USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -153:sc= -0.148 (180deg=-0.715) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.63) USER MOD Single : A 166 ASN : amide:sc= 0.437 K(o=0.44,f=-3.5!) USER MOD Single : A 168 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.49) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 182 THR OG1 : rot -52:sc= 1.2 USER MOD Single : A 185 ASN : amide:sc= -6.84! C(o=-6.8!,f=-6.5!) USER MOD Single : A 186 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.644) USER MOD Single : A 190 ASN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 195 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.67) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 198 ASN : amide:sc= 0.076 K(o=0.076,f=-1.7) USER MOD Single : A 205 SER OG : rot 172:sc= 1.04 USER MOD Single : A 206 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.3!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.5!) USER MOD Single : A 213 SER OG : rot -60:sc= -2.08 USER MOD Single : A 214 ASN : amide:sc= -0.709 K(o=-0.71,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -17.580 7.425 2.498 1.00 0.00 N ATOM 2 CA HIS A 153 -18.186 8.525 1.703 1.00 0.00 C ATOM 3 C HIS A 153 -17.569 8.603 0.310 1.00 0.00 C ATOM 4 O HIS A 153 -17.346 9.691 -0.220 1.00 0.00 O ATOM 5 CB HIS A 153 -17.972 9.842 2.450 1.00 0.00 C ATOM 6 CG HIS A 153 -18.852 9.999 3.650 1.00 0.00 C ATOM 7 ND1 HIS A 153 -20.213 10.205 3.562 1.00 0.00 N ATOM 8 CD2 HIS A 153 -18.560 9.983 4.972 1.00 0.00 C ATOM 9 CE1 HIS A 153 -20.721 10.308 4.778 1.00 0.00 C ATOM 10 NE2 HIS A 153 -19.739 10.176 5.651 1.00 0.00 N ATOM 0 HA HIS A 153 -19.252 8.332 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -16.930 9.908 2.763 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -18.152 10.672 1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -17.583 9.844 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -21.761 10.472 5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -19.839 10.212 6.665 1.00 0.00 H new ATOM 21 N MET A 154 -17.296 7.442 -0.277 1.00 0.00 N ATOM 22 CA MET A 154 -16.704 7.377 -1.608 1.00 0.00 C ATOM 23 C MET A 154 -15.325 8.027 -1.623 1.00 0.00 C ATOM 24 O MET A 154 -15.186 9.219 -1.356 1.00 0.00 O ATOM 25 CB MET A 154 -17.614 8.065 -2.628 1.00 0.00 C ATOM 26 CG MET A 154 -19.065 7.619 -2.548 1.00 0.00 C ATOM 27 SD MET A 154 -19.476 6.361 -3.773 1.00 0.00 S ATOM 28 CE MET A 154 -19.301 7.297 -5.290 1.00 0.00 C ATOM 0 H MET A 154 -17.476 6.533 0.149 1.00 0.00 H new ATOM 0 HA MET A 154 -16.594 6.327 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 154 -17.565 9.143 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 154 -17.236 7.867 -3.631 1.00 0.00 H new ATOM 0 HG2 MET A 154 -19.266 7.228 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 154 -19.715 8.483 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 154 -19.944 6.868 -6.058 1.00 0.00 H new ATOM 0 HE2 MET A 154 -19.588 8.334 -5.113 1.00 0.00 H new ATOM 0 HE3 MET A 154 -18.264 7.260 -5.623 1.00 0.00 H new ATOM 38 N GLU A 155 -14.307 7.232 -1.939 1.00 0.00 N ATOM 39 CA GLU A 155 -12.937 7.728 -1.989 1.00 0.00 C ATOM 40 C GLU A 155 -12.043 6.782 -2.783 1.00 0.00 C ATOM 41 O GLU A 155 -11.726 5.682 -2.329 1.00 0.00 O ATOM 42 CB GLU A 155 -12.384 7.903 -0.574 1.00 0.00 C ATOM 43 CG GLU A 155 -12.651 9.276 0.020 1.00 0.00 C ATOM 44 CD GLU A 155 -13.795 9.268 1.015 1.00 0.00 C ATOM 45 OE1 GLU A 155 -13.844 8.345 1.855 1.00 0.00 O ATOM 46 OE2 GLU A 155 -14.640 10.186 0.954 1.00 0.00 O ATOM 0 H GLU A 155 -14.406 6.242 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 155 -12.946 8.696 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.823 7.145 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -11.309 7.726 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -11.748 9.636 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -12.878 9.977 -0.783 1.00 0.00 H new ATOM 53 N THR A 156 -11.640 7.216 -3.973 1.00 0.00 N ATOM 54 CA THR A 156 -10.783 6.409 -4.832 1.00 0.00 C ATOM 55 C THR A 156 -9.311 6.657 -4.522 1.00 0.00 C ATOM 56 O THR A 156 -8.757 7.696 -4.878 1.00 0.00 O ATOM 57 CB THR A 156 -11.066 6.721 -6.294 1.00 0.00 C ATOM 58 OG1 THR A 156 -12.403 7.156 -6.469 1.00 0.00 O ATOM 59 CG2 THR A 156 -10.841 5.541 -7.214 1.00 0.00 C ATOM 0 H THR A 156 -11.894 8.123 -4.364 1.00 0.00 H new ATOM 0 HA THR A 156 -11.001 5.358 -4.640 1.00 0.00 H new ATOM 0 HB THR A 156 -10.360 7.507 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 156 -12.562 7.352 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.061 5.833 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 156 -9.803 5.217 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.497 4.721 -6.921 1.00 0.00 H new ATOM 67 N LYS A 157 -8.683 5.695 -3.855 1.00 0.00 N ATOM 68 CA LYS A 157 -7.273 5.807 -3.496 1.00 0.00 C ATOM 69 C LYS A 157 -6.529 4.510 -3.800 1.00 0.00 C ATOM 70 O LYS A 157 -6.734 3.496 -3.136 1.00 0.00 O ATOM 71 CB LYS A 157 -7.128 6.157 -2.014 1.00 0.00 C ATOM 72 CG LYS A 157 -5.840 6.894 -1.685 1.00 0.00 C ATOM 73 CD LYS A 157 -5.894 8.341 -2.151 1.00 0.00 C ATOM 74 CE LYS A 157 -4.651 9.106 -1.729 1.00 0.00 C ATOM 75 NZ LYS A 157 -4.941 10.547 -1.487 1.00 0.00 N ATOM 0 H LYS A 157 -9.128 4.829 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 157 -6.834 6.605 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -7.976 6.771 -1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -7.172 5.240 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.666 6.863 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.999 6.389 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.991 8.372 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.779 8.825 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.241 8.661 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.888 9.014 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -4.067 11.034 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.308 10.978 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.650 10.636 -0.731 1.00 0.00 H new ATOM 89 N PHE A 158 -5.664 4.554 -4.809 1.00 0.00 N ATOM 90 CA PHE A 158 -4.889 3.383 -5.201 1.00 0.00 C ATOM 91 C PHE A 158 -3.433 3.756 -5.461 1.00 0.00 C ATOM 92 O PHE A 158 -3.146 4.755 -6.121 1.00 0.00 O ATOM 93 CB PHE A 158 -5.494 2.740 -6.450 1.00 0.00 C ATOM 94 CG PHE A 158 -6.897 2.243 -6.251 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.976 3.101 -6.393 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.137 0.919 -5.923 1.00 0.00 C ATOM 97 CE1 PHE A 158 -9.269 2.647 -6.211 1.00 0.00 C ATOM 98 CE2 PHE A 158 -8.428 0.458 -5.738 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.494 1.324 -5.882 1.00 0.00 C ATOM 0 H PHE A 158 -5.483 5.387 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.920 2.666 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.487 3.467 -7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.863 1.907 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.805 4.136 -6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -6.306 0.238 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -10.102 3.325 -6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -8.602 -0.577 -5.482 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.503 0.967 -5.738 1.00 0.00 H new ATOM 109 N VAL A 159 -2.517 2.945 -4.938 1.00 0.00 N ATOM 110 CA VAL A 159 -1.092 3.191 -5.115 1.00 0.00 C ATOM 111 C VAL A 159 -0.417 2.026 -5.829 1.00 0.00 C ATOM 112 O VAL A 159 -0.886 0.890 -5.759 1.00 0.00 O ATOM 113 CB VAL A 159 -0.389 3.423 -3.764 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.854 