USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 135:sc= 1.34 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.21 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 1.02 K(o=1,f=-0.91) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 1.39 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= -3.11! C(o=-3.1!,f=-8.8!) 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= -0.768 K(o=-0.77,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.223 K(o=-0.22,f=-5.6!) USER MOD Single : A 41 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.538 F(o=-1.6,f=-0.54) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= -0.146 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.017 -8.376 -1.721 1.00 0.00 N ATOM 2 CA MET A 1 11.532 -8.549 -3.100 1.00 0.00 C ATOM 3 C MET A 1 10.068 -8.142 -3.213 1.00 0.00 C ATOM 4 O MET A 1 9.711 -7.357 -4.089 1.00 0.00 O ATOM 5 CB MET A 1 11.714 -9.994 -3.559 1.00 0.00 C ATOM 6 CG MET A 1 11.261 -10.123 -5.013 1.00 0.00 C ATOM 7 SD MET A 1 11.334 -11.811 -5.662 1.00 0.00 S ATOM 8 CE MET A 1 10.596 -11.513 -7.288 1.00 0.00 C ATOM 0 H1 MET A 1 13.056 -8.427 -1.709 1.00 0.00 H new ATOM 0 H2 MET A 1 11.712 -7.450 -1.359 1.00 0.00 H new ATOM 0 H3 MET A 1 11.627 -9.129 -1.119 1.00 0.00 H new ATOM 0 HA MET A 1 12.123 -7.901 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.759 -10.289 -3.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.135 -10.665 -2.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.238 -9.756 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.883 -9.479 -5.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.554 -12.449 -7.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.587 -11.119 -7.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.202 -10.791 -7.836 1.00 0.00 H new ATOM 18 N GLN A 2 9.217 -8.698 -2.347 1.00 0.00 N ATOM 19 CA GLN A 2 7.791 -8.431 -2.385 1.00 0.00 C ATOM 20 C GLN A 2 7.311 -8.026 -0.999 1.00 0.00 C ATOM 21 O GLN A 2 8.081 -8.039 -0.041 1.00 0.00 O ATOM 22 CB GLN A 2 7.053 -9.681 -2.865 1.00 0.00 C ATOM 23 CG GLN A 2 7.305 -9.892 -4.356 1.00 0.00 C ATOM 24 CD GLN A 2 6.524 -11.089 -4.882 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.079 -11.935 -4.110 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.348 -11.153 -6.203 1.00 0.00 N ATOM 0 H GLN A 2 9.502 -9.340 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 2 7.586 -7.614 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.391 -10.552 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.984 -9.577 -2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.017 -8.996 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.370 -10.045 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.736 -10.427 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.825 -11.928 -6.611 1.00 0.00 H new ATOM 35 N ILE A 3 6.030 -7.670 -0.897 1.00 0.00 N ATOM 36 CA ILE A 3 5.425 -7.289 0.364 1.00 0.00 C ATOM 37 C ILE A 3 4.011 -7.852 0.443 1.00 0.00 C ATOM 38 O ILE A 3 3.518 -8.443 -0.516 1.00 0.00 O ATOM 39 CB ILE A 3 5.413 -5.763 0.492 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.644 -5.153 -0.683 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.849 -5.238 0.512 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.529 -3.639 -0.516 1.00 0.00 C ATOM 0 H ILE A 3 5.389 -7.640 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 3 6.007 -7.698 1.189 1.00 0.00 H new ATOM 0 HB ILE A 3 4.920 -5.480 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.153 -5.384 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.650 -5.595 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.838 -4.152 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.382 -5.668 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.352 -5.519 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.980 -3.221 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.999 -3.414 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.526 -3.200 -0.479 1.00 0.00 H new ATOM 54 N PHE A 4 3.352 -7.642 1.584 1.00 0.00 N ATOM 55 CA PHE A 4 1.989 -8.086 1.798 1.00 0.00 C ATOM 56 C PHE A 4 1.164 -6.937 2.359 1.00 0.00 C ATOM 57 O PHE A 4 1.368 -6.515 3.496 1.00 0.00 O ATOM 58 CB PHE A 4 1.968 -9.289 2.740 1.00 0.00 C ATOM 59 CG PHE A 4 2.361 -10.598 2.087 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.381 -11.372 1.453 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.676 -11.074 2.169 1.00 0.00 C ATOM 62 CE1 PHE A 4 1.711 -12.618 0.906 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.010 -12.315 1.611 1.00 0.00 C ATOM 64 CZ PHE A 4 3.027 -13.088 0.981 1.00 0.00 C ATOM 0 H PHE A 4 3.758 -7.156 2.384 1.00 0.00 H new ATOM 0 HA PHE A 4 1.553 -8.397 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.643 -9.095 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.967 -9.391 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.367 -11.006 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.433 -10.484 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.950 -13.216 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.026 -12.676 1.667 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.284 -14.046 0.553 1.00 0.00 H new ATOM 74 N VAL A 5 0.250 -6.412 1.540 1.00 0.00 N ATOM 75 CA VAL A 5 -0.618 -5.323 1.936 1.00 0.00 C ATOM 76 C VAL A 5 -1.950 -5.902 2.389 1.00 0.00 C ATOM 77 O VAL A 5 -2.646 -6.545 1.606 1.00 0.00 O ATOM 78 CB VAL A 5 -0.811 -4.372 0.754 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.697 -3.201 1.173 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.543 -3.835 0.293 1.00 0.00 C ATOM 0 H VAL A 5 0.098 -6.737 0.585 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.176 -4.761 2.759 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.285 -4.916 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.832 -2.526 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.668 -3.577 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.225 -2.663 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.398 -3.158 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.019 -3.297 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.178 -4.666 -0.014 1.00 0.00 H new ATOM 90 N LYS A 6 -2.299 -5.691 3.660 1.00 0.00 N ATOM 91 CA LYS A 6 -3.503 -6.274 4.217 1.00 0.00 C ATOM 92 C LYS A 6 -4.582 -5.210 4.353 1.00 0.00 C ATOM 93 O LYS A 6 -4.385 -4.206 5.035 1.00 0.00 O ATOM 94 CB LYS A 6 -3.178 -6.913 5.566 1.00 0.00 C ATOM 95 CG LYS A 6 -4.337 -7.804 6.004 1.00 0.00 C ATOM 96 CD LYS A 6 -3.908 -8.633 7.212 1.00 0.00 C ATOM 97 CE LYS A 6 -5.016 -9.620 7.563 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.599 -10.524 8.646 1.00 0.00 N ATOM 0 H LYS A 6 -1.762 -5.122 4.314 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.882 -7.049 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.263 -7.501 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.999 -6.139 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.204 -7.194 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.636 -8.460 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.985 -9.168 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.703 -7.981 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.910 -9.075 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.281 -10.203 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.372 -11.184 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.760 -11.060 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.370 -9.967 9.494 1.00 0.00 H new ATOM 112 N THR A 7 -5.709 -5.416 3.667 1.00 0.00 N ATOM 113 CA THR A 7 -6.817 -4.482 3.694 1.00 0.00 C ATOM 114 C THR A 7 -7.390 -4.394 5.103 1.00 0.00 C ATOM 115 O THR A 7 -7.035 -5.187 5.973 1.00 0.00 O ATOM 116 CB THR A 7 -7.897 -4.957 2.721 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.395 -6.196 3.167 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.324 -5.123 1.315 1.00 0.00 C ATOM 0 H THR A 7 -5.870 -6.235 3.081 1.00 0.00 H new ATOM 0 HA THR A 7 -6.467 -3.494 3.397 1.00 0.00 H new ATOM 0 HB THR A 7 -8.694 -4.214 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.374 -6.193 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.110 -5.462 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.933 -4.167 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.520 -5.859 1.334 1.00 0.00 H new ATOM 126 N ALA A 8 -8.332 -3.471 5.308 1.00 0.00 N ATOM 127 CA ALA A 8 -9.028 -3.359 6.574 1.00 0.00 C ATOM 128 C ALA A 8 -10.032 -4.502 6.708 1.00 0.00 C ATOM 129 O ALA A 8 -10.626 -4.683 7.768 1.00 0.00 O ATOM 130 CB ALA A 8 -9.745 -2.013 6.638 1.00 0.00 C ATOM 0 H ALA A 8 -8.625 -2.792 4.606 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.314 -3.421 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.270 -1.925 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.016 -1.208 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.462 -1.944 5.820 1.00 0.00 H new ATOM 136 N THR A 9 -10.229 -5.265 5.627 1.00 0.00 N ATOM 137 CA THR A 9 -11.142 -6.394 5.629 1.00 0.00 C ATOM 138 C THR A 9 -10.373 -7.690 5.869 1.00 0.00 C ATOM 139 O THR A 9 -10.968 -8.764 5.923 1.00 0.00 O ATOM 140 CB THR A 9 -11.914 -6.438 4.309 