USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 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 Set 1.1: A 153 HIS : no HD1:sc= -0.732 K(o=-0.74,f=-3.1) USER MOD Set 1.2: A 154 MET CE :methyl -161:sc=-0.00651 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc=-0.00203 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.7) USER MOD Single : A 166 ASN : amide:sc= -0.182 K(o=-0.18,f=0.87) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -94:sc= 0.82 USER MOD Single : A 185 ASN : amide:sc= -3.08 X(o=-3.1,f=-3!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 195 GLN : amide:sc= -0.943 K(o=-0.94,f=-3.6) USER MOD Single : A 197 ASN : amide:sc= -0.818 K(o=-0.82,f=-1.4) USER MOD Single : A 198 ASN : amide:sc= -0.195 K(o=-0.2,f=-3.1!) USER MOD Single : A 205 SER OG : rot -144:sc= 2.18 USER MOD Single : A 206 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.2!) 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= -0.584 K(o=-0.58,f=-1.4) USER MOD Single : A 213 SER OG : rot 180:sc= -0.678 USER MOD Single : A 214 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -16.839 4.827 -1.295 1.00 0.00 N ATOM 2 CA HIS A 153 -17.653 5.586 -0.311 1.00 0.00 C ATOM 3 C HIS A 153 -17.711 7.069 -0.663 1.00 0.00 C ATOM 4 O HIS A 153 -18.788 7.659 -0.730 1.00 0.00 O ATOM 5 CB HIS A 153 -17.043 5.395 1.080 1.00 0.00 C ATOM 6 CG HIS A 153 -15.561 5.603 1.120 1.00 0.00 C ATOM 7 ND1 HIS A 153 -14.975 6.756 1.602 1.00 0.00 N ATOM 8 CD2 HIS A 153 -14.542 4.799 0.735 1.00 0.00 C ATOM 9 CE1 HIS A 153 -13.661 6.652 1.510 1.00 0.00 C ATOM 10 NE2 HIS A 153 -13.373 5.474 0.989 1.00 0.00 N ATOM 0 HA HIS A 153 -18.675 5.207 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -17.517 6.089 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -17.270 4.388 1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -14.632 3.811 0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -12.945 7.403 1.810 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -12.434 5.122 0.805 1.00 0.00 H new ATOM 21 N MET A 154 -16.545 7.667 -0.888 1.00 0.00 N ATOM 22 CA MET A 154 -16.465 9.081 -1.233 1.00 0.00 C ATOM 23 C MET A 154 -15.290 9.350 -2.166 1.00 0.00 C ATOM 24 O MET A 154 -15.465 9.519 -3.373 1.00 0.00 O ATOM 25 CB MET A 154 -16.333 9.931 0.032 1.00 0.00 C ATOM 26 CG MET A 154 -17.597 9.967 0.876 1.00 0.00 C ATOM 27 SD MET A 154 -17.299 10.575 2.547 1.00 0.00 S ATOM 28 CE MET A 154 -16.829 9.061 3.380 1.00 0.00 C ATOM 0 H MET A 154 -15.643 7.194 -0.837 1.00 0.00 H new ATOM 0 HA MET A 154 -17.385 9.354 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 154 -15.513 9.543 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 154 -16.066 10.949 -0.251 1.00 0.00 H new ATOM 0 HG2 MET A 154 -18.337 10.602 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 154 -18.023 8.965 0.929 1.00 0.00 H new ATOM 0 HE1 MET A 154 -16.940 9.189 4.457 1.00 0.00 H new ATOM 0 HE2 MET A 154 -17.470 8.246 3.043 1.00 0.00 H new ATOM 0 HE3 MET A 154 -15.791 8.825 3.147 1.00 0.00 H new ATOM 38 N GLU A 155 -14.089 9.385 -1.599 1.00 0.00 N ATOM 39 CA GLU A 155 -12.881 9.631 -2.377 1.00 0.00 C ATOM 40 C GLU A 155 -11.900 8.472 -2.241 1.00 0.00 C ATOM 41 O GLU A 155 -11.175 8.372 -1.252 1.00 0.00 O ATOM 42 CB GLU A 155 -12.214 10.932 -1.923 1.00 0.00 C ATOM 43 CG GLU A 155 -12.708 12.161 -2.672 1.00 0.00 C ATOM 44 CD GLU A 155 -12.614 13.425 -1.843 1.00 0.00 C ATOM 45 OE1 GLU A 155 -11.480 13.889 -1.595 1.00 0.00 O ATOM 46 OE2 GLU A 155 -13.672 13.953 -1.440 1.00 0.00 O ATOM 0 H GLU A 155 -13.926 9.246 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.167 9.721 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.393 11.070 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -11.136 10.844 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -12.124 12.285 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -13.744 12.006 -2.975 1.00 0.00 H new ATOM 53 N THR A 156 -11.885 7.597 -3.241 1.00 0.00 N ATOM 54 CA THR A 156 -10.993 6.443 -3.233 1.00 0.00 C ATOM 55 C THR A 156 -9.604 6.826 -3.733 1.00 0.00 C ATOM 56 O THR A 156 -9.450 7.769 -4.508 1.00 0.00 O ATOM 57 CB THR A 156 -11.568 5.322 -4.100 1.00 0.00 C ATOM 58 OG1 THR A 156 -10.652 4.246 -4.203 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.910 5.767 -5.506 1.00 0.00 C ATOM 0 H THR A 156 -12.480 7.665 -4.067 1.00 0.00 H new ATOM 0 HA THR A 156 -10.905 6.090 -2.205 1.00 0.00 H new ATOM 0 HB THR A 156 -12.486 5.014 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.039 3.539 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 156 -12.313 4.924 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.653 6.563 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.011 6.135 -6.000 1.00 0.00 H new ATOM 67 N LYS A 157 -8.596 6.086 -3.284 1.00 0.00 N ATOM 68 CA LYS A 157 -7.218 6.348 -3.685 1.00 0.00 C ATOM 69 C LYS A 157 -6.398 5.062 -3.690 1.00 0.00 C ATOM 70 O LYS A 157 -6.415 4.299 -2.724 1.00 0.00 O ATOM 71 CB LYS A 157 -6.576 7.371 -2.747 1.00 0.00 C ATOM 72 CG LYS A 157 -5.507 8.223 -3.414 1.00 0.00 C ATOM 73 CD LYS A 157 -4.537 8.795 -2.395 1.00 0.00 C ATOM 74 CE LYS A 157 -3.790 9.997 -2.951 1.00 0.00 C ATOM 75 NZ LYS A 157 -2.833 10.564 -1.961 1.00 0.00 N ATOM 0 H LYS A 157 -8.707 5.301 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.233 6.753 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -7.353 8.024 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -6.134 6.847 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.961 7.621 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.979 9.036 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.081 9.087 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.823 8.026 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -3.250 9.704 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -4.506 10.765 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -2.344 11.381 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -3.351 10.868 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -2.134 9.840 -1.700 1.00 0.00 H new ATOM 89 N PHE A 158 -5.681 4.826 -4.784 1.00 0.00 N ATOM 90 CA PHE A 158 -4.854 3.631 -4.914 1.00 0.00 C ATOM 91 C PHE A 158 -3.385 4.003 -5.088 1.00 0.00 C ATOM 92 O PHE A 158 -3.024 5.177 -5.045 1.00 0.00 O ATOM 93 CB PHE A 158 -5.327 2.783 -6.098 1.00 0.00 C ATOM 94 CG PHE A 158 -6.471 1.870 -5.758 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.659 2.381 -5.258 1.00 0.00 C ATOM 96 CD2 PHE A 158 -6.361 0.501 -5.941 1.00 0.00 C ATOM 97 CE1 PHE A 158 -8.713 1.543 -4.946 1.00 0.00 C ATOM 98 CE2 PHE A 158 -7.411 -0.342 -5.630 1.00 0.00 C ATOM 99 CZ PHE A 158 -8.589 0.181 -5.132 1.00 0.00 C ATOM 0 H PHE A 158 -5.656 5.446 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.954 3.047 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.628 3.443 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.492 2.186 -6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.762 3.446 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -5.443 0.087 -6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.633 1.954 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -7.311 -1.407 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 158 -9.412 -0.475 -4.889 1.00 0.00 H new ATOM 109 N VAL A 159 -2.546 2.992 -5.281 1.00 0.00 N ATOM 110 CA VAL A 159 -1.114 3.207 -5.459 1.00 0.00 C ATOM 111 C VAL A 159 -0.467 2.030 -6.177 1.00 0.00 C ATOM 112 O VAL A 159 -0.988 0.914 -6.163 1.00 0.00 O ATOM 113 CB VAL A 159 -0.401 3.417 -4.107 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.904 4.675 -3.417 