4.728 -3.139 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.642 2.256 -2.823 1.00 0.00 C ATOM 0 H VAL A 159 -2.737 2.114 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.001 4.090 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 159 0.684 3.492 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.347 4.876 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.618 5.556 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.931 4.690 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.138 2.438 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.713 2.153 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.257 1.339 -3.269 1.00 0.00 H new ATOM 125 N GLN A 160 0.685 2.313 -6.509 1.00 0.00 N ATOM 126 CA GLN A 160 1.425 1.289 -7.235 1.00 0.00 C ATOM 127 C GLN A 160 2.806 1.083 -6.623 1.00 0.00 C ATOM 128 O GLN A 160 3.658 1.970 -6.673 1.00 0.00 O ATOM 129 CB GLN A 160 1.557 1.670 -8.710 1.00 0.00 C ATOM 130 CG GLN A 160 1.461 0.483 -9.656 1.00 0.00 C ATOM 131 CD GLN A 160 2.371 0.623 -10.861 1.00 0.00 C ATOM 132 OE1 GLN A 160 1.906 0.700 -11.998 1.00 0.00 O ATOM 133 NE2 GLN A 160 3.677 0.658 -10.617 1.00 0.00 N ATOM 0 H GLN A 160 1.087 3.248 -6.573 1.00 0.00 H new ATOM 0 HA GLN A 160 0.870 0.354 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.777 2.389 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.513 2.170 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.717 -0.429 -9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.430 0.375 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.019 0.591 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.338 0.752 -11.388 1.00 0.00 H new ATOM 142 N ALA A 161 3.018 -0.092 -6.041 1.00 0.00 N ATOM 143 CA ALA A 161 4.289 -0.420 -5.412 1.00 0.00 C ATOM 144 C ALA A 161 5.415 -0.496 -6.436 1.00 0.00 C ATOM 145 O ALA A 161 5.178 -0.715 -7.622 1.00 0.00 O ATOM 146 CB ALA A 161 4.175 -1.737 -4.663 1.00 0.00 C ATOM 0 H ALA A 161 2.321 -0.836 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 161 4.530 0.376 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.131 -1.974 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.406 -1.653 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.906 -2.530 -5.361 1.00 0.00 H new ATOM 152 N LEU A 162 6.647 -0.328 -5.964 1.00 0.00 N ATOM 153 CA LEU A 162 7.815 -0.394 -6.834 1.00 0.00 C ATOM 154 C LEU A 162 8.832 -1.399 -6.298 1.00 0.00 C ATOM 155 O LEU A 162 10.014 -1.345 -6.643 1.00 0.00 O ATOM 156 CB LEU A 162 8.467 0.983 -6.974 1.00 0.00 C ATOM 157 CG LEU A 162 8.569 1.778 -5.674 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.011 2.176 -5.397 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.676 3.007 -5.729 1.00 0.00 C ATOM 0 H LEU A 162 6.861 -0.145 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 162 7.481 -0.724 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.468 0.855 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.898 1.567 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 162 8.229 1.142 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.060 2.741 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.625 1.280 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.382 2.792 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.762 3.561 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 162 7.984 3.644 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.641 2.698 -5.874 1.00 0.00 H new ATOM 171 N PHE A 163 8.364 -2.316 -5.457 1.00 0.00 N ATOM 172 CA PHE A 163 9.227 -3.336 -4.871 1.00 0.00 C ATOM 173 C PHE A 163 8.397 -4.391 -4.145 1.00 0.00 C ATOM 174 O PHE A 163 7.421 -4.067 -3.467 1.00 0.00 O ATOM 175 CB PHE A 163 10.224 -2.696 -3.902 1.00 0.00 C ATOM 176 CG PHE A 163 11.644 -3.135 -4.128 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.432 -2.512 -5.082 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.190 -4.169 -3.386 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.737 -2.912 -5.293 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.494 -4.575 -3.591 1.00 0.00 C ATOM 181 CZ PHE A 163 14.269 -3.945 -4.546 1.00 0.00 C ATOM 0 H PHE A 163 7.388 -2.374 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 163 9.778 -3.821 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.167 -1.612 -3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.934 -2.941 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.021 -1.703 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.589 -4.664 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.340 -2.418 -6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.907 -5.383 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.289 -4.260 -4.708 1.00 0.00 H new ATOM 191 N ASP A 164 8.788 -5.653 -4.293 1.00 0.00 N ATOM 192 CA ASP A 164 8.077 -6.752 -3.649 1.00 0.00 C ATOM 193 C ASP A 164 8.215 -6.675 -2.131 1.00 0.00 C ATOM 194 O ASP A 164 9.294 -6.384 -1.613 1.00 0.00 O ATOM 195 CB ASP A 164 8.607 -8.095 -4.155 1.00 0.00 C ATOM 196 CG ASP A 164 8.507 -8.226 -5.661 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.576 -7.637 -6.248 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.362 -8.918 -6.254 1.00 0.00 O ATOM 0 H ASP A 164 9.592 -5.940 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 164 7.020 -6.667 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.648 -8.209 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 164 8.047 -8.904 -3.685 1.00 0.00 H new ATOM 203 N PHE A 165 7.120 -6.935 -1.425 1.00 0.00 N ATOM 204 CA PHE A 165 7.126 -6.892 0.033 1.00 0.00 C ATOM 205 C PHE A 165 6.615 -8.205 0.618 1.00 0.00 C ATOM 206 O PHE A 165 5.416 -8.481 0.593 1.00 0.00 O ATOM 207 CB PHE A 165 6.271 -5.729 0.534 1.00 0.00 C ATOM 208 CG PHE A 165 6.755 -5.141 1.829 1.00 0.00 C ATOM 209 CD1 PHE A 165 7.985 -4.506 1.898 1.00 0.00 C ATOM 210 CD2 PHE A 165 5.981 -5.221 2.974 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.434 -3.965 3.088 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.425 -4.681 4.166 1.00 0.00 C ATOM 213 CZ PHE A 165 7.653 -4.053 4.223 1.00 0.00 C ATOM 0 H PHE A 165 6.219 -7.177 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 165 8.154 -6.744 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.254 -4.948 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.244 -6.072 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.599 -4.433 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.019 -5.711 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.395 -3.474 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.812 -4.750 5.052 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.002 -3.631 5.154 1.00 0.00 H new ATOM 223 N ASN A 166 7.533 -9.008 1.147 1.00 0.00 N ATOM 224 CA ASN A 166 7.179 -10.289 1.740 1.00 0.00 C ATOM 225 C ASN A 166 7.342 -10.247 3.258 1.00 0.00 C ATOM 226 O ASN A 166 8.324 -10.753 3.800 1.00 0.00 O ATOM 227 CB ASN A 166 8.044 -11.410 1.155 1.00 0.00 C ATOM 228 CG ASN A 166 9.454 -10.955 0.820 1.00 0.00 C ATOM 229 OD1 ASN A 166 9.983 -10.030 1.437 1.00 0.00 O ATOM 230 ND2 ASN A 166 10.067 -11.604 -0.163 1.00 0.00 N ATOM 0 H ASN A 166 8.529 -8.792 1.176 1.00 0.00 H new ATOM 0 HA ASN A 166 6.134 -10.490 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.093 -12.234 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 166 7.568 -11.796 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 166 11.015 -11.342 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 166 9.590 -12.365 -0.647 1.00 0.00 H new ATOM 237 N PRO A 167 6.375 -9.638 3.966 1.00 0.00 N ATOM 238 CA PRO A 167 6.416 -9.531 5.425 1.00 0.00 C ATOM 239 C PRO A 167 6.082 -10.848 