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.018 -6.476 3.221 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.789 -5.193 4.189 1.00 0.00 C ATOM 0 H THR A 9 -9.759 -5.112 4.735 1.00 0.00 H new ATOM 0 HA THR A 9 -11.862 -6.279 6.439 1.00 0.00 H new ATOM 0 HB THR A 9 -12.535 -7.334 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.523 -6.505 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.339 -5.224 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.493 -5.162 5.020 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.160 -4.303 4.212 1.00 0.00 H new ATOM 150 N GLY A 10 -9.051 -7.585 6.033 1.00 0.00 N ATOM 151 CA GLY A 10 -8.217 -8.726 6.363 1.00 0.00 C ATOM 152 C GLY A 10 -7.731 -9.451 5.112 1.00 0.00 C ATOM 153 O GLY A 10 -7.055 -10.472 5.219 1.00 0.00 O ATOM 0 H GLY A 10 -8.539 -6.708 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.359 -8.393 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.779 -9.418 6.990 1.00 0.00 H new ATOM 157 N LYS A 11 -8.104 -8.958 3.929 1.00 0.00 N ATOM 158 CA LYS A 11 -7.689 -9.580 2.684 1.00 0.00 C ATOM 159 C LYS A 11 -6.198 -9.359 2.462 1.00 0.00 C ATOM 160 O LYS A 11 -5.744 -8.221 2.363 1.00 0.00 O ATOM 161 CB LYS A 11 -8.491 -8.999 1.522 1.00 0.00 C ATOM 162 CG LYS A 11 -9.974 -9.317 1.700 1.00 0.00 C ATOM 163 CD LYS A 11 -10.751 -8.770 0.506 1.00 0.00 C ATOM 164 CE LYS A 11 -12.228 -9.129 0.642 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.993 -8.655 -0.522 1.00 0.00 N ATOM 0 H LYS A 11 -8.691 -8.132 3.814 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.877 -10.652 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.345 -7.920 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.133 -9.412 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.120 -10.394 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.345 -8.874 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.634 -7.688 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.351 -9.183 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.336 -10.209 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.632 -8.686 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.994 -8.911 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.906 -7.621 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.620 -9.097 -1.386 1.00 0.00 H new ATOM 179 N THR A 12 -5.438 -10.454 2.391 1.00 0.00 N ATOM 180 CA THR A 12 -4.012 -10.402 2.131 1.00 0.00 C ATOM 181 C THR A 12 -3.771 -10.140 0.648 1.00 0.00 C ATOM 182 O THR A 12 -4.402 -10.766 -0.201 1.00 0.00 O ATOM 183 CB THR A 12 -3.394 -11.737 2.546 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.808 -12.061 3.855 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.873 -11.657 2.490 1.00 0.00 C ATOM 0 H THR A 12 -5.802 -11.399 2.513 1.00 0.00 H new ATOM 0 HA THR A 12 -3.552 -9.595 2.702 1.00 0.00 H new ATOM 0 HB THR A 12 -3.728 -12.512 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.413 -12.918 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.447 -12.615 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.558 -11.421 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.524 -10.878 3.168 1.00 0.00 H new ATOM 193 N ILE A 13 -2.845 -9.228 0.336 1.00 0.00 N ATOM 194 CA ILE A 13 -2.512 -8.911 -1.042 1.00 0.00 C ATOM 195 C ILE A 13 -0.999 -8.924 -1.240 1.00 0.00 C ATOM 196 O ILE A 13 -0.304 -8.024 -0.771 1.00 0.00 O ATOM 197 CB ILE A 13 -3.103 -7.550 -1.424 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.594 -7.511 -1.078 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.904 -7.320 -2.923 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.181 -6.137 -1.402 1.00 0.00 C ATOM 0 H ILE A 13 -2.315 -8.698 1.028 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.944 -9.669 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.597 -6.762 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.124 -8.281 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.734 -7.733 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.323 -6.353 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.839 -7.335 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.408 -8.108 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.241 -6.126 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.662 -5.374 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.058 -5.930 -2.465 1.00 0.00 H new ATOM 212 N THR A 14 -0.488 -9.939 -1.941 1.00 0.00 N ATOM 213 CA THR A 14 0.921 -10.000 -2.286 1.00 0.00 C ATOM 214 C THR A 14 1.210 -8.942 -3.343 1.00 0.00 C ATOM 215 O THR A 14 0.582 -8.942 -4.400 1.00 0.00 O ATOM 216 CB THR A 14 1.255 -11.392 -2.819 1.00 0.00 C ATOM 217 OG1 THR A 14 0.813 -12.369 -1.902 1.00 0.00 O ATOM 218 CG2 THR A 14 2.763 -11.525 -3.014 1.00 0.00 C ATOM 0 H THR A 14 -1.037 -10.729 -2.279 1.00 0.00 H new ATOM 0 HA THR A 14 1.535 -9.809 -1.406 1.00 0.00 H new ATOM 0 HB THR A 14 0.754 -11.537 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.419 -12.394 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.994 -12.520 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.105 -10.775 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.268 -11.375 -2.060 1.00 0.00 H new ATOM 226 N LEU A 15 2.096 -7.991 -3.033 1.00 0.00 N ATOM 227 CA LEU A 15 2.391 -6.914 -3.958 1.00 0.00 C ATOM 228 C LEU A 15 3.883 -6.847 -4.253 1.00 0.00 C ATOM 229 O LEU A 15 4.703 -7.251 -3.431 1.00 0.00 O ATOM 230 CB LEU A 15 1.891 -5.594 -3.368 1.00 0.00 C ATOM 231 CG LEU A 15 1.631 -4.569 -4.472 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.425 -4.990 -5.313 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.347 -3.215 -3.828 1.00 0.00 C ATOM 0 H LEU A 15 2.613 -7.952 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 15 1.879 -7.101 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.975 -5.767 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.628 -5.201 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 15 2.506 -4.505 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.251 -4.251 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.620 -5.961 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.457 -5.058 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.160 -2.474 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.471 -3.295 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.207 -2.907 -3.233 1.00 0.00 H new ATOM 245 N GLU A 16 4.228 -6.271 -5.406 1.00 0.00 N ATOM 246 CA GLU A 16 5.607 -6.051 -5.792 1.00 0.00 C ATOM 247 C GLU A 16 5.728 -4.658 -6.394 1.00 0.00 C ATOM 248 O GLU A 16 5.071 -4.358 -7.389 1.00 0.00 O ATOM 249 CB GLU A 16 6.038 -7.122 -6.790 1.00 0.00 C ATOM 250 CG GLU A 16 7.538 -6.997 -7.045 1.00 0.00 C ATOM 251 CD GLU A 16 8.020 -8.045 -8.039 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.613 -9.216 -7.877 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.857 -7.671 -8.890 1.00 0.00 O ATOM 0 H GLU A 16 3.550 -5.946 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 16 6.262 -6.119 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.805 -8.113 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.488 -7.008 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.762 -6.001 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.079 -7.108 -6.105 1.00 0.00 H new ATOM 260 N VAL A 17 6.528 -3.792 -5.770 1.00 0.00 N ATOM 261 CA VAL A 17 6.681 -2.429 -6.248 1.00 0.00 C ATOM 262 C VAL A 17 8.156 -2.095 -6.423 1.00 0.00 C ATOM 263 O VAL A 17 9.020 -2.784 -5.883 1.00 0.00 O ATOM 264 CB VAL A 17 6.017 -1.465 -5.264 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.522 -1.766 -5.175 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.646 -1.610 -3.878 1.00 0.00 C ATOM 0 H VAL A 17 7.074 -4.014 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 17 6.195 -2.329 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 17 6.164 -0.445 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.053 -1.077 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.068 -1.647 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.377 -2.790 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.165 -0.919 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.511 -2.632 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.711 -1.383 -3.936 1.00 0.00 H new ATOM 276 N GLU A 18 8.440 -1.001 -7.133 1.00 0.00 N ATOM 277 CA GLU A 18 9.802 -0.547 -7.341 1.00 0.00 C ATOM 278 C GLU A 18 10.249 0.259 -6.123 1.00 0.00 C ATOM 279 O GLU A 18 9.455 1.001 -5.549 1.00 0.00 O ATOM 280 CB GLU A 18 9.861 0.308 -8.605 1.00 0.00 C ATOM 281 CG GLU A 18 9.729 -0.564 -9.856 1.00 0.00 C ATOM 282 CD GLU A 18 8.414 -1.335 -9.879 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.479 -2.555 -10.144 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.363 -0.682 -9.699 1.00 0.00 O ATOM 0 H GLU A 18 7.732 -0.414 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 18 10.470 -1.399 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.062 1.049 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.803 0.856 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.797 0.064 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.562 -1.266 -9.898 1.00 0.00 H new ATOM 291 N PRO A 19 