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.589 2.206 -3.207 1.00 0.00 C ATOM 0 H VAL A 159 -2.833 2.014 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.005 4.107 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 159 0.664 3.539 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.386 4.800 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.712 5.540 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.976 4.588 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.078 2.375 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.652 2.050 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.171 1.324 -3.692 1.00 0.00 H new ATOM 125 N GLN A 160 0.680 2.283 -6.800 1.00 0.00 N ATOM 126 CA GLN A 160 1.407 1.244 -7.519 1.00 0.00 C ATOM 127 C GLN A 160 2.785 1.031 -6.903 1.00 0.00 C ATOM 128 O GLN A 160 3.619 1.936 -6.891 1.00 0.00 O ATOM 129 CB GLN A 160 1.543 1.613 -8.998 1.00 0.00 C ATOM 130 CG GLN A 160 1.608 0.410 -9.922 1.00 0.00 C ATOM 131 CD GLN A 160 2.685 0.544 -10.981 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.841 0.834 -10.674 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.309 0.335 -12.237 1.00 0.00 N ATOM 0 H GLN A 160 1.126 3.200 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 160 0.843 0.315 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.698 2.237 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.443 2.213 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.794 -0.487 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.641 0.277 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.340 0.097 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.990 0.413 -12.993 1.00 0.00 H new ATOM 142 N ALA A 161 3.016 -0.171 -6.385 1.00 0.00 N ATOM 143 CA ALA A 161 4.288 -0.505 -5.757 1.00 0.00 C ATOM 144 C ALA A 161 5.423 -0.533 -6.774 1.00 0.00 C ATOM 145 O ALA A 161 5.210 -0.805 -7.954 1.00 0.00 O ATOM 146 CB ALA A 161 4.187 -1.844 -5.044 1.00 0.00 C ATOM 0 H ALA A 161 2.336 -0.932 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 161 4.514 0.272 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.144 -2.082 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.414 -1.790 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.930 -2.621 -5.764 1.00 0.00 H new ATOM 152 N LEU A 162 6.635 -0.255 -6.302 1.00 0.00 N ATOM 153 CA LEU A 162 7.811 -0.257 -7.166 1.00 0.00 C ATOM 154 C LEU A 162 8.719 -1.444 -6.847 1.00 0.00 C ATOM 155 O LEU A 162 9.520 -1.864 -7.681 1.00 0.00 O ATOM 156 CB LEU A 162 8.592 1.050 -7.022 1.00 0.00 C ATOM 157 CG LEU A 162 8.795 1.521 -5.583 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.274 1.724 -5.285 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.018 2.803 -5.330 1.00 0.00 C ATOM 0 H LEU A 162 6.828 -0.026 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 162 7.467 -0.348 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.569 0.926 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.070 1.831 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 162 8.417 0.749 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.395 2.059 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.806 0.783 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.682 2.475 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.173 3.125 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.367 3.580 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.956 2.624 -5.498 1.00 0.00 H new ATOM 171 N PHE A 163 8.587 -1.978 -5.634 1.00 0.00 N ATOM 172 CA PHE A 163 9.393 -3.118 -5.208 1.00 0.00 C ATOM 173 C PHE A 163 8.546 -4.112 -4.418 1.00 0.00 C ATOM 174 O PHE A 163 7.639 -3.722 -3.684 1.00 0.00 O ATOM 175 CB PHE A 163 10.572 -2.643 -4.359 1.00 0.00 C ATOM 176 CG PHE A 163 11.848 -3.389 -4.633 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.612 -3.091 -5.750 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.281 -4.388 -3.776 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.785 -3.774 -6.007 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.453 -5.075 -4.027 1.00 0.00 C ATOM 181 CZ PHE A 163 14.206 -4.768 -5.144 1.00 0.00 C ATOM 0 H PHE A 163 7.930 -1.639 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 163 9.775 -3.619 -6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.735 -1.581 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.317 -2.751 -3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.287 -2.316 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.696 -4.632 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.372 -3.532 -6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.780 -5.851 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.122 -5.304 -5.342 1.00 0.00 H new ATOM 191 N ASP A 164 8.849 -5.396 -4.574 1.00 0.00 N ATOM 192 CA ASP A 164 8.114 -6.443 -3.875 1.00 0.00 C ATOM 193 C ASP A 164 8.397 -6.403 -2.376 1.00 0.00 C ATOM 194 O ASP A 164 9.496 -6.047 -1.952 1.00 0.00 O ATOM 195 CB ASP A 164 8.486 -7.817 -4.437 1.00 0.00 C ATOM 196 CG ASP A 164 8.385 -7.869 -5.950 1.00 0.00 C ATOM 197 OD1 ASP A 164 9.270 -7.303 -6.623 1.00 0.00 O ATOM 198 OD2 ASP A 164 7.419 -8.476 -6.460 1.00 0.00 O ATOM 0 H ASP A 164 9.598 -5.736 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 164 7.049 -6.268 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.503 -8.067 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.830 -8.573 -4.005 1.00 0.00 H new ATOM 203 N PHE A 165 7.397 -6.768 -1.579 1.00 0.00 N ATOM 204 CA PHE A 165 7.541 -6.773 -0.128 1.00 0.00 C ATOM 205 C PHE A 165 6.941 -8.039 0.475 1.00 0.00 C ATOM 206 O PHE A 165 5.735 -8.271 0.384 1.00 0.00 O ATOM 207 CB PHE A 165 6.865 -5.541 0.475 1.00 0.00 C ATOM 208 CG PHE A 165 7.243 -5.290 1.906 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.553 -5.001 2.252 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.286 -5.343 2.908 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.902 -4.770 3.568 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.629 -5.112 4.226 1.00 0.00 C ATOM 213 CZ PHE A 165 7.938 -4.826 4.558 1.00 0.00 C ATOM 0 H PHE A 165 6.480 -7.064 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 165 8.605 -6.749 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 165 7.126 -4.666 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.784 -5.661 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 165 9.310 -4.956 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.260 -5.568 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.927 -4.546 3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.873 -5.155 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.209 -4.646 5.588 1.00 0.00 H new ATOM 223 N ASN A 166 7.791 -8.853 1.091 1.00 0.00 N ATOM 224 CA ASN A 166 7.349 -10.095 1.710 1.00 0.00 C ATOM 225 C ASN A 166 7.402 -9.990 3.232 1.00 0.00 C ATOM 226 O ASN A 166 8.411 -10.330 3.852 1.00 0.00 O ATOM 227 CB ASN A 166 8.216 -11.267 1.238 1.00 0.00 C ATOM 228 CG ASN A 166 9.666 -10.878 1.011 1.00 0.00 C ATOM 229 OD1 ASN A 166 10.358 -10.448 1.935 1.00 0.00 O ATOM 230 ND2 ASN A 166 10.131 -11.026 -0.223 1.00 0.00 N ATOM 0 H ASN A 166 8.792 -8.674 1.175 1.00 0.00 H new ATOM 0 HA ASN A 166 6.317 -10.274 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.171 -12.066 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 166 7.804 -11.667 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 166 11.097 -10.780 -0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 166 9.522 -11.386 -0.958 1.00 0.00 H new ATOM 237 N PRO A 167 6.311 -9.516 3.859 1.00 0.00 N ATOM 238 CA PRO A 167 6.239 -9.367 5.312 1.00 0.00 C ATOM 239 