6.114 1.00 0.00 C ATOM 240 O PRO A 167 5.028 -11.435 5.877 1.00 0.00 O ATOM 241 CB PRO A 167 5.345 -8.483 5.729 1.00 0.00 C ATOM 242 CG PRO A 167 4.376 -8.590 4.603 1.00 0.00 C ATOM 243 CD PRO A 167 5.167 -9.007 3.398 1.00 0.00 C ATOM 0 HA PRO A 167 7.409 -9.267 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.862 -8.678 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.775 -7.483 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.599 -9.320 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.877 -7.637 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.607 -9.705 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.420 -8.152 2.771 1.00 0.00 H new ATOM 251 N GLN A 168 6.990 -11.306 6.972 1.00 0.00 N ATOM 252 CA GLN A 168 6.791 -12.553 7.700 1.00 0.00 C ATOM 253 C GLN A 168 6.165 -12.297 9.069 1.00 0.00 C ATOM 254 O GLN A 168 6.206 -13.157 9.950 1.00 0.00 O ATOM 255 CB GLN A 168 8.123 -13.287 7.865 1.00 0.00 C ATOM 256 CG GLN A 168 9.210 -12.441 8.506 1.00 0.00 C ATOM 257 CD GLN A 168 10.125 -11.796 7.484 1.00 0.00 C ATOM 258 OE1 GLN A 168 10.764 -12.483 6.685 1.00 0.00 O ATOM 259 NE2 GLN A 168 10.195 -10.471 7.503 1.00 0.00 N ATOM 0 H GLN A 168 7.869 -10.832 7.179 1.00 0.00 H new ATOM 0 HA GLN A 168 6.107 -13.175 7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 168 7.964 -14.179 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.466 -13.624 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.749 -11.665 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 168 9.802 -13.064 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 168 9.648 -9.941 8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.795 -9.982 6.839 1.00 0.00 H new ATOM 268 N GLU A 169 5.587 -11.111 9.244 1.00 0.00 N ATOM 269 CA GLU A 169 4.954 -10.748 10.506 1.00 0.00 C ATOM 270 C GLU A 169 3.565 -10.165 10.267 1.00 0.00 C ATOM 271 O GLU A 169 3.163 -9.943 9.124 1.00 0.00 O ATOM 272 CB GLU A 169 5.820 -9.740 11.264 1.00 0.00 C ATOM 273 CG GLU A 169 7.270 -10.170 11.407 1.00 0.00 C ATOM 274 CD GLU A 169 8.007 -9.391 12.480 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.546 -9.396 13.640 1.00 0.00 O ATOM 276 OE2 GLU A 169 9.044 -8.773 12.158 1.00 0.00 O ATOM 0 H GLU A 169 5.545 -10.386 8.527 1.00 0.00 H new ATOM 0 HA GLU A 169 4.852 -11.652 11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.783 -8.781 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.397 -9.584 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.308 -11.233 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.780 -10.038 10.453 1.00 0.00 H new ATOM 283 N SER A 170 2.836 -9.920 11.350 1.00 0.00 N ATOM 284 CA SER A 170 1.491 -9.364 11.255 1.00 0.00 C ATOM 285 C SER A 170 1.529 -7.840 11.287 1.00 0.00 C ATOM 286 O SER A 170 2.378 -7.242 11.947 1.00 0.00 O ATOM 287 CB SER A 170 0.617 -9.889 12.395 1.00 0.00 C ATOM 288 OG SER A 170 1.106 -11.126 12.886 1.00 0.00 O ATOM 0 H SER A 170 3.153 -10.097 12.303 1.00 0.00 H new ATOM 0 HA SER A 170 1.061 -9.679 10.304 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.591 -9.158 13.203 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.408 -10.013 12.044 1.00 0.00 H new ATOM 0 HG SER A 170 0.531 -11.439 13.615 1.00 0.00 H new ATOM 294 N GLY A 171 0.600 -7.218 10.567 1.00 0.00 N ATOM 295 CA GLY A 171 0.541 -5.770 10.524 1.00 0.00 C ATOM 296 C GLY A 171 0.945 -5.216 9.173 1.00 0.00 C ATOM 297 O GLY A 171 0.404 -4.206 8.721 1.00 0.00 O ATOM 0 H GLY A 171 -0.113 -7.692 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.472 -5.443 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.196 -5.359 11.293 1.00 0.00 H new ATOM 301 N GLU A 172 1.895 -5.880 8.524 1.00 0.00 N ATOM 302 CA GLU A 172 2.371 -5.449 7.215 1.00 0.00 C ATOM 303 C GLU A 172 1.618 -6.169 6.102 1.00 0.00 C ATOM 304 O GLU A 172 1.405 -7.380 6.166 1.00 0.00 O ATOM 305 CB GLU A 172 3.872 -5.711 7.082 1.00 0.00 C ATOM 306 CG GLU A 172 4.709 -4.987 8.123 1.00 0.00 C ATOM 307 CD GLU A 172 5.836 -5.843 8.665 1.00 0.00 C ATOM 308 OE1 GLU A 172 5.625 -7.064 8.832 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.928 -5.298 8.925 1.00 0.00 O ATOM 0 H GLU A 172 2.351 -6.719 8.883 1.00 0.00 H new ATOM 0 HA GLU A 172 2.188 -4.379 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.054 -6.783 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.199 -5.406 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.126 -4.081 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.067 -4.675 8.947 1.00 0.00 H new ATOM 316 N LEU A 173 1.208 -5.418 5.082 1.00 0.00 N ATOM 317 CA LEU A 173 0.474 -5.995 3.963 1.00 0.00 C ATOM 318 C LEU A 173 1.428 -6.656 2.968 1.00 0.00 C ATOM 319 O LEU A 173 2.537 -6.172 2.743 1.00 0.00 O ATOM 320 CB LEU A 173 -0.385 -4.917 3.275 1.00 0.00 C ATOM 321 CG LEU A 173 -0.234 -4.789 1.757 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.039 -5.870 1.052 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.672 -3.409 1.295 1.00 0.00 C ATOM 0 H LEU A 173 1.372 -4.414 5.009 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.191 -6.769 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.432 -5.122 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.146 -3.953 3.724 1.00 0.00 H new ATOM 0 HG LEU A 173 0.817 -4.920 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.922 -5.766 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.681 -6.851 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.092 -5.768 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.558 -3.334 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.717 -3.251 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.055 -2.651 1.778 1.00 0.00 H new ATOM 335 N ALA A 174 0.986 -7.757 2.371 1.00 0.00 N ATOM 336 CA ALA A 174 1.799 -8.475 1.395 1.00 0.00 C ATOM 337 C ALA A 174 1.455 -8.027 -0.022 1.00 0.00 C ATOM 338 O ALA A 174 0.372 -8.318 -0.529 1.00 0.00 O ATOM 339 CB ALA A 174 1.599 -9.975 1.543 1.00 0.00 C ATOM 0 H ALA A 174 0.071 -8.172 2.545 1.00 0.00 H new ATOM 0 HA ALA A 174 2.848 -8.245 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.212 -10.498 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.892 -10.284 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.549 -10.220 1.380 1.00 0.00 H new ATOM 345 N PHE A 175 2.380 -7.313 -0.652 1.00 0.00 N ATOM 346 CA PHE A 175 2.167 -6.819 -2.007 1.00 0.00 C ATOM 347 C PHE A 175 3.404 -7.032 -2.871 1.00 0.00 C ATOM 348 O PHE A 175 4.504 -7.240 -2.361 1.00 0.00 O ATOM 349 CB PHE A 175 1.801 -5.334 -1.977 1.00 0.00 C ATOM 350 CG PHE A 175 2.805 -4.479 -1.257 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.029 -4.641 0.101 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.521 -3.507 -1.937 1.00 0.00 C ATOM 353 CE1 PHE A 175 3.952 -3.855 0.765 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.443 -2.717 -1.280 1.00 0.00 C ATOM 355 CZ PHE A 175 4.659 -2.890 0.074 1.00 0.00 C ATOM 0 H PHE A 175 3.283 -7.064 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 175 1.343 -7.383 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.698 -4.974 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 175 0.829 -5.218 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.476 -5.391 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.356 -3.366 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.120 -3.995 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.995 -1.965 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.379 -2.272 0.591 1.00 0.00 H new ATOM 365 N LYS A 176 3.213 -6.978 -4.186 1.00 0.00 N ATOM 366 CA LYS A 176 4.310 -7.161 -5.128 1.00 0.00 C ATOM 367 C LYS A 176 4.654 -5.847 -5.823 1.00 0.00 C ATOM 368 O LYS A 176 4.215 -4.777 -5.402 1.00 0.00 O ATOM 369 CB LYS A 176 3.945 -8.228 -6.165 1.00 0.00 C ATOM 370 CG LYS A 176 4.837 -9.457 -6.112 1.00 0.00 C ATOM 371 CD LYS A 176 4.799 -10.229 -7.420 1.00 0.00 C ATOM 372 CE LYS A 176 3.489 -10.983 -7.583 1.00 0.00 C ATOM 373 NZ LYS A 176 3.405 -12.155 -6.669 1.00 0.00 N ATOM 0 H LYS A 176 2.307 -6.809 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 176 5.186 -7.493 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 176 2.910 -8.533 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.003 -7.790 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 176 5.862 -9.155 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 176 4.517 -10.105 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 176 4.930 -9.540 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 176 5.631 -10.932 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 176 2.655 -10.309 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 176 3.390 -11.320 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 2.592 -12.746 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 4.278 -12.715 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 3.286 -11.824 -5.690 1.00 0.00 H new ATOM 387 N ARG A 177 5.442 -5.934 -6.889 1.00 0.00 N ATOM 388 CA ARG A 177 5.846 -4.751 -7.641 1.00 0.00 C ATOM 389 C ARG A 177 4.729 -4.280 -8.566 1.00 0.00 C ATOM 390 O ARG A 177 4.086 -5.082 -9.243 1.00 0.00 O ATOM 391 CB ARG A 177 7.108 -5.043 -8.452 1.00 0.00 C ATOM 392 CG ARG A 177 8.295 -4.179 -8.061 1.00 0.00 C ATOM 393 CD ARG A 177 9.358 -4.167 -9.148 1.00 0.00 C ATOM 394 NE ARG A 177 10.530 -3.384 -8.759 1.00 0.00 N ATOM 395 CZ ARG A 177 11.559 -3.141 -9.566 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.565 -3.615 -10.805 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.585 -2.420 -9.132 1.00 0.00 N ATOM 0 H ARG A 177 5.814 -6.812 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 177 6.057 -3.955 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.376 -6.092 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.893 -4.893 -9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 177 7.957 -3.160 -7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.727 -4.551 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 177 9.662 -5.190 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 177 8.935 -3.756 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 177 10.560 -3.002 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.778 -4.169 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 177 12.357 -3.426 -11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.584 -2.053 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 177 13.375 -2.233 -9.750 1.00 0.00 H new ATOM 411 N GLY A 178 4.508 -2.970 -8.589 1.00 0.00 N ATOM 412 CA GLY A 178 3.473 -2.403 -9.431 1.00 0.00 C ATOM 413 C GLY A 178 2.086 -2.890 -9.063 1.00 0.00 C ATOM 414 O GLY A 178 1.146 -2.759 -9.847 1.00 0.00 O ATOM 0 H GLY A 178 5.030 -2.289 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.504 -1.316 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.678 -2.656 -10.471 1.00 0.00 H new ATOM 418 N ASP A 179 1.955 -3.454 -7.866 1.00 0.00 N ATOM 419 CA ASP A 179 0.675 -3.960 -7.398 1.00 0.00 C ATOM 420 C ASP A 179 -0.212 -2.818 -6.912 1.00 0.00 C ATOM 421 O ASP A 179 0.132 -2.113 -5.965 1.00 0.00 O ATOM 422 CB ASP A 179 0.889 -4.974 -6.273 1.00 0.00 C ATOM 423 CG ASP A 179 -0.400 -5.643 -5.840 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.479 -5.194 -6.280 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.331 -6.615 -5.059 1.00 0.00 O ATOM 0 H ASP A 179 2.722 -3.571 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 179 0.175 -4.454 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.596 -5.735 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.339 -4.472 -5.417 1.00 0.00 H new ATOM 430 N VAL A 180 -1.356 -2.643 -7.566 1.00 0.00 N ATOM 431 CA VAL A 180 -2.289 -1.587 -7.194 1.00 0.00 C ATOM 432 C VAL A 180 -2.938 -1.888 -5.848 1.00 0.00 C ATOM 433 O VAL A 180 -3.869 -2.688 -5.760 1.00 0.00 O ATOM 434 CB VAL A 180 -3.391 -1.409 -8.258 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.278 -0.222 -7.918 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.778 -1.244 -9.640 1.00 0.00 C ATOM 0 H VAL A 180 -1.658 -3.217 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.716 -0.663 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.010 -2.306 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.049 -0.114 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.748 -0.385 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.674 0.685 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.571 -1.120 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.133 -0.365 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.190 -2.128 -9.885 1.00 0.00 H new ATOM 446 N ILE A 181 -2.433 -1.245 -4.799 1.00 0.00 N ATOM 447 CA ILE A 181 -2.961 -1.451 -3.456 1.00 0.00 C ATOM 448 C ILE A 181 -3.911 -0.328 -3.054 1.00 0.00 C ATOM 449 O ILE A 181 -3.547 0.847 -3.081 1.00 0.00 O ATOM 450 CB ILE A 181 -1.824 -1.548 -2.416 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.835 -2.647 -2.810 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.390 -1.813 -1.027 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.607 -2.194 -2.808 1.00 0.00 C ATOM 0 H ILE A 181 -1.662 -0.580 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.510 -2.392 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.294 -0.596 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.944 -3.486 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -1.090 -3.014 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.574 -1.878 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.058 -0.999 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.944 -2.752 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.250 -3.025 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.732 -1.375 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.880 -1.854 -1.809 1.00 0.00 H new ATOM 465 N THR A 182 -5.130 -0.702 -2.676 1.00 0.00 N ATOM 466 CA THR A 182 -6.132 0.270 -2.259 1.00 0.00 C ATOM 467 C THR A 182 -5.791 0.829 -0.882 1.00 0.00 C ATOM 468 O THR A 182 -5.958 0.153 0.133 1.00 0.00 O ATOM 469 CB THR A 182 -7.520 -0.370 -2.234 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.705 -1.210 -3.362 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.646 0.640 -2.224 1.00 0.00 C ATOM 0 H THR A 182 -5.446 -1.671 -2.650 1.00 0.00 H new ATOM 0 HA THR A 182 -6.136 1.088 -2.979 1.00 0.00 H new ATOM 0 HB THR A 182 -7.558 -0.940 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.487 -0.714 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.603 0.118 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.561 1.271 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.587 1.259 -3.119 1.00 0.00 H new ATOM 479 N LEU A 183 -5.303 2.065 -0.854 1.00 0.00 N ATOM 480 CA LEU A 183 -4.926 2.715 0.397 1.00 0.00 C ATOM 481 C LEU A 183 -6.049 2.634 1.426 1.00 0.00 C ATOM 482 O LEU A 183 -7.168 3.081 1.177 1.00 0.00 O ATOM 483 CB LEU A 183 -4.560 4.178 0.147 1.00 0.00 C ATOM 484 CG LEU A 183 -3.950 4.901 1.350 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.656 4.226 1.779 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.708 6.364 1.022 1.00 0.00 C ATOM 0 H LEU A 183 -5.159 2.638 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 183 -4.059 2.188 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.855 4.225 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.456 