11.535 0.165 -5.763 1.00 0.00 N ATOM 292 CA PRO A 19 12.081 0.782 -4.570 1.00 0.00 C ATOM 293 C PRO A 19 11.992 2.306 -4.575 1.00 0.00 C ATOM 294 O PRO A 19 11.982 2.913 -3.506 1.00 0.00 O ATOM 295 CB PRO A 19 13.547 0.351 -4.514 1.00 0.00 C ATOM 296 CG PRO A 19 13.631 -0.890 -5.400 1.00 0.00 C ATOM 297 CD PRO A 19 12.488 -0.723 -6.396 1.00 0.00 C ATOM 0 HA PRO A 19 11.505 0.462 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.204 1.141 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.853 0.127 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.594 -0.952 -5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.519 -1.804 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.847 -0.304 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.030 -1.684 -6.630 1.00 0.00 H new ATOM 305 N SER A 20 11.932 2.933 -5.754 1.00 0.00 N ATOM 306 CA SER A 20 12.051 4.382 -5.842 1.00 0.00 C ATOM 307 C SER A 20 10.898 5.004 -6.624 1.00 0.00 C ATOM 308 O SER A 20 10.994 6.152 -7.052 1.00 0.00 O ATOM 309 CB SER A 20 13.388 4.734 -6.491 1.00 0.00 C ATOM 310 OG SER A 20 14.440 4.142 -5.762 1.00 0.00 O ATOM 0 H SER A 20 11.803 2.461 -6.649 1.00 0.00 H new ATOM 0 HA SER A 20 12.007 4.792 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.406 4.384 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.516 5.816 -6.519 1.00 0.00 H new ATOM 0 HG SER A 20 15.296 4.368 -6.181 1.00 0.00 H new ATOM 316 N ASP A 21 9.832 4.239 -6.858 1.00 0.00 N ATOM 317 CA ASP A 21 8.703 4.726 -7.636 1.00 0.00 C ATOM 318 C ASP A 21 7.730 5.489 -6.739 1.00 0.00 C ATOM 319 O ASP A 21 6.674 5.915 -7.199 1.00 0.00 O ATOM 320 CB ASP A 21 8.004 3.550 -8.314 1.00 0.00 C ATOM 321 CG ASP A 21 8.684 3.199 -9.633 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.997 2.594 -10.484 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.897 3.484 -9.746 1.00 0.00 O ATOM 0 H ASP A 21 9.731 3.282 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 21 9.064 5.411 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.016 2.684 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.958 3.798 -8.494 1.00 0.00 H new ATOM 328 N THR A 22 8.098 5.666 -5.466 1.00 0.00 N ATOM 329 CA THR A 22 7.323 6.419 -4.489 1.00 0.00 C ATOM 330 C THR A 22 6.164 5.579 -3.956 1.00 0.00 C ATOM 331 O THR A 22 5.739 4.619 -4.596 1.00 0.00 O ATOM 332 CB THR A 22 6.826 7.725 -5.118 1.00 0.00 C ATOM 333 OG1 THR A 22 7.910 8.393 -5.726 1.00 0.00 O ATOM 334 CG2 THR A 22 6.224 8.635 -4.051 1.00 0.00 C ATOM 0 H THR A 22 8.961 5.280 -5.084 1.00 0.00 H new ATOM 0 HA THR A 22 7.961 6.668 -3.641 1.00 0.00 H new ATOM 0 HB THR A 22 6.063 7.487 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.594 9.228 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.876 9.558 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.385 8.130 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.981 8.868 -3.302 1.00 0.00 H new ATOM 342 N ILE A 23 5.654 5.948 -2.775 1.00 0.00 N ATOM 343 CA ILE A 23 4.542 5.260 -2.140 1.00 0.00 C ATOM 344 C ILE A 23 3.341 5.202 -3.078 1.00 0.00 C ATOM 345 O ILE A 23 2.542 4.272 -2.999 1.00 0.00 O ATOM 346 CB ILE A 23 4.177 5.989 -0.841 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.290 5.819 0.200 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.859 5.452 -0.279 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.360 4.378 0.705 1.00 0.00 C ATOM 0 H ILE A 23 6.009 6.738 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 23 4.835 4.236 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 23 4.061 7.049 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.247 6.100 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.113 6.493 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.615 5.980 0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.063 5.606 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.959 4.387 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.158 4.289 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.410 4.107 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.562 3.709 -0.131 1.00 0.00 H new ATOM 361 N GLU A 24 3.198 6.200 -3.954 1.00 0.00 N ATOM 362 CA GLU A 24 2.066 6.252 -4.858 1.00 0.00 C ATOM 363 C GLU A 24 2.003 4.985 -5.704 1.00 0.00 C ATOM 364 O GLU A 24 0.918 4.535 -6.064 1.00 0.00 O ATOM 365 CB GLU A 24 2.164 7.500 -5.734 1.00 0.00 C ATOM 366 CG GLU A 24 0.897 7.628 -6.579 1.00 0.00 C ATOM 367 CD GLU A 24 0.852 8.969 -7.301 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.646 9.983 -6.597 1.00 0.00 O ATOM 369 OE2 GLU A 24 0.920 8.947 -8.549 1.00 0.00 O ATOM 0 H GLU A 24 3.853 6.976 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 24 1.144 6.309 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.290 8.386 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.040 7.437 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.859 6.818 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.019 7.525 -5.941 1.00 0.00 H new ATOM 376 N ASN A 25 3.162 4.378 -5.974 1.00 0.00 N ATOM 377 CA ASN A 25 3.218 3.173 -6.779 1.00 0.00 C ATOM 378 C ASN A 25 2.551 2.016 -6.044 1.00 0.00 C ATOM 379 O ASN A 25 1.940 1.153 -6.669 1.00 0.00 O ATOM 380 CB ASN A 25 4.679 2.839 -7.077 1.00 0.00 C ATOM 381 CG ASN A 25 4.797 1.718 -8.101 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.801 1.286 -8.676 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.015 1.212 -8.293 1.00 0.00 N ATOM 0 H ASN A 25 4.069 4.707 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 25 2.684 3.336 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.188 3.728 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.182 2.546 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.148 0.434 -8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.814 1.603 -7.794 1.00 0.00 H new ATOM 390 N VAL A 26 2.612 2.024 -4.710 1.00 0.00 N ATOM 391 CA VAL A 26 2.000 0.968 -3.927 1.00 0.00 C ATOM 392 C VAL A 26 0.488 1.036 -4.092 1.00 0.00 C ATOM 393 O VAL A 26 -0.192 0.013 -4.045 1.00 0.00 O ATOM 394 CB VAL A 26 2.390 1.131 -2.456 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.785 -0.002 -1.628 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.911 1.100 -2.312 1.00 0.00 C ATOM 0 H VAL A 26 3.077 2.747 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 26 2.350 -0.005 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 26 2.010 2.088 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.067 0.121 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.699 0.023 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.157 -0.959 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.180 1.217 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.292 0.147 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.348 1.914 -2.891 1.00 0.00 H new ATOM 406 N LYS A 27 -0.033 2.243 -4.326 1.00 0.00 N ATOM 407 CA LYS A 27 -1.455 2.436 -4.528 1.00 0.00 C ATOM 408 C LYS A 27 -1.825 2.131 -5.974 1.00 0.00 C ATOM 409 O LYS A 27 -2.944 1.703 -6.249 1.00 0.00 O ATOM 410 CB LYS A 27 -1.824 3.879 -4.180 1.00 0.00 C ATOM 411 CG LYS A 27 -1.498 4.155 -2.711 1.00 0.00 C ATOM 412 CD LYS A 27 -1.967 5.556 -2.316 1.00 0.00 C ATOM 413 CE LYS A 27 -1.205 6.607 -3.120 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.575 7.969 -2.701 1.00 0.00 N ATOM 0 H LYS A 27 0.519 3.099 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.009 1.757 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.275 4.569 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.885 4.048 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.982 3.411 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.424 4.064 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.038 5.654 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.807 5.715 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.133 6.462 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.416 6.480 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.042 8.662 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.594 8.113 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.350 8.095 -1.693 1.00 0.00 H new ATOM 428 N ALA A 28 -0.880 2.330 -6.897 1.00 0.00 N ATOM 429 CA ALA A 28 -1.147 2.158 -8.312 1.00 0.00 C ATOM 430 C ALA A 28 -1.208 0.681 -8.686 1.00 0.00 C ATOM 431 O ALA A 28 -2.024 0.291 -9.518 1.00 0.00 O ATOM 432 CB ALA A 28 -0.049 2.854 -9.113 1.00 0.00 C ATOM 0 H ALA A 28 0.076 2.611 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.116 2.601 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.242 2.730 -10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.037 3.916 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.917 2.414 -8.865 1.00 0.00 H new ATOM 438 N LYS A 29 -0.372 -0.152 -8.060 1.00 0.00 N ATOM 439 CA LYS A 29 -0.344 -1.565 -8.398 1.00 0.00 C ATOM 440 C LYS A 29 -1.569 -2.266 -7.826 1.00 0.00 C ATOM 441 O LYS A 29 -1.997 -3.292 -8.351 1.00 0.00 O ATOM 442 CB LYS A 29 0.936 -2.202 -7.854 1.00 0.00 C ATOM 443 CG LYS A 29 2.174 -1.541 -8.462 1.00 0.00 C ATOM 444 CD LYS A 29 2.272 -1.836 -9.957 1.00 0.00 C ATOM 445 CE LYS A 29 3.532 -1.173 -10.511 1.00 0.00 C ATOM 446 NZ LYS A 29 3.667 -1.407 -11.957 1.00 0.00 N ATOM 0 H LYS A 29 