C PRO A 167 6.010 -10.696 6.022 1.00 0.00 C ATOM 240 O PRO A 167 4.999 -11.362 5.802 1.00 0.00 O ATOM 241 CB PRO A 167 5.040 -8.442 5.508 1.00 0.00 C ATOM 242 CG PRO A 167 4.160 -8.709 4.334 1.00 0.00 C ATOM 243 CD PRO A 167 5.064 -9.087 3.195 1.00 0.00 C ATOM 0 HA PRO A 167 7.168 -8.981 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.525 -8.654 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.348 -7.397 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.456 -9.512 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.570 -7.827 4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.635 -9.889 2.594 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.237 -8.244 2.526 1.00 0.00 H new ATOM 251 N GLN A 168 6.953 -11.074 6.877 1.00 0.00 N ATOM 252 CA GLN A 168 6.853 -12.322 7.624 1.00 0.00 C ATOM 253 C GLN A 168 6.277 -12.081 9.016 1.00 0.00 C ATOM 254 O GLN A 168 6.477 -12.883 9.929 1.00 0.00 O ATOM 255 CB GLN A 168 8.228 -12.985 7.736 1.00 0.00 C ATOM 256 CG GLN A 168 8.161 -14.492 7.922 1.00 0.00 C ATOM 257 CD GLN A 168 9.239 -15.222 7.144 1.00 0.00 C ATOM 258 OE1 GLN A 168 10.219 -15.699 7.715 1.00 0.00 O ATOM 259 NE2 GLN A 168 9.063 -15.312 5.830 1.00 0.00 N ATOM 0 H GLN A 168 7.796 -10.534 7.070 1.00 0.00 H new ATOM 0 HA GLN A 168 6.179 -12.986 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.804 -12.763 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.767 -12.547 8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.259 -14.729 8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 168 7.182 -14.851 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.235 -14.902 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 168 9.755 -15.791 5.254 1.00 0.00 H new ATOM 268 N GLU A 169 5.560 -10.971 9.175 1.00 0.00 N ATOM 269 CA GLU A 169 4.956 -10.628 10.457 1.00 0.00 C ATOM 270 C GLU A 169 3.518 -10.157 10.270 1.00 0.00 C ATOM 271 O GLU A 169 3.062 -9.958 9.145 1.00 0.00 O ATOM 272 CB GLU A 169 5.775 -9.541 11.157 1.00 0.00 C ATOM 273 CG GLU A 169 7.170 -9.995 11.558 1.00 0.00 C ATOM 274 CD GLU A 169 7.596 -9.447 12.906 1.00 0.00 C ATOM 275 OE1 GLU A 169 6.768 -9.462 13.841 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.757 -9.001 13.025 1.00 0.00 O ATOM 0 H GLU A 169 5.384 -10.295 8.432 1.00 0.00 H new ATOM 0 HA GLU A 169 4.949 -11.523 11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.858 -8.678 10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.239 -9.210 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.199 -11.084 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.884 -9.677 10.798 1.00 0.00 H new ATOM 283 N SER A 170 2.809 -9.980 11.381 1.00 0.00 N ATOM 284 CA SER A 170 1.422 -9.533 11.337 1.00 0.00 C ATOM 285 C SER A 170 1.338 -8.010 11.384 1.00 0.00 C ATOM 286 O SER A 170 2.115 -7.357 12.082 1.00 0.00 O ATOM 287 CB SER A 170 0.631 -10.135 12.499 1.00 0.00 C ATOM 288 OG SER A 170 1.030 -9.566 13.735 1.00 0.00 O ATOM 0 H SER A 170 3.172 -10.139 12.321 1.00 0.00 H new ATOM 0 HA SER A 170 0.988 -9.874 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.435 -9.966 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.782 -11.214 12.526 1.00 0.00 H new ATOM 0 HG SER A 170 0.509 -9.966 14.462 1.00 0.00 H new ATOM 294 N GLY A 171 0.390 -7.453 10.638 1.00 0.00 N ATOM 295 CA GLY A 171 0.223 -6.011 10.608 1.00 0.00 C ATOM 296 C GLY A 171 0.722 -5.399 9.316 1.00 0.00 C ATOM 297 O GLY A 171 0.183 -4.396 8.846 1.00 0.00 O ATOM 0 H GLY A 171 -0.265 -7.973 10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.831 -5.767 10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 171 0.759 -5.568 11.447 1.00 0.00 H new ATOM 301 N GLU A 172 1.754 -6.002 8.737 1.00 0.00 N ATOM 302 CA GLU A 172 2.327 -5.508 7.489 1.00 0.00 C ATOM 303 C GLU A 172 1.662 -6.172 6.288 1.00 0.00 C ATOM 304 O GLU A 172 1.466 -7.387 6.268 1.00 0.00 O ATOM 305 CB GLU A 172 3.834 -5.762 7.462 1.00 0.00 C ATOM 306 CG GLU A 172 4.562 -5.221 8.681 1.00 0.00 C ATOM 307 CD GLU A 172 5.728 -6.095 9.100 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.506 -6.511 8.215 1.00 0.00 O ATOM 309 OE2 GLU A 172 5.863 -6.365 10.311 1.00 0.00 O ATOM 0 H GLU A 172 2.211 -6.833 9.111 1.00 0.00 H new ATOM 0 HA GLU A 172 2.147 -4.434 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.012 -6.835 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.255 -5.307 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.925 -4.216 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 172 3.860 -5.136 9.511 1.00 0.00 H new ATOM 316 N LEU A 173 1.307 -5.367 5.292 1.00 0.00 N ATOM 317 CA LEU A 173 0.654 -5.882 4.094 1.00 0.00 C ATOM 318 C LEU A 173 1.678 -6.467 3.120 1.00 0.00 C ATOM 319 O LEU A 173 2.813 -5.995 3.043 1.00 0.00 O ATOM 320 CB LEU A 173 -0.178 -4.776 3.421 1.00 0.00 C ATOM 321 CG LEU A 173 0.070 -4.549 1.926 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.636 -5.613 1.101 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.392 -3.160 1.516 1.00 0.00 C ATOM 0 H LEU A 173 1.460 -4.359 5.290 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.019 -6.687 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.233 -5.010 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.012 -3.839 3.945 1.00 0.00 H new ATOM 0 HG LEU A 173 1.141 -4.625 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.449 -5.436 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.258 -6.597 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -1.708 -5.570 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.209 -3.015 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.458 -3.057 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.159 -2.411 2.084 1.00 0.00 H new ATOM 335 N ALA A 174 1.266 -7.485 2.374 1.00 0.00 N ATOM 336 CA ALA A 174 2.142 -8.124 1.398 1.00 0.00 C ATOM 337 C ALA A 174 1.822 -7.633 -0.009 1.00 0.00 C ATOM 338 O ALA A 174 0.750 -7.911 -0.543 1.00 0.00 O ATOM 339 CB ALA A 174 2.011 -9.637 1.478 1.00 0.00 C ATOM 0 H ALA A 174 0.330 -7.887 2.426 1.00 0.00 H new ATOM 0 HA ALA A 174 3.172 -7.854 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.671 -10.099 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.288 -9.974 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.980 -9.924 1.271 1.00 0.00 H new ATOM 345 N PHE A 175 2.754 -6.893 -0.602 1.00 0.00 N ATOM 346 CA PHE A 175 2.559 -6.356 -1.944 1.00 0.00 C ATOM 347 C PHE A 175 3.730 -6.707 -2.856 1.00 0.00 C ATOM 348 O PHE A 175 4.812 -7.061 -2.389 1.00 0.00 O ATOM 349 CB PHE A 175 2.383 -4.839 -1.886 1.00 0.00 C ATOM 350 CG PHE A 175 3.476 -4.135 -1.130 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.556 -4.235 0.249 1.00 0.00 C ATOM 352 CD2 PHE A 175 4.418 -3.371 -1.801 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.558 -3.588 0.947 1.00 0.00 C ATOM 354 CE2 PHE A 175 5.423 -2.724 -1.108 1.00 0.00 C ATOM 355 CZ PHE A 175 5.494 -2.830 0.267 1.00 0.00 C ATOM 0 H PHE A 175 3.649 -6.652 -0.176 1.00 0.00 H new ATOM 0 HA PHE A 175 1.657 -6.808 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.345 -4.447 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.425 -4.610 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.827 -4.825 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 175 4.366 -3.281 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.610 -3.674 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 175 6.154 -2.135 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 175 6.278 -2.323 0.810 1.00 0.00 H new ATOM 365 N LYS A 176 3.501 -6.601 -4.161 1.00 0.00 N ATOM 366 CA LYS A 176 4.531 -6.897 -5.148 1.00 0.00 C ATOM 367 