4.714 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.655 4.847 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.237 4.754 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.859 3.191 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.943 4.248 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.274 6.864 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.022 6.439 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.654 6.840 0.764 1.00 0.00 H new ATOM 498 N ILE A 184 -5.734 2.073 2.589 1.00 0.00 N ATOM 499 CA ILE A 184 -6.710 1.947 3.664 1.00 0.00 C ATOM 500 C ILE A 184 -6.679 3.180 4.561 1.00 0.00 C ATOM 501 O ILE A 184 -7.706 3.821 4.789 1.00 0.00 O ATOM 502 CB ILE A 184 -6.446 0.696 4.528 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.338 -0.555 3.649 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.546 0.522 5.566 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.616 -1.701 4.320 1.00 0.00 C ATOM 0 H ILE A 184 -4.811 1.699 2.810 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.690 1.851 3.197 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.498 0.834 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.340 -0.881 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.817 -0.298 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.343 -0.365 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.577 1.398 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.506 0.408 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.576 -2.553 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.602 -1.393 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.148 -1.985 5.228 1.00 0.00 H new ATOM 517 N ASN A 185 -5.492 3.510 5.060 1.00 0.00 N ATOM 518 CA ASN A 185 -5.314 4.669 5.929 1.00 0.00 C ATOM 519 C ASN A 185 -3.872 5.162 5.882 1.00 0.00 C ATOM 520 O ASN A 185 -2.983 4.467 5.391 1.00 0.00 O ATOM 521 CB ASN A 185 -5.689 4.331 7.377 1.00 0.00 C ATOM 522 CG ASN A 185 -6.926 3.460 7.478 1.00 0.00 C ATOM 523 OD1 ASN A 185 -8.045 3.918 7.243 1.00 0.00 O ATOM 524 ND2 ASN A 185 -6.730 2.197 7.834 1.00 0.00 N ATOM 0 H ASN A 185 -4.635 2.988 4.876 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.974 5.457 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -4.852 3.821 7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -5.856 5.256 7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -7.524 1.563 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.785 1.860 8.019 1.00 0.00 H new ATOM 531 N LYS A 186 -3.647 6.365 6.400 1.00 0.00 N ATOM 532 CA LYS A 186 -2.311 6.951 6.426 1.00 0.00 C ATOM 533 C LYS A 186 -1.946 7.391 7.840 1.00 0.00 C ATOM 534 O LYS A 186 -1.518 8.525 8.060 1.00 0.00 O ATOM 535 CB LYS A 186 -2.236 8.146 5.472 1.00 0.00 C ATOM 536 CG LYS A 186 -2.040 7.752 4.018 1.00 0.00 C ATOM 537 CD LYS A 186 -2.420 8.885 3.079 1.00 0.00 C ATOM 538 CE LYS A 186 -3.922 9.119 3.066 1.00 0.00 C ATOM 539 NZ LYS A 186 -4.375 9.750 1.795 1.00 0.00 N ATOM 0 H LYS A 186 -4.373 6.954 6.808 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.598 6.193 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.152 8.730 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.414 8.794 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.999 7.474 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.644 6.873 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.911 9.799 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -2.078 8.653 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.439 8.169 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -4.197 9.757 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -5.039 10.522 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -3.553 10.131 1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -4.850 9.038 1.204 1.00 0.00 H new ATOM 553 N ASP A 187 -2.120 6.486 8.797 1.00 0.00 N ATOM 554 CA ASP A 187 -1.812 6.778 10.194 1.00 0.00 C ATOM 555 C ASP A 187 -0.371 7.254 10.357 1.00 0.00 C ATOM 556 O ASP A 187 -0.055 7.989 11.294 1.00 0.00 O ATOM 557 CB ASP A 187 -2.053 5.540 11.060 1.00 0.00 C ATOM 558 CG ASP A 187 -3.499 5.415 11.500 1.00 0.00 C ATOM 559 OD1 ASP A 187 -3.991 6.331 12.191 1.00 0.00 O ATOM 560 OD2 ASP A 187 -4.139 4.399 11.152 1.00 0.00 O ATOM 0 H ASP A 187 -2.473 5.543 8.632 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.474 7.580 10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.767 4.648 10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.411 5.585 11.940 1.00 0.00 H new ATOM 565 N ASP A 188 0.499 6.833 9.445 1.00 0.00 N ATOM 566 CA ASP A 188 1.904 7.221 9.495 1.00 0.00 C ATOM 567 C ASP A 188 2.331 7.876 8.181 1.00 0.00 C ATOM 568 O ASP A 188 2.174 7.289 7.113 1.00 0.00 O ATOM 569 CB ASP A 188 2.780 6.000 9.775 1.00 0.00 C ATOM 570 CG ASP A 188 4.232 6.369 10.004 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.989 6.438 9.014 1.00 0.00 O ATOM 572 OD2 ASP A 188 4.611 6.588 11.174 1.00 0.00 O ATOM 0 H ASP A 188 0.256 6.224 8.663 1.00 0.00 H new ATOM 0 HA ASP A 188 2.030 7.943 10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.399 5.476 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.712 5.308 8.936 1.00 0.00 H new ATOM 577 N PRO A 189 2.882 9.103 8.240 1.00 0.00 N ATOM 578 CA PRO A 189 3.326 9.828 7.044 1.00 0.00 C ATOM 579 C PRO A 189 4.219 8.983 6.140 1.00 0.00 C ATOM 580 O PRO A 189 4.323 9.242 4.941 1.00 0.00 O ATOM 581 CB PRO A 189 4.107 11.029 7.603 1.00 0.00 C ATOM 582 CG PRO A 189 4.270 10.763 9.065 1.00 0.00 C ATOM 583 CD PRO A 189 3.120 9.883 9.459 1.00 0.00 C ATOM 0 HA PRO A 189 2.481 10.113 6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.076 11.128 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.567 11.960 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.223 10.274 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.262 11.693 9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.370 9.245 10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.244 10.465 9.746 1.00 0.00 H new ATOM 591 N ASN A 190 4.865 7.975 6.719 1.00 0.00 N ATOM 592 CA ASN A 190 5.748 7.100 5.955 1.00 0.00 C ATOM 593 C ASN A 190 5.117 5.734 5.734 1.00 0.00 C ATOM 594 O ASN A 190 5.242 5.147 4.660 1.00 0.00 O ATOM 595 CB ASN A 190 7.082 6.928 6.678 1.00 0.00 C ATOM 596 CG ASN A 190 8.058 8.036 6.353 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.404 8.850 7.209 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.506 8.070 5.105 1.00 0.00 N ATOM 0 H ASN A 190 4.794 7.745 7.710 1.00 0.00 H new ATOM 0 HA ASN A 190 5.915 7.568 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.909 6.903 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.520 5.969 6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.166 8.793 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.190 7.373 4.431 1.00 0.00 H new ATOM 605 N TRP A 191 4.450 5.229 6.763 1.00 0.00 N ATOM 606 CA TRP A 191 3.812 3.925 6.687 1.00 0.00 C ATOM 607 C TRP A 191 2.326 4.054 6.380 1.00 0.00 C ATOM 608 O TRP A 191 1.544 4.506 7.217 1.00 0.00 O ATOM 609 CB TRP A 191 4.021 3.166 7.998 1.00 0.00 C ATOM 610 CG TRP A 191 5.339 2.454 8.061 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.565 3.021 8.258 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.562 1.047 7.924 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.538 2.052 8.251 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.949 0.831 8.049 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.726 -0.054 7.710 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.515 -0.438 7.964 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.290 -1.311 7.626 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.672 -1.496 7.755 1.00 0.00 C ATOM 0 H TRP A 191 4.338 5.703 7.659 1.00 0.00 H new ATOM 0 HA TRP A 191 4.273 3.366 5.872 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.952 3.866 8.831 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.217 2.441 8.124 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.744 4.077 8.399 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.537 2.215 8.376 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.658 0.077 7.