0.282 0.128 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.359 -1.673 -9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.963 -2.105 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.940 -3.269 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.131 -0.464 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.069 -1.903 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.306 -2.912 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.389 -1.459 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.498 -0.101 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.408 -1.563 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.532 -0.945 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.724 -2.429 -12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.841 -1.012 -12.451 1.00 0.00 H new ATOM 460 N ILE A 30 -2.169 -1.688 -6.781 1.00 0.00 N ATOM 461 CA ILE A 30 -3.361 -2.263 -6.188 1.00 0.00 C ATOM 462 C ILE A 30 -4.597 -1.687 -6.867 1.00 0.00 C ATOM 463 O ILE A 30 -5.650 -2.319 -6.873 1.00 0.00 O ATOM 464 CB ILE A 30 -3.375 -1.978 -4.684 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.190 -2.686 -4.025 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.673 -2.502 -4.070 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.065 -2.263 -2.562 1.00 0.00 C ATOM 0 H ILE A 30 -1.845 -0.829 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.363 -3.343 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.304 -0.903 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.322 -3.766 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.271 -2.446 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.678 -2.297 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.523 -2.006 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.745 -3.577 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.217 -2.775 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.910 -1.185 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.978 -2.526 -2.028 1.00 0.00 H new ATOM 479 N GLN A 31 -4.456 -0.522 -7.505 1.00 0.00 N ATOM 480 CA GLN A 31 -5.556 0.067 -8.242 1.00 0.00 C ATOM 481 C GLN A 31 -5.928 -0.852 -9.399 1.00 0.00 C ATOM 482 O GLN A 31 -7.094 -0.948 -9.772 1.00 0.00 O ATOM 483 CB GLN A 31 -5.137 1.441 -8.762 1.00 0.00 C ATOM 484 CG GLN A 31 -6.308 2.102 -9.487 1.00 0.00 C ATOM 485 CD GLN A 31 -5.898 3.435 -10.099 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.046 4.137 -9.559 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.509 3.785 -11.232 1.00 0.00 N ATOM 0 H GLN A 31 -3.593 0.022 -7.521 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.423 0.188 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.810 2.069 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.289 1.340 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.676 1.438 -10.269 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.130 2.258 -8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.210 3.170 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.275 4.668 -11.686 1.00 0.00 H new ATOM 496 N ASP A 32 -4.928 -1.540 -9.953 1.00 0.00 N ATOM 497 CA ASP A 32 -5.127 -2.444 -11.069 1.00 0.00 C ATOM 498 C ASP A 32 -5.697 -3.777 -10.595 1.00 0.00 C ATOM 499 O ASP A 32 -6.374 -4.464 -11.358 1.00 0.00 O ATOM 500 CB ASP A 32 -3.786 -2.674 -11.759 1.00 0.00 C ATOM 501 CG ASP A 32 -3.933 -3.629 -12.935 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.708 -4.839 -12.714 1.00 0.00 O ATOM 503 OD2 ASP A 32 -4.167 -3.120 -14.053 1.00 0.00 O ATOM 0 H ASP A 32 -3.961 -1.481 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.839 -2.000 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.384 -1.722 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.070 -3.080 -11.044 1.00 0.00 H new ATOM 508 N LYS A 33 -5.408 -4.155 -9.347 1.00 0.00 N ATOM 509 CA LYS A 33 -5.794 -5.461 -8.848 1.00 0.00 C ATOM 510 C LYS A 33 -7.131 -5.394 -8.119 1.00 0.00 C ATOM 511 O LYS A 33 -8.021 -6.199 -8.384 1.00 0.00 O ATOM 512 CB LYS A 33 -4.701 -5.981 -7.913 1.00 0.00 C ATOM 513 CG LYS A 33 -4.779 -7.504 -7.798 1.00 0.00 C ATOM 514 CD LYS A 33 -4.331 -8.136 -9.116 1.00 0.00 C ATOM 515 CE LYS A 33 -4.337 -9.658 -8.999 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.941 -10.286 -10.272 1.00 0.00 N ATOM 0 H LYS A 33 -4.911 -3.573 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.911 -6.143 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.721 -5.688 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.811 -5.529 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.146 -7.851 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.798 -7.810 -7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.995 -7.823 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.331 -7.788 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.654 -9.968 -8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.332 -10.001 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.953 -11.321 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.608 -10.006 -11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.982 -9.975 -10.529 1.00 0.00 H new ATOM 530 N GLU A 34 -7.265 -4.450 -7.184 1.00 0.00 N ATOM 531 CA GLU A 34 -8.477 -4.321 -6.396 1.00 0.00 C ATOM 532 C GLU A 34 -9.473 -3.417 -7.114 1.00 0.00 C ATOM 533 O GLU A 34 -10.672 -3.478 -6.851 1.00 0.00 O ATOM 534 CB GLU A 34 -8.119 -3.753 -5.023 1.00 0.00 C ATOM 535 CG GLU A 34 -9.281 -3.934 -4.048 1.00 0.00 C ATOM 536 CD GLU A 34 -9.667 -5.402 -3.922 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.866 -5.693 -4.119 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.752 -6.214 -3.664 1.00 0.00 O ATOM 0 H GLU A 34 -6.543 -3.766 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.942 -5.299 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.231 -4.253 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.874 -2.695 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.003 -3.543 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.140 -3.357 -4.390 1.00 0.00 H new ATOM 545 N GLY A 35 -8.983 -2.629 -8.074 1.00 0.00 N ATOM 546 CA GLY A 35 -9.831 -1.790 -8.902 1.00 0.00 C ATOM 547 C GLY A 35 -10.195 -0.483 -8.203 1.00 0.00 C ATOM 548 O GLY A 35 -10.758 0.409 -8.832 1.00 0.00 O ATOM 0 H GLY A 35 -7.989 -2.560 -8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.320 -1.570 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.742 -2.332 -9.155 1.00 0.00 H new ATOM 552 N ILE A 36 -9.887 -0.366 -6.907 1.00 0.00 N ATOM 553 CA ILE A 36 -10.214 0.829 -6.145 1.00 0.00 C ATOM 554 C ILE A 36 -9.251 1.959 -6.507 1.00 0.00 C ATOM 555 O ILE A 36 -8.052 1.843 -6.262 1.00 0.00 O ATOM 556 CB ILE A 36 -10.136 0.518 -4.650 1.00 0.00 C ATOM 557 CG1 ILE A 36 -11.084 -0.637 -4.321 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.527 1.759 -3.846 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.935 -1.049 -2.857 1.00 0.00 C ATOM 0 H ILE A 36 -9.411 -1.090 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.227 1.148 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.117 0.232 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.114 -0.338 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.869 -1.487 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.471 1.535 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.844 2.575 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.545 2.052 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.616 -1.872 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.909 -1.368 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.173 -0.201 -2.214 1.00 0.00 H new ATOM 571 N PRO A 37 -9.775 3.068 -7.047 1.00 0.00 N ATOM 572 CA PRO A 37 -8.989 4.228 -7.421 1.00 0.00 C ATOM 573 C PRO A 37 -8.242 4.805 -6.220 1.00 0.00 C ATOM 574 O PRO A 37 -8.549 4.472 -5.076 1.00 0.00 O ATOM 575 CB PRO A 37 -9.986 5.248 -7.977 1.00 0.00 C ATOM 576 CG PRO A 37 -11.229 4.431 -8.332 1.00 0.00 C ATOM 577 CD PRO A 37 -11.172 3.235 -7.386 1.00 0.00 C ATOM 0 HA PRO A 37 -8.229 3.964 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.216 6.017 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.584 5.756 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.141 5.010 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.214 4.115 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.772 3.413 -6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.568 2.339 -7.864 1.00 0.00 H new ATOM 585 N PRO A 38 -7.316 5.736 -6.474 1.00 0.00 N ATOM 586 CA PRO A 38 -6.553 6.413 -5.447 1.00 0.00 C ATOM 587 C PRO A 38 -7.467 7.242 -4.549 1.00 0.00 C ATOM 588 O PRO A 38 -8.625 7.477 -4.889 1.00 0.00 O ATOM 589 CB PRO A 38 -5.562 7.316 -6.184 1.00 0.00 C ATOM 590 CG PRO A 38 -5.538 6.794 -7.622 1.00 0.00 C ATOM 591 CD PRO A 38 -6.897 6.125 -7.802 1.00 0.00 C ATOM 0 HA PRO A 38 -6.041 5.700 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.878 8.359 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.572 7.267 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.395 7.604 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.723 6.087 -7.775 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.614 6.809 