C LYS A 176 4.859 -5.658 -5.974 1.00 0.00 C ATOM 368 O LYS A 176 4.460 -4.547 -5.625 1.00 0.00 O ATOM 369 CB LYS A 176 4.073 -8.033 -6.067 1.00 0.00 C ATOM 370 CG LYS A 176 3.449 -9.202 -5.324 1.00 0.00 C ATOM 371 CD LYS A 176 4.501 -10.047 -4.626 1.00 0.00 C ATOM 372 CE LYS A 176 5.042 -11.133 -5.542 1.00 0.00 C ATOM 373 NZ LYS A 176 6.166 -11.879 -4.915 1.00 0.00 N ATOM 0 H LYS A 176 2.608 -6.311 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 176 5.432 -7.209 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 176 3.351 -7.641 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.928 -8.392 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 176 2.736 -8.828 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 176 2.889 -9.822 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 176 5.320 -9.409 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 176 4.070 -10.503 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 176 4.241 -11.828 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 176 5.380 -10.685 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 6.506 -12.610 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 6.941 -11.221 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 5.837 -12.328 -4.037 1.00 0.00 H new ATOM 387 N ARG A 177 5.589 -5.853 -7.067 1.00 0.00 N ATOM 388 CA ARG A 177 5.965 -4.747 -7.939 1.00 0.00 C ATOM 389 C ARG A 177 4.812 -4.358 -8.859 1.00 0.00 C ATOM 390 O ARG A 177 4.168 -5.215 -9.461 1.00 0.00 O ATOM 391 CB ARG A 177 7.196 -5.116 -8.768 1.00 0.00 C ATOM 392 CG ARG A 177 8.401 -4.231 -8.492 1.00 0.00 C ATOM 393 CD ARG A 177 9.706 -4.974 -8.733 1.00 0.00 C ATOM 394 NE ARG A 177 10.118 -4.917 -10.133 1.00 0.00 N ATOM 395 CZ ARG A 177 10.491 -3.800 -10.752 1.00 0.00 C ATOM 396 NH1 ARG A 177 10.506 -2.645 -10.099 1.00 0.00 N ATOM 397 NH2 ARG A 177 10.852 -3.838 -12.027 1.00 0.00 N ATOM 0 H ARG A 177 5.931 -6.765 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 177 6.205 -3.890 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.463 -6.153 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.944 -5.053 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.360 -3.349 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.367 -3.879 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.488 -4.545 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.592 -6.015 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 177 10.120 -5.785 -10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.231 -2.610 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 177 10.793 -1.792 -10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 177 10.844 -4.723 -12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 177 11.138 -2.982 -12.502 1.00 0.00 H new ATOM 411 N GLY A 178 4.559 -3.057 -8.956 1.00 0.00 N ATOM 412 CA GLY A 178 3.483 -2.572 -9.798 1.00 0.00 C ATOM 413 C GLY A 178 2.127 -3.087 -9.357 1.00 0.00 C ATOM 414 O GLY A 178 1.162 -3.050 -10.121 1.00 0.00 O ATOM 0 H GLY A 178 5.081 -2.330 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.477 -1.482 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.666 -2.876 -10.829 1.00 0.00 H new ATOM 418 N ASP A 179 2.055 -3.570 -8.121 1.00 0.00 N ATOM 419 CA ASP A 179 0.814 -4.094 -7.575 1.00 0.00 C ATOM 420 C ASP A 179 -0.094 -2.963 -7.110 1.00 0.00 C ATOM 421 O ASP A 179 0.239 -2.227 -6.182 1.00 0.00 O ATOM 422 CB ASP A 179 1.114 -5.042 -6.412 1.00 0.00 C ATOM 423 CG ASP A 179 -0.124 -5.766 -5.918 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.239 -5.387 -6.334 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.024 -6.712 -5.117 1.00 0.00 O ATOM 0 H ASP A 179 2.846 -3.608 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 179 0.297 -4.645 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.858 -5.774 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.552 -4.476 -5.590 1.00 0.00 H new ATOM 430 N VAL A 180 -1.244 -2.827 -7.763 1.00 0.00 N ATOM 431 CA VAL A 180 -2.200 -1.783 -7.413 1.00 0.00 C ATOM 432 C VAL A 180 -2.840 -2.067 -6.060 1.00 0.00 C ATOM 433 O VAL A 180 -3.719 -2.920 -5.945 1.00 0.00 O ATOM 434 CB VAL A 180 -3.308 -1.647 -8.478 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.034 -0.319 -8.329 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.731 -1.793 -9.877 1.00 0.00 C ATOM 0 H VAL A 180 -1.536 -3.425 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.645 -0.846 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.030 -2.449 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.812 -0.242 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.487 -0.261 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.324 0.499 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.530 -1.694 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.984 -1.017 -10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.265 -2.773 -9.978 1.00 0.00 H new ATOM 446 N ILE A 181 -2.389 -1.350 -5.034 1.00 0.00 N ATOM 447 CA ILE A 181 -2.914 -1.535 -3.686 1.00 0.00 C ATOM 448 C ILE A 181 -3.965 -0.482 -3.346 1.00 0.00 C ATOM 449 O ILE A 181 -3.861 0.671 -3.762 1.00 0.00 O ATOM 450 CB ILE A 181 -1.791 -1.479 -2.632 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.645 -2.416 -3.024 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.333 -1.842 -1.258 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.687 -2.020 -2.426 1.00 0.00 C ATOM 0 H ILE A 181 -1.663 -0.638 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.377 -2.522 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.404 -0.461 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.890 -3.430 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.556 -2.434 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.527 -1.798 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.117 -1.138 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.744 -2.851 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.453 -2.726 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.954 -1.018 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.615 -2.029 -1.338 1.00 0.00 H new ATOM 465 N THR A 182 -4.971 -0.891 -2.581 1.00 0.00 N ATOM 466 CA THR A 182 -6.042 0.012 -2.174 1.00 0.00 C ATOM 467 C THR A 182 -5.733 0.627 -0.814 1.00 0.00 C ATOM 468 O THR A 182 -5.997 0.025 0.226 1.00 0.00 O ATOM 469 CB THR A 182 -7.375 -0.734 -2.115 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.499 -1.628 -3.207 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.577 0.186 -2.137 1.00 0.00 C ATOM 0 H THR A 182 -5.068 -1.844 -2.230 1.00 0.00 H new ATOM 0 HA THR A 182 -6.116 0.810 -2.913 1.00 0.00 H new ATOM 0 HB THR A 182 -7.364 -1.269 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.988 -1.190 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.490 -0.407 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.538 0.856 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.570 0.772 -3.056 1.00 0.00 H new ATOM 479 N LEU A 183 -5.163 1.829 -0.827 1.00 0.00 N ATOM 480 CA LEU A 183 -4.809 2.524 0.408 1.00 0.00 C ATOM 481 C LEU A 183 -5.953 2.496 1.417 1.00 0.00 C ATOM 482 O LEU A 183 -7.067 2.926 1.121 1.00 0.00 O ATOM 483 CB LEU A 183 -4.417 3.971 0.109 1.00 0.00 C ATOM 484 CG LEU A 183 -3.828 4.737 1.297 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.543 4.076 1.775 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.576 6.187 0.919 1.00 0.00 C ATOM 0 H LEU A 183 -4.936 2.342 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.959 2.001 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.691 3.975 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.298 