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.581 -0.583 8.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.654 -2.167 7.458 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.081 -2.493 7.688 1.00 0.00 H new ATOM 629 N TRP A 192 1.948 3.657 5.171 1.00 0.00 N ATOM 630 CA TRP A 192 0.558 3.728 4.742 1.00 0.00 C ATOM 631 C TRP A 192 -0.067 2.338 4.679 1.00 0.00 C ATOM 632 O TRP A 192 0.583 1.372 4.280 1.00 0.00 O ATOM 633 CB TRP A 192 0.461 4.393 3.367 1.00 0.00 C ATOM 634 CG TRP A 192 0.811 5.849 3.377 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.248 6.581 4.441 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.749 6.751 2.266 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.465 7.884 4.061 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.165 8.012 2.731 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.384 6.614 0.924 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.227 9.129 1.900 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.445 7.724 0.100 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.864 8.968 0.591 1.00 0.00 C ATOM 0 H TRP A 192 2.587 3.282 4.470 1.00 0.00 H new ATOM 0 HA TRP A 192 0.012 4.324 5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.124 3.874 2.674 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.554 4.275 2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.401 6.193 5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.795 8.633 4.670 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.060 5.659 0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.550 10.088 2.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.165 7.630 -0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.901 9.816 -0.077 1.00 0.00 H new ATOM 653 N GLU A 193 -1.335 2.249 5.058 1.00 0.00 N ATOM 654 CA GLU A 193 -2.051 0.980 5.026 1.00 0.00 C ATOM 655 C GLU A 193 -2.725 0.800 3.673 1.00 0.00 C ATOM 656 O GLU A 193 -3.145 1.777 3.049 1.00 0.00 O ATOM 657 CB GLU A 193 -3.085 0.922 6.152 1.00 0.00 C ATOM 658 CG GLU A 193 -3.635 -0.472 6.401 1.00 0.00 C ATOM 659 CD GLU A 193 -3.252 -1.019 7.763 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.338 -0.261 8.752 1.00 0.00 O ATOM 661 OE2 GLU A 193 -2.866 -2.204 7.840 1.00 0.00 O ATOM 0 H GLU A 193 -1.888 3.039 5.391 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.339 0.169 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.631 1.294 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.911 1.592 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.721 -0.450 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.268 -1.146 5.627 1.00 0.00 H new ATOM 668 N GLY A 194 -2.821 -0.441 3.212 1.00 0.00 N ATOM 669 CA GLY A 194 -3.439 -0.693 1.924 1.00 0.00 C ATOM 670 C GLY A 194 -4.044 -2.078 1.817 1.00 0.00 C ATOM 671 O GLY A 194 -3.682 -2.982 2.569 1.00 0.00 O ATOM 0 H GLY A 194 -2.485 -1.271 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.216 0.051 1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.694 -0.567 1.139 1.00 0.00 H new ATOM 675 N GLN A 195 -4.965 -2.241 0.874 1.00 0.00 N ATOM 676 CA GLN A 195 -5.625 -3.521 0.660 1.00 0.00 C ATOM 677 C GLN A 195 -5.217 -4.128 -0.676 1.00 0.00 C ATOM 678 O GLN A 195 -5.188 -3.442 -1.698 1.00 0.00 O ATOM 679 CB GLN A 195 -7.142 -3.356 0.716 1.00 0.00 C ATOM 680 CG GLN A 195 -7.842 -4.437 1.523 1.00 0.00 C ATOM 681 CD GLN A 195 -9.245 -4.038 1.938 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.485 -2.903 2.349 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.181 -4.975 1.831 1.00 0.00 N ATOM 0 H GLN A 195 -5.271 -1.499 0.244 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.312 -4.197 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.378 -2.383 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.537 -3.359 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.888 -5.353 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.253 -4.660 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.937 -5.903 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.144 -4.766 2.095 1.00 0.00 H new ATOM 692 N LEU A 196 -4.901 -5.418 -0.665 1.00 0.00 N ATOM 693 CA LEU A 196 -4.496 -6.117 -1.879 1.00 0.00 C ATOM 694 C LEU A 196 -5.543 -7.152 -2.284 1.00 0.00 C ATOM 695 O LEU A 196 -5.324 -8.356 -2.150 1.00 0.00 O ATOM 696 CB LEU A 196 -3.135 -6.791 -1.676 1.00 0.00 C ATOM 697 CG LEU A 196 -2.193 -6.729 -2.879 1.00 0.00 C ATOM 698 CD1 LEU A 196 -2.698 -7.619 -4.004 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.039 -5.293 -3.363 1.00 0.00 C ATOM 0 H LEU A 196 -4.917 -6.001 0.172 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.410 -5.385 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.641 -6.326 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.300 -7.837 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.215 -7.095 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.013 -7.560 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.755 -8.650 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.688 -7.286 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -1.365 -5.268 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.013 -4.901 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.628 -4.681 -2.560 1.00 0.00 H new ATOM 711 N ASN A 197 -6.683 -6.665 -2.779 1.00 0.00 N ATOM 712 CA ASN A 197 -7.786 -7.526 -3.216 1.00 0.00 C ATOM 713 C ASN A 197 -8.719 -7.879 -2.057 1.00 0.00 C ATOM 714 O ASN A 197 -9.906 -8.124 -2.266 1.00 0.00 O ATOM 715 CB ASN A 197 -7.261 -8.807 -3.872 1.00 0.00 C ATOM 716 CG ASN A 197 -8.150 -9.282 -5.006 1.00 0.00 C ATOM 717 OD1 ASN A 197 -9.281 -9.717 -4.783 1.00 0.00 O ATOM 718 ND2 ASN A 197 -7.642 -9.203 -6.230 1.00 0.00 N ATOM 0 H ASN A 197 -6.868 -5.668 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.356 -6.962 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.255 -8.631 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.185 -9.592 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -8.193 -9.509 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -6.700 -8.836 -6.369 1.00 0.00 H new ATOM 725 N ASN A 198 -8.182 -7.905 -0.840 1.00 0.00 N ATOM 726 CA ASN A 198 -8.982 -8.230 0.337 1.00 0.00 C ATOM 727 C ASN A 198 -8.153 -8.134 1.613 1.00 0.00 C ATOM 728 O ASN A 198 -8.650 -7.711 2.657 1.00 0.00 O ATOM 729 CB ASN A 198 -9.573 -9.636 0.205 1.00 0.00 C ATOM 730 CG ASN A 198 -10.494 -9.986 1.358 1.00 0.00 C ATOM 731 OD1 ASN A 198 -11.080 -9.106 1.987 1.00 0.00 O ATOM 732 ND2 ASN A 198 -10.622 -11.277 1.640 1.00 0.00 N ATOM 0 H ASN A 198 -7.201 -7.706 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.792 -7.504 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -10.125 -9.709 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -8.764 -10.364 0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -11.226 -11.574 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.116 -11.972 1.091 1.00 0.00 H new ATOM 739 N ARG A 199 -6.889 -8.535 1.527 1.00 0.00 N ATOM 740 CA ARG A 199 -5.995 -8.499 2.676 1.00 0.00 C ATOM 741 C ARG A 199 -5.652 -7.064 3.062 