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.824 5.259 -8.460 1.00 0.00 H new ATOM 599 N ASP A 39 -6.919 7.721 -3.427 1.00 0.00 N ATOM 600 CA ASP A 39 -7.618 8.565 -2.466 1.00 0.00 C ATOM 601 C ASP A 39 -8.655 7.765 -1.687 1.00 0.00 C ATOM 602 O ASP A 39 -8.796 7.943 -0.479 1.00 0.00 O ATOM 603 CB ASP A 39 -8.262 9.758 -3.170 1.00 0.00 C ATOM 604 CG ASP A 39 -8.714 10.795 -2.151 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.924 10.794 -1.834 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.822 11.495 -1.624 1.00 0.00 O ATOM 0 H ASP A 39 -5.954 7.525 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.887 8.944 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.551 10.206 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.115 9.423 -3.760 1.00 0.00 H new ATOM 611 N GLN A 40 -9.353 6.856 -2.368 1.00 0.00 N ATOM 612 CA GLN A 40 -10.323 5.990 -1.728 1.00 0.00 C ATOM 613 C GLN A 40 -9.586 5.013 -0.821 1.00 0.00 C ATOM 614 O GLN A 40 -10.196 4.368 0.031 1.00 0.00 O ATOM 615 CB GLN A 40 -11.121 5.247 -2.798 1.00 0.00 C ATOM 616 CG GLN A 40 -12.012 6.242 -3.541 1.00 0.00 C ATOM 617 CD GLN A 40 -12.769 5.569 -4.678 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.360 4.507 -4.496 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.772 6.203 -5.851 1.00 0.00 N ATOM 0 H GLN A 40 -9.258 6.706 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.018 6.574 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.445 4.754 -3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.729 4.468 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.721 6.689 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.402 7.053 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.267 7.083 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.279 5.808 -6.643 1.00 0.00 H new ATOM 628 N GLN A 41 -8.271 4.897 -1.022 1.00 0.00 N ATOM 629 CA GLN A 41 -7.426 4.024 -0.234 1.00 0.00 C ATOM 630 C GLN A 41 -6.404 4.848 0.545 1.00 0.00 C ATOM 631 O GLN A 41 -6.067 5.959 0.142 1.00 0.00 O ATOM 632 CB GLN A 41 -6.744 3.027 -1.170 1.00 0.00 C ATOM 633 CG GLN A 41 -5.802 3.772 -2.115 1.00 0.00 C ATOM 634 CD GLN A 41 -5.233 2.835 -3.170 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.151 2.282 -2.992 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.963 2.657 -4.272 1.00 0.00 N ATOM 0 H GLN A 41 -7.768 5.414 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.024 3.473 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.187 2.291 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.493 2.480 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.338 4.588 -2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.988 4.220 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.856 3.138 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.628 2.040 -5.012 1.00 0.00 H new ATOM 645 N ARG A 42 -5.859 4.265 1.617 1.00 0.00 N ATOM 646 CA ARG A 42 -4.871 4.915 2.464 1.00 0.00 C ATOM 647 C ARG A 42 -3.909 3.861 2.999 1.00 0.00 C ATOM 648 O ARG A 42 -4.328 2.749 3.311 1.00 0.00 O ATOM 649 CB ARG A 42 -5.584 5.626 3.616 1.00 0.00 C ATOM 650 CG ARG A 42 -6.141 6.970 3.145 1.00 0.00 C ATOM 651 CD ARG A 42 -7.148 7.496 4.164 1.00 0.00 C ATOM 652 NE ARG A 42 -8.423 6.782 4.045 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.971 6.048 5.023 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.345 5.918 6.199 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.145 5.437 4.821 1.00 0.00 N ATOM 0 H ARG A 42 -6.098 3.320 1.919 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.308 5.653 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.393 5.001 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.890 5.781 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.329 7.687 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.620 6.855 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.750 7.376 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.307 8.563 4.009 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.926 6.848 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.448 6.378 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.765 5.359 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.621 5.531 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.564 4.878 5.564 1.00 0.00 H new ATOM 669 N LEU A 43 -2.627 4.215 3.131 1.00 0.00 N ATOM 670 CA LEU A 43 -1.605 3.265 3.539 1.00 0.00 C ATOM 671 C LEU A 43 -1.031 3.642 4.901 1.00 0.00 C ATOM 672 O LEU A 43 -1.062 4.806 5.296 1.00 0.00 O ATOM 673 CB LEU A 43 -0.494 3.249 2.488 1.00 0.00 C ATOM 674 CG LEU A 43 -0.870 2.351 1.310 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.146 2.549 0.187 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.852 0.884 1.739 1.00 0.00 C ATOM 0 H LEU A 43 -2.278 5.158 2.959 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.050 2.274 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.309 4.263 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.433 2.895 2.939 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.871 2.614 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.116 1.911 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.139 3.592 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.141 2.285 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.121 0.254 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.147 0.618 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.568 0.732 2.546 1.00 0.00 H new ATOM 688 N ALA A 44 -0.483 2.645 5.602 1.00 0.00 N ATOM 689 CA ALA A 44 0.162 2.831 6.889 1.00 0.00 C ATOM 690 C ALA A 44 1.043 1.621 7.187 1.00 0.00 C ATOM 691 O ALA A 44 0.957 0.605 6.499 1.00 0.00 O ATOM 692 CB ALA A 44 -0.902 2.988 7.972 1.00 0.00 C ATOM 0 H ALA A 44 -0.479 1.677 5.281 1.00 0.00 H new ATOM 0 HA ALA A 44 0.781 3.728 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.419 3.128 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.524 3.855 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.524 2.094 8.003 1.00 0.00 H new ATOM 698 N PHE A 45 1.868 1.718 8.233 1.00 0.00 N ATOM 699 CA PHE A 45 2.716 0.620 8.663 1.00 0.00 C ATOM 700 C PHE A 45 2.844 0.625 10.179 1.00 0.00 C ATOM 701 O PHE A 45 3.454 1.528 10.744 1.00 0.00 O ATOM 702 CB PHE A 45 4.084 0.733 7.996 1.00 0.00 C ATOM 703 CG PHE A 45 4.962 -0.481 8.212 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.537 -0.715 9.468 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.171 -1.392 7.169 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.345 -1.841 9.671 1.00 0.00 C ATOM 707 CE2 PHE A 45 5.979 -2.518 7.372 1.00 0.00 C ATOM 708 CZ PHE A 45 6.571 -2.740 8.621 1.00 0.00 C ATOM 0 H PHE A 45 1.962 2.561 8.800 1.00 0.00 H new ATOM 0 HA PHE A 45 2.265 -0.326 8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.946 0.886 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.596 1.615 8.381 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.357 -0.027 10.280 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.709 -1.226 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.794 -2.016 10.638 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.145 -3.215 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.201 -3.603 8.775 1.00 0.00 H new ATOM 718 N ALA A 46 2.301 -0.406 10.833 1.00 0.00 N ATOM 719 CA ALA A 46 2.343 -0.518 12.281 1.00 0.00 C ATOM 720 C ALA A 46 1.791 0.745 12.939 1.00 0.00 C ATOM 721 O ALA A 46 2.096 1.027 14.096 1.00 0.00 O ATOM 722 CB ALA A 46 3.775 -0.804 12.730 1.00 0.00 C ATOM 0 H ALA A 46 1.824 -1.179 10.370 1.00 0.00 H new ATOM 0 HA ALA A 46 1.710 -1.348 12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.806 -0.888 13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.116 -1.738 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.426 0.010 12.410 1.00 0.00 H new ATOM 728 N GLY A 47 1.002 1.520 12.188 1.00 0.00 N ATOM 729 CA GLY A 47 0.372 2.724 12.700 1.00 0.00 C ATOM 730 C GLY A 47 1.079 3.974 12.191 1.00 0.00 C ATOM 731 O GLY A 47 0.548 5.076 12.311 1.00 0.00 O ATOM 0 H GLY A 47 0.787 1.324 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.675 2.747 12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.389 2.711 13.790 1.00 0.00 H new ATOM 735 N LYS A 48 2.259 3.805 11.589 1.00 0.00 N ATOM 736 CA LYS A 48 3.000 4.923 11.037 1.00 0.00 C ATOM 737 C LYS A 48 2.388 5.319 9.701 1.00 0.00 C ATOM 738 O LYS A 48 2.260 4.485 8.807 1.00 0.00 O ATOM 739 CB LYS A 48 4.465 4.531 10.858 1.00 0.00 C ATOM 740 CG LYS A 48 5.056 4.095 12.198 1.00 0.00 C ATOM 741 CD LYS A 48 6.521 3.708 12.007 1.00 0.00 C ATOM 742 CE LYS A 48 7.129 3.331 13.357 1.00 0.00 C ATOM 743 NZ LYS A 48 8.532 2.915 13.207 1.00 0.00 N ATOM 0 H LYS A 48 2.716 2.900 11.475 1.00 0.00 H new ATOM 0 HA LYS A 48 2.949 5.773 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.547 3.721 10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.030 5.374 10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.974 4.904 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.495 3.250 12.597 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.599 2.870 11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.073 4.538 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.069 