4.505 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.548 4.714 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.139 4.634 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.754 3.052 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.815 4.068 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.157 6.718 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.874 6.229 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.516 6.655 0.626 1.00 0.00 H new ATOM 498 N ILE A 184 -5.662 1.992 2.612 1.00 0.00 N ATOM 499 CA ILE A 184 -6.658 1.913 3.673 1.00 0.00 C ATOM 500 C ILE A 184 -6.656 3.189 4.509 1.00 0.00 C ATOM 501 O ILE A 184 -7.708 3.686 4.908 1.00 0.00 O ATOM 502 CB ILE A 184 -6.402 0.710 4.602 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.277 -0.581 3.792 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.515 0.584 5.634 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.604 -1.703 4.551 1.00 0.00 C ATOM 0 H ILE A 184 -4.743 1.632 2.869 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.628 1.787 3.191 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.462 0.879 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.271 -0.906 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.712 -0.377 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.317 -0.271 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.558 1.492 6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.468 0.441 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.548 -2.588 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.597 -1.397 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.181 -1.933 5.447 1.00 0.00 H new ATOM 517 N ASN A 185 -5.462 3.713 4.771 1.00 0.00 N ATOM 518 CA ASN A 185 -5.315 4.931 5.558 1.00 0.00 C ATOM 519 C ASN A 185 -3.847 5.337 5.663 1.00 0.00 C ATOM 520 O ASN A 185 -2.958 4.600 5.240 1.00 0.00 O ATOM 521 CB ASN A 185 -5.904 4.736 6.957 1.00 0.00 C ATOM 522 CG ASN A 185 -5.496 3.414 7.578 1.00 0.00 C ATOM 523 OD1 ASN A 185 -6.317 2.509 7.732 1.00 0.00 O ATOM 524 ND2 ASN A 185 -4.225 3.297 7.939 1.00 0.00 N ATOM 0 H ASN A 185 -4.581 3.312 4.449 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.859 5.728 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.579 5.553 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.991 4.787 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -3.893 2.431 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -3.580 4.073 7.792 1.00 0.00 H new ATOM 531 N LYS A 186 -3.603 6.515 6.230 1.00 0.00 N ATOM 532 CA LYS A 186 -2.246 7.019 6.392 1.00 0.00 C ATOM 533 C LYS A 186 -1.966 7.361 7.854 1.00 0.00 C ATOM 534 O LYS A 186 -1.628 8.498 8.182 1.00 0.00 O ATOM 535 CB LYS A 186 -2.030 8.257 5.519 1.00 0.00 C ATOM 536 CG LYS A 186 -1.803 7.933 4.052 1.00 0.00 C ATOM 537 CD LYS A 186 -1.871 9.184 3.189 1.00 0.00 C ATOM 538 CE LYS A 186 -3.295 9.698 3.066 1.00 0.00 C ATOM 539 NZ LYS A 186 -3.377 10.898 2.189 1.00 0.00 N ATOM 0 H LYS A 186 -4.329 7.138 6.585 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.555 6.237 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.898 8.911 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.172 8.813 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.830 7.457 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.553 7.216 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.239 9.960 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.475 8.965 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -3.932 8.910 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.679 9.945 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -4.365 11.218 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -2.789 11.659 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.035 10.656 1.237 1.00 0.00 H new ATOM 553 N ASP A 187 -2.104 6.367 8.723 1.00 0.00 N ATOM 554 CA ASP A 187 -1.866 6.566 10.149 1.00 0.00 C ATOM 555 C ASP A 187 -0.434 7.025 10.407 1.00 0.00 C ATOM 556 O ASP A 187 -0.136 7.600 11.453 1.00 0.00 O ATOM 557 CB ASP A 187 -2.146 5.273 10.917 1.00 0.00 C ATOM 558 CG ASP A 187 -1.403 4.084 10.339 1.00 0.00 C ATOM 559 OD1 ASP A 187 -0.228 4.251 9.949 1.00 0.00 O ATOM 560 OD2 ASP A 187 -1.996 2.987 10.278 1.00 0.00 O ATOM 0 H ASP A 187 -2.378 5.418 8.468 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.544 7.345 10.499 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.860 5.404 11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.217 5.070 10.903 1.00 0.00 H new ATOM 565 N ASP A 188 0.451 6.771 9.445 1.00 0.00 N ATOM 566 CA ASP A 188 1.851 7.163 9.573 1.00 0.00 C ATOM 567 C ASP A 188 2.353 7.800 8.278 1.00 0.00 C ATOM 568 O ASP A 188 2.347 7.163 7.226 1.00 0.00 O ATOM 569 CB ASP A 188 2.710 5.948 9.926 1.00 0.00 C ATOM 570 CG ASP A 188 4.166 6.309 10.150 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.506 7.507 10.040 1.00 0.00 O ATOM 572 OD2 ASP A 188 4.969 5.395 10.436 1.00 0.00 O ATOM 0 H ASP A 188 0.223 6.297 8.571 1.00 0.00 H new ATOM 0 HA ASP A 188 1.929 7.898 10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.314 5.476 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.641 5.213 9.124 1.00 0.00 H new ATOM 577 N PRO A 189 2.796 9.072 8.334 1.00 0.00 N ATOM 578 CA PRO A 189 3.297 9.789 7.158 1.00 0.00 C ATOM 579 C PRO A 189 4.194 8.929 6.273 1.00 0.00 C ATOM 580 O PRO A 189 4.267 9.137 5.061 1.00 0.00 O ATOM 581 CB PRO A 189 4.094 10.936 7.776 1.00 0.00 C ATOM 582 CG PRO A 189 3.390 11.229 9.055 1.00 0.00 C ATOM 583 CD PRO A 189 2.840 9.912 9.549 1.00 0.00 C ATOM 0 HA PRO A 189 2.489 10.107 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.132 10.651 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.109 11.808 7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.074 11.663 9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.589 11.951 8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.479 9.474 10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 189 1.850 10.031 9.989 1.00 0.00 H new ATOM 591 N ASN A 190 4.877 7.964 6.880 1.00 0.00 N ATOM 592 CA ASN A 190 5.768 7.079 6.138 1.00 0.00 C ATOM 593 C ASN A 190 5.116 5.728 5.880 1.00 0.00 C ATOM 594 O ASN A 190 5.161 5.206 4.767 1.00 0.00 O ATOM 595 CB ASN A 190 7.078 6.877 6.902 1.00 0.00 C ATOM 596 CG ASN A 190 8.066 7.994 6.650 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.325 8.822 7.524 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.627 8.022 5.447 1.00 0.00 N ATOM 0 H ASN A 190 4.831 7.775 7.881 1.00 0.00 H new ATOM 0 HA ASN A 190 5.977 7.552 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.868 6.815 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.524 5.927 6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.303 8.750 5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.382 7.315 4.754 1.00 0.00 H new ATOM 605 N TRP A 191 4.515 5.164 6.920 1.00 0.00 N ATOM 606 CA TRP A 191 3.862 3.867 6.814 1.00 0.00 C ATOM 607 C TRP A 191 2.383 4.017 6.484 1.00 0.00 C ATOM 608 O TRP A 191 1.594 4.474 7.313 1.00 0.00 O ATOM 609 CB TRP A 191 4.035 3.081 8.114 1.00 0.00 C ATOM 610 CG TRP A 191 5.350 2.368 8.200 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.588 2.940 8.241 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.556 0.953 8.249 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.553 1.966 8.313 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.945 0.737 8.319 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.703 -0.153 8.240 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.498 -0.540 8.380 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.252 -1.420 8.302 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.639 -1.604 8.371 1.00 0.00 C ATOM 0 H TRP A 191 4.467 5.586 7.847 1.00 0.00 H new ATOM 0 HA TRP A 191 4.335 3.319 5.999 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.943 3.763 8.959 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.228 2.354 8.202 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.781 4.002 8.220 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.559 2.130 8.355 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.633 -0.020 8.