1.00 0.00 C ATOM 742 O ARG A 199 -5.637 -6.170 2.216 1.00 0.00 O ATOM 743 CB ARG A 199 -4.715 -9.277 2.370 1.00 0.00 C ATOM 744 CG ARG A 199 -4.122 -8.965 1.004 1.00 0.00 C ATOM 745 CD ARG A 199 -4.261 -10.143 0.053 1.00 0.00 C ATOM 746 NE ARG A 199 -3.312 -11.211 0.362 1.00 0.00 N ATOM 747 CZ ARG A 199 -2.026 -11.181 0.023 1.00 0.00 C ATOM 748 NH1 ARG A 199 -1.530 -10.138 -0.633 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.232 -12.193 0.343 1.00 0.00 N ATOM 0 H ARG A 199 -6.461 -8.889 0.671 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.508 -8.965 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.973 -9.056 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -4.926 -10.345 2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.621 -8.093 0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.069 -8.707 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -5.277 -10.534 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -4.104 -9.803 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 199 -3.656 -12.027 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -2.136 -9.355 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -0.543 -10.120 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -1.607 -12.995 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -0.246 -12.170 0.083 1.00 0.00 H new ATOM 763 N ARG A 200 -5.377 -6.854 4.345 1.00 0.00 N ATOM 764 CA ARG A 200 -5.029 -5.533 4.855 1.00 0.00 C ATOM 765 C ARG A 200 -3.610 -5.537 5.415 1.00 0.00 C ATOM 766 O ARG A 200 -3.114 -6.575 5.851 1.00 0.00 O ATOM 767 CB ARG A 200 -6.014 -5.120 5.952 1.00 0.00 C ATOM 768 CG ARG A 200 -7.217 -4.349 5.436 1.00 0.00 C ATOM 769 CD ARG A 200 -8.481 -4.702 6.203 1.00 0.00 C ATOM 770 NE ARG A 200 -9.539 -5.187 5.323 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.620 -6.439 4.877 1.00 0.00 C ATOM 772 NH1 ARG A 200 -8.701 -7.335 5.223 1.00 0.00 N ATOM 773 NH2 ARG A 200 -10.618 -6.796 4.082 1.00 0.00 N ATOM 0 H ARG A 200 -5.389 -7.587 5.054 1.00 0.00 H new ATOM 0 HA ARG A 200 -5.083 -4.818 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.362 -6.013 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.490 -4.509 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.027 -3.279 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.361 -4.565 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.252 -5.464 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.834 -3.824 6.744 1.00 0.00 H new ATOM 0 HE ARG A 200 -10.260 -4.527 5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -7.929 -7.065 5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -8.768 -8.293 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.324 -6.112 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -10.680 -7.755 3.740 1.00 0.00 H new ATOM 787 N GLY A 201 -2.954 -4.380 5.398 1.00 0.00 N ATOM 788 CA GLY A 201 -1.597 -4.308 5.911 1.00 0.00 C ATOM 789 C GLY A 201 -0.969 -2.939 5.750 1.00 0.00 C ATOM 790 O GLY A 201 -1.403 -2.139 4.920 1.00 0.00 O ATOM 0 H GLY A 201 -3.332 -3.501 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.600 -4.577 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.981 -5.046 5.396 1.00 0.00 H new ATOM 794 N ILE A 202 0.066 -2.672 6.542 1.00 0.00 N ATOM 795 CA ILE A 202 0.767 -1.397 6.481 1.00 0.00 C ATOM 796 C ILE A 202 2.142 -1.566 5.847 1.00 0.00 C ATOM 797 O ILE A 202 2.749 -2.633 5.931 1.00 0.00 O ATOM 798 CB ILE A 202 0.939 -0.772 7.880 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.619 -1.760 8.829 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.411 -0.339 8.434 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.711 -1.133 9.669 1.00 0.00 C ATOM 0 H ILE A 202 0.437 -3.324 7.234 1.00 0.00 H new ATOM 0 HA ILE A 202 0.157 -0.731 5.870 1.00 0.00 H new ATOM 0 HB ILE A 202 1.575 0.109 7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.868 -2.194 9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.043 -2.578 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.275 0.100 9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.858 0.398 7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.068 -1.205 8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.150 -1.890 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.482 -0.723 9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.288 -0.334 10.278 1.00 0.00 H new ATOM 813 N PHE A 203 2.628 -0.509 5.207 1.00 0.00 N ATOM 814 CA PHE A 203 3.931 -0.548 4.556 1.00 0.00 C ATOM 815 C PHE A 203 4.415 0.857 4.220 1.00 0.00 C ATOM 816 O PHE A 203 3.612 1.774 4.052 1.00 0.00 O ATOM 817 CB PHE A 203 3.854 -1.386 3.279 1.00 0.00 C ATOM 818 CG PHE A 203 3.012 -0.760 2.201 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.479 0.326 1.471 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.747 -1.252 1.922 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.699 0.901 0.486 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.964 -0.679 0.940 1.00 0.00 C ATOM 823 CZ PHE A 203 1.440 0.400 0.220 1.00 0.00 C ATOM 0 H PHE A 203 2.141 0.383 5.125 1.00 0.00 H new ATOM 0 HA PHE A 203 4.642 -1.003 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.862 -1.544 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.448 -2.368 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.462 0.725 1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.368 -2.095 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.074 1.743 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.020 -1.074 0.735 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.829 0.850 -0.549 1.00 0.00 H new ATOM 833 N PRO A 204 5.739 1.044 4.096 1.00 0.00 N ATOM 834 CA PRO A 204 6.317 2.342 3.757 1.00 0.00 C ATOM 835 C PRO A 204 5.938 2.755 2.340 1.00 0.00 C ATOM 836 O PRO A 204 6.457 2.206 1.367 1.00 0.00 O ATOM 837 CB PRO A 204 7.834 2.116 3.863 1.00 0.00 C ATOM 838 CG PRO A 204 7.993 0.818 4.584 1.00 0.00 C ATOM 839 CD PRO A 204 6.772 0.011 4.257 1.00 0.00 C ATOM 0 HA PRO A 204 5.961 3.138 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.295 2.076 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.315 2.929 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.899 0.302 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.079 0.977 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.905 -0.575 3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.524 -0.690 5.054 1.00 0.00 H new ATOM 847 N SER A 205 5.025 3.715 2.220 1.00 0.00 N ATOM 848 CA SER A 205 4.580 4.178 0.910 1.00 0.00 C ATOM 849 C SER A 205 5.768 4.536 0.026 1.00 0.00 C ATOM 850 O SER A 205 5.676 4.495 -1.200 1.00 0.00 O ATOM 851 CB SER A 205 3.647 5.376 1.043 1.00 0.00 C ATOM 852 OG SER A 205 2.629 5.340 0.059 1.00 0.00 O ATOM 0 H SER A 205 4.581 4.185 3.009 1.00 0.00 H new ATOM 0 HA SER A 205 4.031 3.362 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.197 5.382 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 205 4.219 6.299 0.946 1.00 0.00 H new ATOM 0 HG SER A 205 1.971 6.042 0.243 1.00 0.00 H new ATOM 858 N ASN A 206 6.895 4.869 0.653 1.00 0.00 N ATOM 859 CA ASN A 206 8.102 5.206 -0.091 1.00 0.00 C ATOM 860 C ASN A 206 8.432 4.107 -1.100 1.00 0.00 C ATOM 861 O ASN A 206 9.140 4.340 -2.079 1.00 0.00 O ATOM 862 CB ASN A 206 9.274 5.412 0.867 1.00 0.00 C ATOM 863 CG ASN A 206 9.832 6.814 0.811 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.354 7.663 0.057 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.856 7.062 1.612 1.00 0.00 N ATOM 0 H ASN A 206 6.995 4.912 1.667 1.00 0.00 H new ATOM 0 HA ASN A 206 7.926 6.134 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.949 5.195 