4.181 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.552 2.522 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.921 2.664 14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.584 2.090 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.084 3.697 12.800 1.00 0.00 H new ATOM 757 N GLN A 49 1.984 6.584 9.577 1.00 0.00 N ATOM 758 CA GLN A 49 1.375 7.077 8.356 1.00 0.00 C ATOM 759 C GLN A 49 2.416 7.130 7.245 1.00 0.00 C ATOM 760 O GLN A 49 3.572 7.471 7.492 1.00 0.00 O ATOM 761 CB GLN A 49 0.778 8.463 8.607 1.00 0.00 C ATOM 762 CG GLN A 49 1.875 9.464 8.969 1.00 0.00 C ATOM 763 CD GLN A 49 1.277 10.817 9.333 1.00 0.00 C ATOM 764 OE1 GLN A 49 0.201 10.885 9.923 1.00 0.00 O ATOM 765 NE2 GLN A 49 1.963 11.896 8.955 1.00 0.00 N ATOM 0 H GLN A 49 2.071 7.283 10.315 1.00 0.00 H new ATOM 0 HA GLN A 49 0.576 6.403 8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.247 8.803 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.047 8.409 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.459 9.083 9.807 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.560 9.579 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.853 11.790 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.598 12.828 9.154 1.00 0.00 H new ATOM 774 N LEU A 50 2.010 6.777 6.023 1.00 0.00 N ATOM 775 CA LEU A 50 2.887 6.850 4.869 1.00 0.00 C ATOM 776 C LEU A 50 2.427 7.986 3.967 1.00 0.00 C ATOM 777 O LEU A 50 1.254 8.353 3.986 1.00 0.00 O ATOM 778 CB LEU A 50 2.869 5.516 4.122 1.00 0.00 C ATOM 779 CG LEU A 50 3.316 4.384 5.049 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.267 3.066 4.281 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.746 4.629 5.525 1.00 0.00 C ATOM 0 H LEU A 50 1.071 6.436 5.814 1.00 0.00 H new ATOM 0 HA LEU A 50 3.911 7.046 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.865 5.314 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.528 5.568 3.255 1.00 0.00 H new ATOM 0 HG LEU A 50 2.653 4.344 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.584 2.253 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.248 2.881 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.934 3.121 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.054 3.817 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.414 4.671 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.792 5.574 6.067 1.00 0.00 H new ATOM 793 N GLU A 51 3.344 8.536 3.168 1.00 0.00 N ATOM 794 CA GLU A 51 3.012 9.625 2.271 1.00 0.00 C ATOM 795 C GLU A 51 3.860 9.526 1.007 1.00 0.00 C ATOM 796 O GLU A 51 4.917 8.899 1.013 1.00 0.00 O ATOM 797 CB GLU A 51 3.243 10.949 3.000 1.00 0.00 C ATOM 798 CG GLU A 51 2.803 12.128 2.136 1.00 0.00 C ATOM 799 CD GLU A 51 2.824 13.422 2.939 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.943 13.907 3.212 1.00 0.00 O ATOM 801 OE2 GLU A 51 1.720 13.876 3.313 1.00 0.00 O ATOM 0 H GLU A 51 4.319 8.240 3.130 1.00 0.00 H new ATOM 0 HA GLU A 51 1.965 9.569 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.689 10.954 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.299 11.051 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.463 12.219 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.799 11.949 1.752 1.00 0.00 H new ATOM 808 N ASP A 52 3.381 10.128 -0.083 1.00 0.00 N ATOM 809 CA ASP A 52 4.092 10.119 -1.348 1.00 0.00 C ATOM 810 C ASP A 52 5.133 11.232 -1.372 1.00 0.00 C ATOM 811 O ASP A 52 5.074 12.162 -0.571 1.00 0.00 O ATOM 812 CB ASP A 52 3.094 10.296 -2.490 1.00 0.00 C ATOM 813 CG ASP A 52 2.328 11.605 -2.350 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.277 11.576 -1.673 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.757 12.589 -2.991 1.00 0.00 O ATOM 0 H ASP A 52 2.494 10.631 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 52 4.607 9.166 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.621 10.280 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.394 9.460 -2.498 1.00 0.00 H new ATOM 820 N GLY A 53 6.088 11.133 -2.301 1.00 0.00 N ATOM 821 CA GLY A 53 7.122 12.137 -2.464 1.00 0.00 C ATOM 822 C GLY A 53 8.452 11.645 -1.905 1.00 0.00 C ATOM 823 O GLY A 53 9.436 12.383 -1.918 1.00 0.00 O ATOM 0 H GLY A 53 6.159 10.354 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.235 12.380 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.827 13.055 -1.955 1.00 0.00 H new ATOM 827 N ARG A 54 8.481 10.410 -1.396 1.00 0.00 N ATOM 828 CA ARG A 54 9.688 9.853 -0.816 1.00 0.00 C ATOM 829 C ARG A 54 9.863 8.402 -1.254 1.00 0.00 C ATOM 830 O ARG A 54 8.884 7.710 -1.527 1.00 0.00 O ATOM 831 CB ARG A 54 9.590 9.965 0.707 1.00 0.00 C ATOM 832 CG ARG A 54 10.846 9.418 1.382 1.00 0.00 C ATOM 833 CD ARG A 54 10.741 9.628 2.891 1.00 0.00 C ATOM 834 NE ARG A 54 11.883 9.036 3.588 1.00 0.00 N ATOM 835 CZ ARG A 54 11.944 8.899 4.920 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.938 9.340 5.687 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.008 8.315 5.484 1.00 0.00 N ATOM 0 H ARG A 54 7.677 9.783 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 54 10.562 10.405 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.447 11.008 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.716 9.417 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.960 8.357 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.731 9.923 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.691 10.695 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.816 9.183 3.259 1.00 0.00 H new ATOM 0 HE ARG A 54 12.674 8.711 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.124 9.781 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.986 9.235 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.772 7.974 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.055 8.211 6.498 1.00 0.00 H new ATOM 851 N THR A 55 11.113 7.931 -1.252 1.00 0.00 N ATOM 852 CA THR A 55 11.440 6.551 -1.558 1.00 0.00 C ATOM 853 C THR A 55 10.772 5.651 -0.525 1.00 0.00 C ATOM 854 O THR A 55 11.064 5.753 0.665 1.00 0.00 O ATOM 855 CB THR A 55 12.960 6.394 -1.514 1.00 0.00 C ATOM 856 OG1 THR A 55 13.550 7.324 -2.394 1.00 0.00 O ATOM 857 CG2 THR A 55 13.366 4.985 -1.932 1.00 0.00 C ATOM 0 H THR A 55 11.926 8.507 -1.035 1.00 0.00 H new ATOM 0 HA THR A 55 11.083 6.272 -2.549 1.00 0.00 H new ATOM 0 HB THR A 55 13.301 6.572 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.525 7.227 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.451 4.893 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.917 4.260 -1.253 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.021 4.793 -2.948 1.00 0.00 H new ATOM 865 N LEU A 56 9.849 4.795 -0.969 1.00 0.00 N ATOM 866 CA LEU A 56 9.080 3.973 -0.053 1.00 0.00 C ATOM 867 C LEU A 56 9.992 3.035 0.730 1.00 0.00 C ATOM 868 O LEU A 56 9.724 2.751 1.896 1.00 0.00 O ATOM 869 CB LEU A 56 8.010 3.197 -0.828 1.00 0.00 C ATOM 870 CG LEU A 56 8.617 2.218 -1.836 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.789 0.838 -1.204 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.664 2.084 -3.021 1.00 0.00 C ATOM 0 H LEU A 56 9.622 4.659 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 56 8.581 4.618 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.382 2.649 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.363 3.900 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 56 9.590 2.594 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.222 0.155 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.451 0.913 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.818 0.460 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.083 1.389 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.702 1.708 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.526 3.059 -3.489 1.00 0.00 H new ATOM 884 N SER A 57 11.106 2.614 0.125 1.00 0.00 N ATOM 885 CA SER A 57 12.020 1.699 0.782 1.00 0.00 C ATOM 886 C SER A 57 12.775 2.413 1.896 1.00 0.00 C ATOM 887 O SER A 57 13.266 1.772 2.823 1.00 0.00 O ATOM 888 CB SER A 57 12.998 1.138 -0.246 1.00 0.00 C ATOM 889 OG SER A 57 12.281 0.455 -1.250 1.00 0.00 O ATOM 0 H SER A 57 11.389 2.895 -0.814 1.00 0.00 H new ATOM 0 HA SER A 57 11.453 0.880 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.583 1.946 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.703 0.461 0.237 1.00 0.00 H new ATOM 0 HG SER A 57 12.834 -0.269 -1.612 1.00 0.00 H new ATOM 895 N ASP A 58 12.862 3.743 1.813 1.00 0.00 N ATOM 896 CA ASP A 58 13.525 4.529 2.836 1.00 0.00 C ATOM 897 C ASP A 58 12.507 5.010 3.862 1.00 0.00 C ATOM 898 O ASP A 58 12.875 5.406 4.966 1.00 0.00 O ATOM 899 CB ASP A 58 14.227 5.718 2.182 1.00 0.00 C ATOM 900 CG ASP A 58 14.997 6.528 3.215 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.646 7.716 3.385 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.929 5.947 3.814 1.00 0.00 O ATOM 0 H ASP A 58 12.478 4.291 1.043 1.00 0.00 H new ATOM 0 HA ASP A 58 14.266 3.915 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.909 5.363 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.491 6.354 1.690 1.00 0.00 H new ATOM 907 N TYR A 59 11.221 4.950 3.505 1.00 0.00 N ATOM 908 CA TYR A 59 10.156 5.410 4.373 1.00 0.00 C ATOM 909 C TYR A 