.00 0.00 N ATOM 1117 CA VAL A 70 3.955 0.867 9.060 1.00 0.00 C ATOM 1118 C VAL A 70 4.680 2.149 8.655 1.00 0.00 C ATOM 1119 O VAL A 70 4.464 2.671 7.562 1.00 0.00 O ATOM 1120 CB VAL A 70 4.862 -0.341 8.755 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.098 -0.322 9.640 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.094 -1.643 8.929 1.00 0.00 C ATOM 0 H VAL A 70 2.737 0.476 7.399 1.00 0.00 H new ATOM 0 HA VAL A 70 3.745 0.892 10.129 1.00 0.00 H new ATOM 0 HB VAL A 70 5.187 -0.272 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.725 -1.183 9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.660 0.594 9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.797 -0.363 10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.751 -2.485 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.736 -1.720 9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.244 -1.658 8.247 1.00 0.00 H new ATOM 1132 N LEU A 71 5.539 2.653 9.539 1.00 0.00 N ATOM 1133 CA LEU A 71 6.287 3.877 9.255 1.00 0.00 C ATOM 1134 C LEU A 71 7.521 3.579 8.406 1.00 0.00 C ATOM 1135 O LEU A 71 8.034 2.459 8.415 1.00 0.00 O ATOM 1136 CB LEU A 71 6.699 4.596 10.550 1.00 0.00 C ATOM 1137 CG LEU A 71 7.274 3.709 11.664 1.00 0.00 C ATOM 1138 CD1 LEU A 71 8.322 2.755 11.112 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.868 4.569 12.769 1.00 0.00 C ATOM 0 H LEU A 71 5.734 2.238 10.450 1.00 0.00 H new ATOM 0 HA LEU A 71 5.627 4.537 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.440 5.355 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.827 5.119 10.944 1.00 0.00 H new ATOM 0 HG LEU A 71 6.461 3.115 12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.714 2.138 11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.869 2.116 10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.135 3.327 10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.272 3.927 13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.666 5.188 12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.092 5.209 13.189 1.00 0.00 H new