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 Single : A 153 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-1) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) 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= -1.33 X(o=-1.3,f=-1.8) USER MOD Single : A 166 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.2) USER MOD Single : A 168 GLN : amide:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 170 SER OG : rot 180:sc=0.000801 USER MOD Single : A 176 LYS NZ :NH3+ -120:sc= 0.0245 (180deg=-0.0926) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 185 ASN : amide:sc= -6.35! C(o=-6.4!,f=-6.2!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 195 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 197 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.69) USER MOD Single : A 198 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.2) USER MOD Single : A 205 SER OG : rot -148:sc= 0.925 USER MOD Single : A 206 ASN : amide:sc= -2.4 K(o=-2.4,f=-11!) 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= -0.34 X(o=-0.34,f=-0.14) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 214 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -14.856 3.454 3.869 1.00 0.00 N ATOM 2 CA HIS A 153 -14.173 3.797 2.595 1.00 0.00 C ATOM 3 C HIS A 153 -13.857 5.286 2.523 1.00 0.00 C ATOM 4 O HIS A 153 -12.691 5.681 2.488 1.00 0.00 O ATOM 5 CB HIS A 153 -15.080 3.393 1.431 1.00 0.00 C ATOM 6 CG HIS A 153 -14.330 2.990 0.200 1.00 0.00 C ATOM 7 ND1 HIS A 153 -12.962 3.108 0.078 1.00 0.00 N ATOM 8 CD2 HIS A 153 -14.766 2.465 -0.970 1.00 0.00 C ATOM 9 CE1 HIS A 153 -12.587 2.675 -1.113 1.00 0.00 C ATOM 10 NE2 HIS A 153 -13.663 2.278 -1.768 1.00 0.00 N ATOM 0 HA HIS A 153 -13.227 3.258 2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -15.715 2.566 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -15.739 4.227 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -15.790 2.236 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -11.574 2.650 -1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -13.674 1.895 -2.713 1.00 0.00 H new ATOM 21 N MET A 154 -14.902 6.107 2.501 1.00 0.00 N ATOM 22 CA MET A 154 -14.742 7.557 2.434 1.00 0.00 C ATOM 23 C MET A 154 -14.048 7.971 1.139 1.00 0.00 C ATOM 24 O MET A 154 -14.699 8.390 0.183 1.00 0.00 O ATOM 25 CB MET A 154 -13.950 8.063 3.643 1.00 0.00 C ATOM 26 CG MET A 154 -14.720 7.984 4.951 1.00 0.00 C ATOM 27 SD MET A 154 -14.825 6.302 5.594 1.00 0.00 S ATOM 28 CE MET A 154 -13.692 6.396 6.978 1.00 0.00 C ATOM 0 H MET A 154 -15.872 5.793 2.529 1.00 0.00 H new ATOM 0 HA MET A 154 -15.734 8.007 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 154 -13.033 7.481 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 154 -13.655 9.097 3.467 1.00 0.00 H new ATOM 0 HG2 MET A 154 -14.238 8.622 5.691 1.00 0.00 H new ATOM 0 HG3 MET A 154 -15.726 8.375 4.800 1.00 0.00 H new ATOM 0 HE1 MET A 154 -13.648 5.429 7.479 1.00 0.00 H new ATOM 0 HE2 MET A 154 -12.699 6.663 6.618 1.00 0.00 H new ATOM 0 HE3 MET A 154 -14.039 7.153 7.681 1.00 0.00 H new ATOM 38 N GLU A 155 -12.726 7.853 1.117 1.00 0.00 N ATOM 39 CA GLU A 155 -11.944 8.214 -0.061 1.00 0.00 C ATOM 40 C GLU A 155 -11.169 7.014 -0.590 1.00 0.00 C ATOM 41 O GLU A 155 -10.303 6.468 0.096 1.00 0.00 O ATOM 42 CB GLU A 155 -10.978 9.353 0.273 1.00 0.00 C ATOM 43 CG GLU A 155 -11.573 10.736 0.065 1.00 0.00 C ATOM 44 CD GLU A 155 -11.058 11.749 1.067 1.00 0.00 C ATOM 45 OE1 GLU A 155 -11.633 11.835 2.174 1.00 0.00 O ATOM 46 OE2 GLU A 155 -10.080 12.458 0.748 1.00 0.00 O ATOM 0 H GLU A 155 -12.172 7.510 1.902 1.00 0.00 H new ATOM 0 HA GLU A 155 -12.634 8.546 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -10.660 9.256 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -10.085 9.254 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -11.342 11.079 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -12.659 10.675 0.141 1.00 0.00 H new ATOM 53 N THR A 156 -11.484 6.604 -1.814 1.00 0.00 N ATOM 54 CA THR A 156 -10.815 5.466 -2.435 1.00 0.00 C ATOM 55 C THR A 156 -9.537 5.904 -3.138 1.00 0.00 C ATOM 56 O THR A 156 -9.533 6.873 -3.897 1.00 0.00 O ATOM 57 CB THR A 156 -11.751 4.782 -3.433 1.00 0.00 C ATOM 58 OG1 THR A 156 -11.110 3.676 -4.045 1.00 0.00 O ATOM 59 CG2 THR A 156 -12.230 5.703 -4.535 1.00 0.00 C ATOM 0 H THR A 156 -12.198 7.042 -2.396 1.00 0.00 H new ATOM 0 HA THR A 156 -10.551 4.758 -1.649 1.00 0.00 H new ATOM 0 HB THR A 156 -12.614 4.465 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.725 3.251 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 156 -12.890 5.154 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.773 6.541 -4.098 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.373 6.078 -5.094 1.00 0.00 H new ATOM 67 N LYS A 157 -8.449 5.184 -2.882 1.00 0.00 N ATOM 68 CA LYS A 157 -7.162 5.498 -3.492 1.00 0.00 C ATOM 69 C LYS A 157 -6.516 4.247 -4.074 1.00 0.00 C ATOM 70 O LYS A 157 -6.835 3.127 -3.673 1.00 0.00 O ATOM 71 CB LYS A 