59 9.955 4.442 5.533 1.00 0.00 C ATOM 910 O TYR A 59 10.249 4.780 6.678 1.00 0.00 O ATOM 911 CB TYR A 59 8.871 5.575 3.560 1.00 0.00 C ATOM 912 CG TYR A 59 7.998 6.711 4.040 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.509 7.652 3.123 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.683 6.828 5.401 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.708 8.713 3.564 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.878 7.882 5.848 1.00 0.00 C ATOM 917 CZ TYR A 59 6.387 8.830 4.930 1.00 0.00 C ATOM 918 OH TYR A 59 5.604 9.859 5.363 1.00 0.00 O ATOM 0 H TYR A 59 10.900 4.582 2.610 1.00 0.00 H new ATOM 0 HA TYR A 59 10.427 6.377 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.130 5.743 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.302 4.646 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.750 7.559 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.062 6.103 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.337 9.440 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.634 7.968 6.896 1.00 0.00 H new ATOM 0 HH TYR A 59 5.479 9.790 6.333 1.00 0.00 H new ATOM 928 N ASN A 60 9.403 3.260 5.244 1.00 0.00 N ATOM 929 CA ASN A 60 9.133 2.262 6.265 1.00 0.00 C ATOM 930 C ASN A 60 9.093 0.871 5.642 1.00 0.00 C ATOM 931 O ASN A 60 9.235 -0.124 6.349 1.00 0.00 O ATOM 932 CB ASN A 60 7.787 2.560 6.927 1.00 0.00 C ATOM 933 CG ASN A 60 7.919 3.618 8.015 1.00 0.00 C ATOM 934 OD1 ASN A 60 7.100 4.668 7.934 1.00 0.00 O flip ATOM 935 ND2 ASN A 60 8.710 3.462 8.942 1.00 0.00 N flip ATOM 0 H ASN A 60 9.135 2.976 4.302 1.00 0.00 H new ATOM 0 HA ASN A 60 9.926 2.296 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.077 2.900 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.382 1.644 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.317 2.643 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.759 4.152 9.692 1.00 0.00 H new ATOM 942 N ILE A 61 8.788 0.796 4.343 1.00 0.00 N ATOM 943 CA ILE A 61 8.634 -0.478 3.663 1.00 0.00 C ATOM 944 C ILE A 61 9.902 -1.304 3.837 1.00 0.00 C ATOM 945 O ILE A 61 11.010 -0.788 3.698 1.00 0.00 O ATOM 946 CB ILE A 61 8.339 -0.246 2.178 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.870 0.136 1.984 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.592 -1.540 1.404 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.638 1.592 2.383 1.00 0.00 C ATOM 0 H ILE A 61 8.644 1.610 3.746 1.00 0.00 H new ATOM 0 HA ILE A 61 7.797 -1.024 4.098 1.00 0.00 H new ATOM 0 HB ILE A 61 8.984 0.555 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.584 -0.012 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.236 -0.517 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.383 -1.378 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.633 -1.840 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.941 -2.326 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.588 1.846 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.903 1.729 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.257 2.242 1.764 1.00 0.00 H new ATOM 961 N GLN A 62 9.733 -2.599 4.116 1.00 0.00 N ATOM 962 CA GLN A 62 10.848 -3.513 4.265 1.00 0.00 C ATOM 963 C GLN A 62 10.551 -4.790 3.488 1.00 0.00 C ATOM 964 O GLN A 62 9.435 -4.980 3.007 1.00 0.00 O ATOM 965 CB GLN A 62 11.070 -3.801 5.749 1.00 0.00 C ATOM 966 CG GLN A 62 11.765 -2.606 6.399 1.00 0.00 C ATOM 967 CD GLN A 62 11.886 -2.791 7.906 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.331 -3.835 8.375 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.489 -1.770 8.667 1.00 0.00 N ATOM 0 H GLN A 62 8.819 -3.034 4.243 1.00 0.00 H new ATOM 0 HA GLN A 62 11.761 -3.072 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.116 -3.992 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.677 -4.699 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.757 -2.479 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.204 -1.696 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.126 -0.921 8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.549 -1.838 9.683 1.00 0.00 H new ATOM 978 N LYS A 63 11.564 -5.644 3.331 1.00 0.00 N ATOM 979 CA LYS A 63 11.430 -6.873 2.573 1.00 0.00 C ATOM 980 C LYS A 63 10.437 -7.813 3.248 1.00 0.00 C ATOM 981 O LYS A 63 10.597 -8.158 4.417 1.00 0.00 O ATOM 982 CB LYS A 63 12.801 -7.534 2.404 1.00 0.00 C ATOM 983 CG LYS A 63 13.453 -7.825 3.756 1.00 0.00 C ATOM 984 CD LYS A 63 14.822 -8.459 3.522 1.00 0.00 C ATOM 985 CE LYS A 63 15.479 -8.767 4.865 1.00 0.00 C ATOM 986 NZ LYS A 63 16.788 -9.413 4.676 1.00 0.00 N ATOM 0 H LYS A 63 12.493 -5.497 3.726 1.00 0.00 H new ATOM 0 HA LYS A 63 11.040 -6.641 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.692 -8.463 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.450 -6.883 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.558 -6.904 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.823 -8.495 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.716 -9.374 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.453 -7.784 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.603 -7.845 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.830 -9.417 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.214 -9.612 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.663 -10.304 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.413 -8.780 4.137 1.00 0.00 H new ATOM 1000 N GLU A 64 9.400 -8.210 2.505 1.00 0.00 N ATOM 1001 CA GLU A 64 8.400 -9.147 2.983 1.00 0.00 C ATOM 1002 C GLU A 64 7.891 -8.760 4.370 1.00 0.00 C ATOM 1003 O GLU A 64 7.661 -9.630 5.208 1.00 0.00 O ATOM 1004 CB GLU A 64 8.985 -10.560 2.980 1.00 0.00 C ATOM 1005 CG GLU A 64 9.275 -11.012 1.547 1.00 0.00 C ATOM 1006 CD GLU A 64 10.570 -10.405 1.021 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.479 -9.633 0.042 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.636 -10.773 1.561 1.00 0.00 O ATOM 0 H GLU A 64 9.237 -7.885 1.552 1.00 0.00 H new ATOM 0 HA GLU A 64 7.541 -9.118 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.902 -10.582 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.287 -11.251 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.342 -12.099 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.447 -10.724 0.899 1.00 0.00 H new ATOM 1015 N SER A 65 7.659 -7.464 4.598 1.00 0.00 N ATOM 1016 CA SER A 65 7.055 -7.018 5.840 1.00 0.00 C ATOM 1017 C SER A 65 5.588 -6.691 5.581 1.00 0.00 C ATOM 1018 O SER A 65 5.223 -6.317 4.468 1.00 0.00 O ATOM 1019 CB SER A 65 7.804 -5.795 6.361 1.00 0.00 C ATOM 1020 OG SER A 65 9.111 -6.170 6.733 1.00 0.00 O ATOM 0 H SER A 65 7.881 -6.717 3.940 1.00 0.00 H new ATOM 0 HA SER A 65 7.116 -7.801 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.840 -5.022 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.278 -5.370 7.216 1.00 0.00 H new ATOM 0 HG SER A 65 9.362 -5.706 7.559 1.00 0.00 H new ATOM 1026 N THR A 66 4.755 -6.782 6.619 1.00 0.00 N ATOM 1027 CA THR A 66 3.324 -6.583 6.469 1.00 0.00 C ATOM 1028 C THR A 66 2.988 -5.096 6.502 1.00 0.00 C ATOM 1029 O THR A 66 3.429 -4.378 7.397 1.00 0.00 O ATOM 1030 CB THR A 66 2.599 -7.323 7.593 1.00 0.00 C ATOM 1031 OG1 THR A 66 3.024 -8.668 7.619 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.090 -7.275 7.362 1.00 0.00 C ATOM 0 H THR A 66 5.053 -6.993 7.571 1.00 0.00 H new ATOM 0 HA THR A 66 2.999 -6.979 5.507 1.00 0.00 H new ATOM 0 HB THR A 66 2.832 -6.843 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.561 -9.143 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.582 -7.805 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.758 -6.237 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.852 -7.749 6.410 1.00 0.00 H new ATOM 1040 N LEU A 67 2.165 -4.649 5.548 1.00 0.00 N ATOM 1041 CA LEU A 67 1.712 -3.270 5.486 1.00 0.00 C ATOM 1042 C LEU A 67 0.272 -3.191 5.983 1.00 0.00 C ATOM 1043 O LEU A 67 -0.346 -4.214 6.270 1.00 0.00 O ATOM 1044 CB LEU A 67 1.800 -2.759 4.046 1.00 0.00 C ATOM 1045 CG LEU A 67 3.199 -2.223 3.739 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.188 -3.374 3.570 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.145 -1.419 2.443 1.00 0.00 C ATOM 0 H LEU A 67 1.798 -5.239 4.801 1.00 0.00 H new ATOM 0 HA LEU A 67 2.346 -2.648 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.556 -3.566 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.063 -1.971 3.890 1.00 0.00 H new ATOM 0 HG LEU A 67 3.528 -1.594 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.178 -2.974 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.227 -3.958 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.866 -4.013 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.138 -1.031 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.810 -2.062 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.449 -0.588 2.559 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.265 -1.971 6.065 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.630 -1.743 6.500 1.00 0.00 C ATOM 1061 C HIS A 68 -2.337 -0.857 5.483 1.00 0.00 C ATOM 1062 O HIS A 68 -1.811 0.184 5.094 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.624 -1.097 7.885 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.000 -0.716 8.365 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.187 -1.253 7.932 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.286 0.261 9.274 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.178 -0.604 8.573 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -4.677 0.332 9.405 1.00 0.00 N ATOM 0 H HIS A 68 0.242 -1.118 5.830 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.167 -2.689 6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.175 -1.787 8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.995 -0.207 7.862 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.566 0.871 9.799 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.231 -0.806 8.439 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.205 0.963 10.007 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.527 -1.277 5.046 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.290 -0.544 4.054 1.00 0.00 C ATOM 1078 C LEU A 69 -5.686 -0.255 4.592 1.00 0.00 C ATOM 1079 O LEU A 69 -6.254 -1.068 5.318 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.360 -1.380 2.774 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.042 -0.611 1.642 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.095 0.443 1.077 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.418 -1.587 0.531 1.00 0.00 C ATOM 0 H LEU A 69 -3.980 -2.131 5.373 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.808 0.408 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.353 -1.664 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.906 -2.303 2.970 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.934 -0.120 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.592 0.984 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.816 1.142 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.200 -0.043 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.905 -1.045 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.518 -2.073 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.100 -2.341 0.924 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.245 0.894 4.206 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.585 1.289 4.596 1.00 0.00 C ATOM 1097 C ALA A 70 -8.361 1.657 3.340 1.00 0.00 C ATOM 1098 O ALA A 70 -7.790 2.219 2.408 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.508 2.473 5.556 1.00 0.00 C ATOM 0 H ALA A 70 -5.772 1.574 3.611 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.094 0.472 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.515 2.770 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.942 2.187 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.012 3.309 5.063 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.654 1.325 3.308 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.483 1.564 2.140 1.00 0.00 C ATOM 1107 C LEU A 71 -11.653 2.466 2.512 1.00 0.00 C ATOM 1108 O LEU A 71 -11.839 2.803 3.680 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.014 0.235 1.581 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.940 -0.637 0.915 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.041 0.215 0.020 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.088 -1.369 1.953 1.00 0.00 C ATOM 0 H LEU A 71 -10.146 0.887 4.087 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.878 2.052 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.475 -0.330 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.798 0.446 0.854 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.454 -1.382 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.285 -0.418 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.643 0.689 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.552 0.983 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.339 -1.976 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.591 -0.641 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.726 -2.012 2.559 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.443 2.850 1.507 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.625 3.667 1.708 1.00 0.00 C ATOM 1126 C ARG A 72 -14.735 2.823 2.322 1.00 0.00 C ATOM 1127 O ARG A 72 -14.632 1.599 2.375 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.078 4.239 0.364 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.406 3.097 -0.602 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.901 3.655 -1.932 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.178 4.353 -1.770 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.803 4.987 -2.771 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.238 5.042 -3.984 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -17.970 5.596 -2.548 1.00 0.00 N ATOM 0 H ARG A 72 -12.275 2.599 0.533 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.393 4.488 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.954 4.872 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.294 4.869 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.520 2.483 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.167 2.450 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.158 4.340 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.016 2.843 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.614 4.357 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.332 4.601 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.713 5.525 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.385 5.578 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.447 6.079 -3.309 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.811 3.479 2.763 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.975 2.786 3.281 1.00 0.00 C ATOM 1150 C LEU A 73 -17.960 2.538 2.145 1.00 0.00 C ATOM 1151 O LEU A 73 -17.799 3.077 1.051 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.625 3.628 4.378 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.660 3.833 5.547 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.324 4.727 6.591 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.311 2.489 6.184 1.00 0.00 C ATOM 0 H LEU A 73 -15.892 4.496 2.768 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.677 1.828 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.923 4.595 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.532 3.137 4.731 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.746 4.300 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.642 4.878 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.567 5.690 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.238 4.252 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.624 2.648 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.220 2.013 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.840 1.846 5.441 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.984 1.722 2.406 1.00 0.00 N ATOM 1168 CA ARG A 74 -20.002 1.428 1.416 1.00 0.00 C ATOM 1169 C ARG A 74 -20.776 2.700 1.081 1.00 0.00 C ATOM 1170 O ARG A 74 -21.225 2.873 -0.049 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.934 0.340 1.950 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.908 -0.094 0.855 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.694 -1.324 1.307 1.00 0.00 C ATOM 1174 NE ARG A 74 -23.520 -1.024 2.477 1.00 0.00 N ATOM 1175 CZ ARG A 74 -23.742 -1.891 3.473 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -23.173 -3.104 3.449 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -24.531 -1.544 4.497 1.00 0.00 N ATOM 0 H ARG A 74 -19.123 1.255 3.302 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.535 1.063 0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.351 -0.516 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.486 0.713 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.594 0.721 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.361 -0.319 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.327 -1.674 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -22.003 -2.133 1.544 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.951 -0.102 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.569 -3.369 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.344 -3.763 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.962 -0.620 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.701 -2.204 5.256 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.938 3.586 2.070 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.636 4.845 1.876 1.00 0.00 C ATOM 1193 C GLY A 75 -23.106 4.705 2.249 1.00 0.00 C ATOM 1194 O GLY A 75 -23.861 5.673 2.183 1.00 0.00 O ATOM 0 H GLY A 75 -20.589 3.445 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.173 5.621 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.547 5.160 0.836 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.506 3.498 2.653 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.875 3.217 3.034 1.00 0.00 C ATOM 1200 C GLY A 76 -25.095 1.714 3.051 1.00 0.00 C ATOM 1201 O GLY A 76 -25.149 1.142 1.941 1.00 0.00 O ATOM 0 H GLY A 76 -22.883 2.693 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.084 3.637 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.563 3.689 2.333 1.00 0.00 H new TER 1205 GLY A 76