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.567 -0.685 8.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.601 -2.282 8.297 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.038 -2.606 8.418 1.00 0.00 H new ATOM 629 N TRP A 192 2.015 3.629 5.270 1.00 0.00 N ATOM 630 CA TRP A 192 0.630 3.716 4.825 1.00 0.00 C ATOM 631 C TRP A 192 -0.018 2.337 4.801 1.00 0.00 C ATOM 632 O TRP A 192 0.616 1.347 4.437 1.00 0.00 O ATOM 633 CB TRP A 192 0.558 4.343 3.432 1.00 0.00 C ATOM 634 CG TRP A 192 0.931 5.794 3.407 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.421 6.536 4.442 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.846 6.678 2.285 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.648 7.827 4.032 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.301 7.940 2.711 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.428 6.526 0.958 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.352 9.038 1.859 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.479 7.619 0.114 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.939 8.862 0.568 1.00 0.00 C ATOM 0 H TRP A 192 2.658 3.250 4.574 1.00 0.00 H new ATOM 0 HA TRP A 192 0.087 4.346 5.530 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.220 3.795 2.761 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.454 4.230 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.604 6.162 5.439 1.00 0.00 H new ATOM 0 HE1 TRP A 192 2.015 8.579 4.615 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.072 5.571 0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.706 9.998 2.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.159 7.513 -0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.968 9.698 -0.116 1.00 0.00 H new ATOM 653 N GLU A 193 -1.289 2.282 5.178 1.00 0.00 N ATOM 654 CA GLU A 193 -2.028 1.028 5.187 1.00 0.00 C ATOM 655 C GLU A 193 -2.698 0.811 3.836 1.00 0.00 C ATOM 656 O GLU A 193 -3.156 1.765 3.207 1.00 0.00 O ATOM 657 CB GLU A 193 -3.074 1.035 6.304 1.00 0.00 C ATOM 658 CG GLU A 193 -3.610 -0.345 6.647 1.00 0.00 C ATOM 659 CD GLU A 193 -3.399 -0.708 8.105 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.406 0.210 8.953 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.227 -1.909 8.399 1.00 0.00 O ATOM 0 H GLU A 193 -1.829 3.092 5.482 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.332 0.210 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.635 1.477 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.905 1.675 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.675 -0.384 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.120 -1.088 6.017 1.00 0.00 H new ATOM 668 N GLY A 194 -2.745 -0.437 3.383 1.00 0.00 N ATOM 669 CA GLY A 194 -3.356 -0.721 2.095 1.00 0.00 C ATOM 670 C GLY A 194 -4.088 -2.048 2.060 1.00 0.00 C ATOM 671 O GLY A 194 -3.820 -2.938 2.866 1.00 0.00 O ATOM 0 H GLY A 194 -2.376 -1.250 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.055 0.078 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.584 -0.719 1.326 1.00 0.00 H new ATOM 675 N GLN A 195 -5.020 -2.172 1.120 1.00 0.00 N ATOM 676 CA GLN A 195 -5.806 -3.390 0.971 1.00 0.00 C ATOM 677 C GLN A 195 -5.776 -3.894 -0.465 1.00 0.00 C ATOM 678 O GLN A 195 -6.380 -3.294 -1.358 1.00 0.00 O ATOM 679 CB GLN A 195 -7.249 -3.139 1.393 1.00 0.00 C ATOM 680 CG GLN A 195 -7.940 -4.370 1.960 1.00 0.00 C ATOM 681 CD GLN A 195 -8.988 -4.933 1.021 1.00 0.00 C ATOM 682 OE1 GLN A 195 -8.845 -4.867 -0.201 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.052 -5.494 1.588 1.00 0.00 N ATOM 0 H GLN A 195 -5.249 -1.440 0.448 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.365 -4.152 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.268 -2.346 2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.813 -2.780 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.194 -5.137 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -8.409 -4.114 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -10.130 -5.527 2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.790 -5.891 1.006 1.00 0.00 H new ATOM 692 N LEU A 196 -5.082 -5.003 -0.685 1.00 0.00 N ATOM 693 CA LEU A 196 -4.989 -5.593 -2.016 1.00 0.00 C ATOM 694 C LEU A 196 -6.137 -6.568 -2.242 1.00 0.00 C ATOM 695 O LEU A 196 -5.952 -7.784 -2.188 1.00 0.00 O ATOM 696 CB LEU A 196 -3.648 -6.309 -2.189 1.00 0.00 C ATOM 697 CG LEU A 196 -2.518 -5.440 -2.744 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.200 -6.202 -2.728 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.847 -4.973 -4.153 1.00 0.00 C ATOM 0 H LEU A 196 -4.576 -5.512 0.039 1.00 0.00 H new ATOM 0 HA LEU A 196 -5.056 -4.794 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -3.339 -6.707 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.791 -7.161 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.415 -4.562 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.408 -5.568 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.957 -6.486 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.290 -7.098 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.032 -4.356 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -2.978 -5.839 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -3.767 -4.389 -4.137 1.00 0.00 H new ATOM 711 N ASN A 197 -7.328 -6.027 -2.482 1.00 0.00 N ATOM 712 CA ASN A 197 -8.518 -6.844 -2.703 1.00 0.00 C ATOM 713 C ASN A 197 -8.997 -7.454 -1.392 1.00 0.00 C ATOM 714 O ASN A 197 -10.106 -7.178 -0.931 1.00 0.00 O ATOM 715 CB ASN A 197 -8.237 -7.952 -3.725 1.00 0.00 C ATOM 716 CG ASN A 197 -7.462 -7.446 -4.927 1.00 0.00 C ATOM 717 OD1 ASN A 197 -6.233 -7.478 -4.946 1.00 0.00 O ATOM 718 ND2 ASN A 197 -8.182 -6.977 -5.941 1.00 0.00 N ATOM 0 H ASN A 197 -7.495 -5.022 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 197 -9.302 -6.198 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -7.675 -8.752 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -9.181 -8.382 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -7.716 -6.625 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -9.200 -6.969 -5.883 1.00 0.00 H new ATOM 725 N ASN A 198 -8.148 -8.278 -0.792 1.00 0.00 N ATOM 726 CA ASN A 198 -8.470 -8.927 0.473 1.00 0.00 C ATOM 727 C ASN A 198 -7.216 -9.090 1.328 1.00 0.00 C ATOM 728 O ASN A 198 -7.113 -10.024 2.122 1.00 0.00 O ATOM 729 CB ASN A 198 -9.113 -10.291 0.222 1.00 0.00 C ATOM 730 CG ASN A 198 -8.331 -11.125 -0.773 1.00 0.00 C ATOM 731 OD1 ASN A 198 -7.143 -11.383 -0.587 1.00 0.00 O ATOM 732 ND2 ASN A 198 -8.999 -11.550 -1.841 1.00 0.00 N ATOM 0 H ASN A 198 -7.227 -8.514 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.178 -8.296 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.189 -10.832 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -10.129 -10.148 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -8.526 -12.114 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -9.984 -11.312 -1.954 1.00 0.00 H new ATOM 739 N ARG A 199 -6.264 -8.175 1.157 1.00 0.00 N ATOM 740 CA ARG A 199 -5.017 -8.223 1.910 