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 206 10.064 4.701 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.283 7.988 1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.218 6.327 2.219 1.00 0.00 H new ATOM 872 N TYR A 207 7.903 2.907 -0.853 1.00 0.00 N ATOM 873 CA TYR A 207 8.126 1.772 -1.737 1.00 0.00 C ATOM 874 C TYR A 207 7.002 1.649 -2.758 1.00 0.00 C ATOM 875 O TYR A 207 6.762 0.569 -3.297 1.00 0.00 O ATOM 876 CB TYR A 207 8.199 0.489 -0.915 1.00 0.00 C ATOM 877 CG TYR A 207 9.597 -0.074 -0.784 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.681 0.757 -0.534 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.831 -1.437 -0.909 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.959 0.246 -0.414 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.106 -1.956 -0.789 1.00 0.00 C ATOM 882 CZ TYR A 207 12.167 -1.111 -0.542 1.00 0.00 C ATOM 883 OH TYR A 207 13.438 -1.623 -0.422 1.00 0.00 O ATOM 0 H TYR A 207 7.316 2.701 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 207 9.065 1.930 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.801 0.684 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.556 -0.262 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.522 1.820 -0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.003 -2.102 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.791 0.907 -0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.271 -3.019 -0.888 1.00 0.00 H new ATOM 0 HH TYR A 207 13.411 -2.596 -0.537 1.00 0.00 H new ATOM 893 N VAL A 208 6.301 2.750 -3.008 1.00 0.00 N ATOM 894 CA VAL A 208 5.193 2.730 -3.949 1.00 0.00 C ATOM 895 C VAL A 208 5.061 4.057 -4.697 1.00 0.00 C ATOM 896 O VAL A 208 5.942 4.914 -4.628 1.00 0.00 O ATOM 897 CB VAL A 208 3.868 2.407 -3.220 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.055 1.235 -2.269 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.356 3.613 -2.451 1.00 0.00 C ATOM 0 H VAL A 208 6.479 3.657 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 208 5.403 1.949 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 208 3.131 2.141 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.113 1.022 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.372 0.357 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.814 1.485 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.423 3.355 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 208 4.096 3.913 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.180 4.437 -3.142 1.00 0.00 H new ATOM 909 N ALA A 209 3.949 4.214 -5.408 1.00 0.00 N ATOM 910 CA ALA A 209 3.687 5.428 -6.168 1.00 0.00 C ATOM 911 C ALA A 209 2.199 5.552 -6.497 1.00 0.00 C ATOM 912 O ALA A 209 1.666 4.768 -7.284 1.00 0.00 O ATOM 913 CB ALA A 209 4.513 5.439 -7.445 1.00 0.00 C ATOM 0 H ALA A 209 3.213 3.511 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 209 3.974 6.283 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.307 6.352 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.573 5.399 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.252 4.574 -8.055 1.00 0.00 H new ATOM 919 N PRO A 210 1.504 6.535 -5.896 1.00 0.00 N ATOM 920 CA PRO A 210 0.072 6.747 -6.132 1.00 0.00 C ATOM 921 C PRO A 210 -0.287 6.722 -7.616 1.00 0.00 C ATOM 922 O PRO A 210 0.278 7.467 -8.415 1.00 0.00 O ATOM 923 CB PRO A 210 -0.176 8.134 -5.540 1.00 0.00 C ATOM 924 CG PRO A 210 0.836 8.256 -4.454 1.00 0.00 C ATOM 925 CD PRO A 210 2.055 7.517 -4.941 1.00 0.00 C ATOM 0 HA PRO A 210 -0.537 5.961 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.051 8.915 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.190 8.225 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 210 1.068 9.302 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.464 7.826 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.766 8.189 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.582 7.028 -4.122 1.00 0.00 H new ATOM 933 N TYR A 211 -1.227 5.853 -7.971 1.00 0.00 N ATOM 934 CA TYR A 211 -1.664 5.721 -9.356 1.00 0.00 C ATOM 935 C TYR A 211 -3.015 6.397 -9.572 1.00 0.00 C ATOM 936 O TYR A 211 -3.124 7.360 -10.332 1.00 0.00 O ATOM 937 CB TYR A 211 -1.751 4.241 -9.740 1.00 0.00 C ATOM 938 CG TYR A 211 -2.290 3.999 -11.132 1.00 0.00 C ATOM 939 CD1 TYR A 211 -3.655 4.043 -11.385 1.00 0.00 C ATOM 940 CD2 TYR A 211 -1.436 3.724 -12.192 1.00 0.00 C ATOM 941 CE1 TYR A 211 -4.153 3.822 -12.655 1.00 0.00 C ATOM 942 CE2 TYR A 211 -1.925 3.502 -13.466 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.284 3.552 -13.691 1.00 0.00 C ATOM 944 OH TYR A 211 -3.776 3.331 -14.957 1.00 0.00 O ATOM 0 H TYR A 211 -1.701 5.229 -7.318 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.930 6.215 -9.993 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.758 3.797 -9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.387 3.726 -9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -4.339 4.253 -10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -0.371 3.683 -12.018 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -5.217 3.861 -12.835 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -1.247 3.291 -14.279 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.032 3.156 -15.571 1.00 0.00 H new ATOM 954 N ASN A 212 -4.041 5.887 -8.900 1.00 0.00 N ATOM 955 CA ASN A 212 -5.385 6.440 -9.017 1.00 0.00 C ATOM 956 C ASN A 212 -5.497 7.775 -8.286 1.00 0.00 C ATOM 957 O ASN A 212 -6.402 8.566 -8.557 1.00 0.00 O ATOM 958 CB ASN A 212 -6.414 5.454 -8.460 1.00 0.00 C ATOM 959 CG ASN A 212 -7.838 5.878 -8.757 1.00 0.00 C ATOM 960 OD1 ASN A 212 -8.409 6.714 -8.058 1.00 0.00 O ATOM 961 ND2 ASN A 212 -8.424 5.298 -9.800 1.00 0.00 N ATOM 0 H ASN A 212 -3.967 5.090 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.587 6.611 -10.075 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -6.235 4.467 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -6.281 5.365 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -9.383 5.542 -10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -7.914 4.609 -10.354 1.00 0.00 H new ATOM 968 N SER A 213 -4.577 8.023 -7.358 1.00 0.00 N ATOM 969 CA SER A 213 -4.579 9.263 -6.590 1.00 0.00 C ATOM 970 C SER A 213 -4.578 10.479 -7.512 1.00 0.00 C ATOM 971 O SER A 213 -5.128 11.527 -7.176 1.00 0.00 O ATOM 972 CB SER A 213 -3.367 9.313 -5.657 1.00 0.00 C ATOM 973 OG SER A 213 -2.217 9.777 -6.341 1.00 0.00 O ATOM 0 H SER A 213 -3.821 7.381 -7.120 1.00 0.00 H new ATOM 0 HA SER A 213 -5.490 9.287 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 213 -3.581 9.968 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 213 -3.176 8.320 -5.250 1.00 0.00 H new ATOM 0 HG SER A 213 -2.013 9.173 -7.085 1.00 0.00 H new ATOM 979 N ASN A 214 -3.955 10.330 -8.677 1.00 0.00 N ATOM 980 CA ASN A 214 -3.881 11.416 -9.648 1.00 0.00 C ATOM 981 C ASN A 214 -4.258 10.926 -11.042 1.00 0.00 C ATOM 982 O ASN A 214 -5.042 11.622 -11.721 1.00 0.00 O ATOM 983 CB ASN A 214 -2.474 12.015 -9.669 1.00 0.00 C ATOM 984 CG ASN A 214 -2.383 13.249 -10.544 1.00 0.00 C ATOM 985 OD1 ASN A 214 -2.381 14.377 -10.051 1.00 0.00 O ATOM 986 ND2 ASN A 214 -2.307 13.041 -11.855 1.00 0.00 N ATOM 987 OXT ASN A 214 -3.765 9.850 -11.443 1.00 0.00 O ATOM 0 H ASN A 214 -3.495 9.469 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 214 -4.592 12.186 -9.348 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -2.176 12.271 -8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.769 11.266 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.244 13.833 -12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.312 12.089 -12.221 1.00 0.00 H new TER 994 ASN A 214