1.00 0.00 C ATOM 741 C ARG A 199 -4.721 -6.880 2.571 1.00 0.00 C ATOM 742 O ARG A 199 -4.191 -5.970 1.935 1.00 0.00 O ATOM 743 CB ARG A 199 -3.849 -8.610 0.995 1.00 0.00 C ATOM 744 CG ARG A 199 -4.206 -9.640 -0.068 1.00 0.00 C ATOM 745 CD ARG A 199 -3.602 -11.001 0.240 1.00 0.00 C ATOM 746 NE ARG A 199 -4.615 -11.967 0.662 1.00 0.00 N ATOM 747 CZ ARG A 199 -5.075 -12.065 1.906 1.00 0.00 C ATOM 748 NH1 ARG A 199 -4.622 -11.257 2.857 1.00 0.00 N ATOM 749 NH2 ARG A 199 -5.996 -12.972 2.203 1.00 0.00 N ATOM 0 H ARG A 199 -6.334 -7.394 0.505 1.00 0.00 H new ATOM 0 HA ARG A 199 -5.131 -8.978 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.473 -7.712 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -3.037 -9.002 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.290 -9.731 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.852 -9.297 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -3.088 -11.378 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -2.852 -10.896 1.024 1.00 0.00 H new ATOM 0 HE ARG A 199 -4.992 -12.604 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.916 -10.555 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -4.980 -11.339 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -6.351 -13.594 1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -6.349 -13.047 3.157 1.00 0.00 H new ATOM 763 N ARG A 200 -5.061 -6.765 3.852 1.00 0.00 N ATOM 764 CA ARG A 200 -4.823 -5.535 4.598 1.00 0.00 C ATOM 765 C ARG A 200 -3.447 -5.566 5.249 1.00 0.00 C ATOM 766 O ARG A 200 -2.942 -6.632 5.596 1.00 0.00 O ATOM 767 CB ARG A 200 -5.896 -5.343 5.670 1.00 0.00 C ATOM 768 CG ARG A 200 -7.104 -4.557 5.187 1.00 0.00 C ATOM 769 CD ARG A 200 -8.357 -5.416 5.159 1.00 0.00 C ATOM 770 NE ARG A 200 -9.573 -4.610 5.066 1.00 0.00 N ATOM 771 CZ ARG A 200 -10.801 -5.121 5.040 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.983 -6.434 5.102 1.00 0.00 N ATOM 773 NH2 ARG A 200 -11.852 -4.315 4.955 1.00 0.00 N ATOM 0 H ARG A 200 -5.502 -7.508 4.394 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.867 -4.699 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.226 -6.321 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.456 -4.829 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.265 -3.699 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.908 -4.166 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.309 -6.099 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.396 -6.029 6.060 1.00 0.00 H new ATOM 0 HE ARG A 200 -9.474 -3.596 5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.179 -7.058 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -11.927 -6.820 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.718 -3.305 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -12.794 -4.706 4.935 1.00 0.00 H new ATOM 787 N GLY A 201 -2.841 -4.394 5.414 1.00 0.00 N ATOM 788 CA GLY A 201 -1.527 -4.336 6.024 1.00 0.00 C ATOM 789 C GLY A 201 -0.905 -2.954 5.969 1.00 0.00 C ATOM 790 O GLY A 201 -1.334 -2.103 5.189 1.00 0.00 O ATOM 0 H GLY A 201 -3.232 -3.493 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.602 -4.653 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.868 -5.044 5.522 1.00 0.00 H new ATOM 794 N ILE A 202 0.117 -2.734 6.791 1.00 0.00 N ATOM 795 CA ILE A 202 0.811 -1.452 6.828 1.00 0.00 C ATOM 796 C ILE A 202 2.225 -1.583 6.281 1.00 0.00 C ATOM 797 O ILE A 202 2.861 -2.628 6.420 1.00 0.00 O ATOM 798 CB ILE A 202 0.886 -0.883 8.257 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.418 -1.943 9.225 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.478 -0.383 8.704 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.365 -1.388 10.267 1.00 0.00 C ATOM 0 H ILE A 202 0.483 -3.429 7.442 1.00 0.00 H new ATOM 0 HA ILE A 202 0.235 -0.768 6.205 1.00 0.00 H new ATOM 0 HB ILE A 202 1.575 -0.039 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.576 -2.420 9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 202 1.931 -2.719 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.406 0.015 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.817 0.402 8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.191 -1.208 8.689 1.00 0.00 H new ATOM 0 HD11 ILE A 202 2.702 -2.194 10.918 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.225 -0.936 9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 202 1.850 -0.633 10.861 1.00 0.00 H new ATOM 813 N PHE A 203 2.718 -0.518 5.659 1.00 0.00 N ATOM 814 CA PHE A 203 4.062 -0.522 5.094 1.00 0.00 C ATOM 815 C PHE A 203 4.476 0.877 4.655 1.00 0.00 C ATOM 816 O PHE A 203 3.636 1.762 4.498 1.00 0.00 O ATOM 817 CB PHE A 203 4.127 -1.473 3.901 1.00 0.00 C ATOM 818 CG PHE A 203 3.261 -1.041 2.753 1.00 0.00 C ATOM 819 CD1 PHE A 203 1.883 -0.983 2.893 1.00 0.00 C ATOM 820 CD2 PHE A 203 3.821 -0.689 1.537 1.00 0.00 C ATOM 821 CE1 PHE A 203 1.080 -0.583 1.842 1.00 0.00 C ATOM 822 CE2 PHE A 203 3.025 -0.289 0.482 1.00 0.00 C ATOM 823 CZ PHE A 203 1.652 -0.237 0.634 1.00 0.00 C ATOM 0 H PHE A 203 2.209 0.357 5.533 1.00 0.00 H new ATOM 0 HA PHE A 203 4.751 -0.860 5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 203 5.160 -1.548 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.824 -2.470 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 203 1.431 -1.254 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 203 4.893 -0.728 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 203 0.008 -0.541 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 203 3.475 -0.017 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 203 1.028 0.074 -0.191 1.00 0.00 H new ATOM 833 N PRO A 204 5.785 1.091 4.437 1.00 0.00 N ATOM 834 CA PRO A 204 6.308 2.386 3.999 1.00 0.00 C ATOM 835 C PRO A 204 5.811 2.747 2.604 1.00 0.00 C ATOM 836 O PRO A 204 6.186 2.108 1.620 1.00 0.00 O ATOM 837 CB PRO A 204 7.831 2.190 3.992 1.00 0.00 C ATOM 838 CG PRO A 204 8.073 0.943 4.779 1.00 0.00 C ATOM 839 CD PRO A 204 6.853 0.094 4.586 1.00 0.00 C ATOM 0 HA PRO A 204 5.985 3.199 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.210 2.093 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.339 3.043 4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.967 0.427 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.228 1.170 5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.938 -0.543 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.678 -0.563 5.438 1.00 0.00 H new ATOM 847 N SER A 205 4.961 3.765 2.523 1.00 0.00 N ATOM 848 CA SER A 205 4.413 4.198 1.242 1.00 0.00 C ATOM 849 C SER A 205 5.523 4.541 0.254 1.00 0.00 C ATOM 850 O SER A 205 5.309 4.542 -0.957 1.00 0.00 O ATOM 851 CB SER A 205 3.493 5.401 1.434 1.00 0.00 C ATOM 852 OG SER A 205 3.900 6.186 2.541 1.00 0.00 O ATOM 0 H SER A 205 4.637 4.304 3.326 1.00 0.00 H new ATOM 0 HA SER A 205 3.835 3.371 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.496 6.012 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.469 5.059 1.584 1.00 0.00 H new ATOM 0 HG SER A 205 3.110 6.544 2.996 1.00 0.00 H new ATOM 858 N ASN A 206 6.712 4.824 0.775 1.00 0.00 N ATOM 859 CA ASN A 206 7.852 5.158 -0.068 1.00 0.00 C ATOM 860 C ASN A 206 8.171 4.020 -1.038 1.00 0.00 C ATOM 861 O ASN A 206 8.899 4.213 -2.013 1.00 0.00 O ATOM 862 CB ASN A 206 9.074 5.469 0.795 1.00 0.00 C ATOM 863 CG ASN A 206 9.565 6.886 0.620 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.000 7.667 -0.145 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.626 7.225 1.337 1.00 0.00 N ATOM 0 H ASN A 206 6.910 4.829 1.776 1.00 0.00 H new ATOM 0 HA ASN A 206 7.593 6.041 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.826 5.302 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.877 4.777 0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.008 8.168 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.061 6.543 1.958 1.00 0.00 H new ATOM 872 N TYR A 207 7.629 2.831 -0.770 1.00 0.00 N ATOM 873 CA TYR A 207 7.866 1.675 -1.624 1.00 0.00 C ATOM 874 C TYR A 207 6.802 1.555 -2.715 1.00 0.00 C ATOM 875 O TYR A 207 6.597 0.477 -3.268 1.00 0.00 O ATOM 876 CB TYR A 207 7.884 0.398 -0.780 1.00 0.00 C ATOM 877 CG TYR A 207 9.270 -0.155 -0.546 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.328 0.682 -0.216 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.523 -1.516 -0.656 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.598 0.180 -0.002 1.00 0.00 C ATOM 881 CE2 TYR A 207 10.790 -2.029 -0.443 1.00 0.00 C ATOM 882 CZ TYR A 207 11.822 -1.176 -0.115 1.00 0.00 C ATOM 883 OH TYR A 207 13.085 -1.680 0.098 1.00 0.00 O ATOM 0 H TYR A 207 7.025 2.647 0.031 1.00 0.00 H new ATOM 0 HA TYR A 207 8.833 1.811 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.417 0.603 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.278 -0.362 -1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.155 1.744 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 207 8.716 -2.186 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.410 0.846 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 207 10.969 -3.090 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 207 13.073 -2.653 -0.019 1.00 0.00 H new ATOM 893 N VAL A 208 6.126 2.659 -3.018 1.00 0.00 N ATOM 894 CA VAL A 208 5.087 2.647 -4.042 1.00 0.00 C ATOM 895 C VAL A 208 4.966 3.998 -4.739 1.00 0.00 C ATOM 896 O VAL A 208 5.786 4.894 -4.537 1.00 0.00 O ATOM 897 CB VAL A 208 3.719 2.254 -3.443 1.00 0.00 C ATOM 898 CG1 VAL A 208 3.855 1.019 -2.568 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.121 3.402 -2.646 1.00 0.00 C ATOM 0 H VAL A 208 6.277 3.565 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 208 5.382 1.901 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 208 3.045 2.026 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 208 2.881 0.757 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.231 0.189 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.551 1.224 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.158 3.097 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.794 3.669 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.981 4.264 -3.298 1.00 0.00 H new ATOM 909 N ALA A 209 3.928 4.133 -5.560 1.00 0.00 N ATOM 910 CA ALA A 209 3.678 5.367 -6.293 1.00 0.00 C ATOM 911 C ALA A 209 2.209 5.459 -6.700 1.00 0.00 C ATOM 912 O ALA A 209 1.727 4.648 -7.491 1.00 0.00 O ATOM 913 CB ALA A 209 4.574 5.443 -7.518 1.00 0.00 C ATOM 0 H ALA A 209 3.244 3.397 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 209 3.908 6.210 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.377 6.370 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.618 5.419 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.371 4.594 -8.171 1.00 0.00 H new ATOM 919 N PRO A 210 1.470 6.446 -6.161 1.00 0.00 N ATOM 920 CA PRO A 210 0.048 6.631 -6.472 1.00 0.00 C ATOM 921 C PRO A 210 -0.260 6.472 -7.956 1.00 0.00 C ATOM 922 O PRO A 210 0.396 7.074 -8.808 1.00 0.00 O ATOM 923 CB PRO A 210 -0.213 8.061 -6.008 1.00 0.00 C ATOM 924 CG PRO A 210 0.706 8.230 -4.850 1.00 0.00 C ATOM 925 CD PRO A 210 1.953 7.463 -5.204 1.00 0.00 C ATOM 0 HA PRO A 210 -0.582 5.884 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.000 8.783 -6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.254 8.204 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.930 9.283 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.257 7.846 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.708 8.109 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.406 7.004 -4.325 1.00 0.00 H new ATOM 933 N TYR A 211 -1.259 5.650 -8.256 1.00 0.00 N ATOM 934 CA TYR A 211 -1.660 5.398 -9.633 1.00 0.00 C ATOM 935 C TYR A 211 -2.791 6.335 -10.045 1.00 0.00 C ATOM 936 O TYR A 211 -2.564 7.332 -10.727 1.00 0.00 O ATOM 937 CB TYR A 211 -2.091 3.936 -9.792 1.00 0.00 C ATOM 938 CG TYR A 211 -2.714 3.621 -11.133 1.00 0.00 C ATOM 939 CD1 TYR A 211 -2.008 3.816 -12.313 1.00 0.00 C ATOM 940 CD2 TYR A 211 -4.008 3.124 -11.218 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.574 3.528 -13.540 1.00 0.00 C ATOM 942 CE2 TYR A 211 -4.582 2.833 -12.440 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.861 3.037 -13.599 1.00 0.00 C ATOM 944 OH TYR A 211 -4.429 2.748 -14.817 1.00 0.00 O ATOM 0 H TYR A 211 -1.808 5.145 -7.560 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.808 5.588 -10.285 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -1.222 3.294 -9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.804 3.690 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.999 4.199 -12.271 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -4.575 2.962 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -2.011 3.687 -14.448 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -5.590 2.448 -12.488 1.00 0.00 H new ATOM 0 HH TYR A 211 -5.339 2.410 -14.682 1.00 0.00 H new ATOM 954 N ASN A 212 -4.009 6.007 -9.623 1.00 0.00 N ATOM 955 CA ASN A 212 -5.178 6.824 -9.951 1.00 0.00 C ATOM 956 C ASN A 212 -6.457 6.221 -9.373 1.00 0.00 C ATOM 957 O ASN A 212 -7.521 6.305 -9.988 1.00 0.00 O ATOM 958 CB ASN A 212 -5.321 6.968 -11.468 1.00 0.00 C ATOM 959 CG ASN A 212 -6.387 7.972 -11.856 1.00 0.00 C ATOM 960 OD1 ASN A 212 -6.641 8.936 -11.134 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.022 7.748 -13.001 1.00 0.00 N ATOM 0 H ASN A 212 -4.214 5.185 -9.055 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.027 7.807 -9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -4.365 7.275 -11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -5.565 5.998 -11.901 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.752 8.388 -13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -6.779 6.936 -13.568 1.00 0.00 H new ATOM 968 N SER A 213 -6.350 5.619 -8.193 1.00 0.00 N ATOM 969 CA SER A 213 -7.502 5.008 -7.538 1.00 0.00 C ATOM 970 C SER A 213 -8.031 3.826 -8.347 1.00 0.00 C ATOM 971 O SER A 213 -7.835 2.670 -7.978 1.00 0.00 O ATOM 972 CB SER A 213 -8.613 6.042 -7.328 1.00 0.00 C ATOM 973 OG SER A 213 -8.132 7.359 -7.538 1.00 0.00 O ATOM 0 H SER A 213 -5.478 5.541 -7.670 1.00 0.00 H new ATOM 0 HA SER A 213 -7.176 4.639 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 213 -9.437 5.839 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 213 -9.010 5.954 -6.317 1.00 0.00 H new ATOM 0 HG SER A 213 -8.861 7.999 -7.399 1.00 0.00 H new ATOM 979 N ASN A 214 -8.700 4.128 -9.452 1.00 0.00 N ATOM 980 CA ASN A 214 -9.258 3.094 -10.316 1.00 0.00 C ATOM 981 C ASN A 214 -8.333 2.814 -11.498 1.00 0.00 C ATOM 982 O ASN A 214 -7.533 3.709 -11.846 1.00 0.00 O ATOM 983 CB ASN A 214 -10.639 3.513 -10.823 1.00 0.00 C ATOM 984 CG ASN A 214 -11.389 2.366 -11.472 1.00 0.00 C ATOM 985 OD1 ASN A 214 -11.741 1.388 -10.813 1.00 0.00 O ATOM 986 ND2 ASN A 214 -11.637 2.481 -12.772 1.00 0.00 N ATOM 987 OXT ASN A 214 -8.416 1.704 -12.063 1.00 0.00 O ATOM 0 H ASN A 214 -8.870 5.081 -9.772 1.00 0.00 H new ATOM 0 HA ASN A 214 -9.356 2.180 -9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -11.226 3.903 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -10.528 4.324 -11.542 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -12.138 1.741 -13.263 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -11.327 3.310 -13.279 1.00 0.00 H new TER 994 ASN A 214