157 -6.229 6.137 -2.461 1.00 0.00 C ATOM 72 CG LYS A 157 -5.330 7.217 -3.041 1.00 0.00 C ATOM 73 CD LYS A 157 -6.062 8.543 -3.165 1.00 0.00 C ATOM 74 CE LYS A 157 -5.608 9.319 -4.392 1.00 0.00 C ATOM 75 NZ LYS A 157 -4.548 10.310 -4.061 1.00 0.00 N ATOM 0 H LYS A 157 -8.433 4.379 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.335 6.205 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.828 6.567 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.608 5.360 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.453 7.342 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.971 6.905 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.135 8.363 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.888 9.141 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.233 8.624 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.462 9.834 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -4.266 10.818 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.913 10.989 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -3.723 9.816 -3.665 1.00 0.00 H new ATOM 89 N PHE A 158 -5.604 4.443 -5.021 1.00 0.00 N ATOM 90 CA PHE A 158 -4.911 3.329 -5.658 1.00 0.00 C ATOM 91 C PHE A 158 -3.451 3.678 -5.925 1.00 0.00 C ATOM 92 O PHE A 158 -3.147 4.524 -6.766 1.00 0.00 O ATOM 93 CB PHE A 158 -5.605 2.952 -6.968 1.00 0.00 C ATOM 94 CG PHE A 158 -6.998 2.421 -6.779 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.249 1.406 -5.868 1.00 0.00 C ATOM 96 CD2 PHE A 158 -8.054 2.937 -7.511 1.00 0.00 C ATOM 97 CE1 PHE A 158 -8.527 0.917 -5.691 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.337 2.449 -7.339 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.574 1.439 -6.428 1.00 0.00 C ATOM 0 H PHE A 158 -5.328 5.363 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.944 2.477 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.644 3.829 -7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -5.006 2.202 -7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -6.435 0.994 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -7.874 3.728 -8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -8.709 0.127 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -10.153 2.858 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.575 1.057 -6.291 1.00 0.00 H new ATOM 109 N VAL A 159 -2.548 3.020 -5.203 1.00 0.00 N ATOM 110 CA VAL A 159 -1.120 3.261 -5.362 1.00 0.00 C ATOM 111 C VAL A 159 -0.444 2.098 -6.080 1.00 0.00 C ATOM 112 O VAL A 159 -0.895 0.956 -5.995 1.00 0.00 O ATOM 113 CB VAL A 159 -0.431 3.481 -4.004 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.971 4.732 -3.329 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.612 2.266 -3.107 1.00 0.00 C ATOM 0 H VAL A 159 -2.781 2.316 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.017 4.165 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 159 0.636 3.619 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.472 4.872 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.785 5.598 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -2.044 4.624 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.117 2.442 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.675 2.093 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.174 1.391 -3.587 1.00 0.00 H new ATOM 125 N GLN A 160 0.643 2.395 -6.785 1.00 0.00 N ATOM 126 CA GLN A 160 1.381 1.372 -7.516 1.00 0.00 C ATOM 127 C GLN A 160 2.756 1.148 -6.897 1.00 0.00 C ATOM 128 O GLN A 160 3.607 2.037 -6.907 1.00 0.00 O ATOM 129 CB GLN A 160 1.530 1.771 -8.985 1.00 0.00 C ATOM 130 CG GLN A 160 1.447 0.596 -9.946 1.00 0.00 C ATOM 131 CD GLN A 160 2.456 0.694 -11.075 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.637 0.954 -10.846 1.00 0.00 O ATOM 133 NE2 GLN A 160 1.992 0.486 -12.301 1.00 0.00 N ATOM 0 H GLN A 160 1.032 3.335 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 160 0.818 0.441 -7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.753 2.492 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.487 2.274 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.611 -0.331 -9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.442 0.544 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.005 0.273 -12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.623 0.539 -13.101 1.00 0.00 H new ATOM 142 N ALA A 161 2.964 -0.046 -6.354 1.00 0.00 N ATOM 143 CA ALA A 161 4.231 -0.394 -5.727 1.00 0.00 C ATOM 144 C ALA A 161 5.369 -0.412 -6.740 1.00 0.00 C ATOM 145 O ALA A 161 5.151 -0.641 -7.930 1.00 0.00 O ATOM 146 CB ALA A 161 4.120 -1.744 -5.037 1.00 0.00 C ATOM 0 H ALA A 161 2.268 -0.791 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 161 4.458 0.371 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.073 -1.994 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.344 -1.699 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.863 -2.508 -5.771 1.00 0.00 H new ATOM 152 N LEU A 162 6.585 -0.178 -6.259 1.00 0.00 N ATOM 153 CA LEU A 162 7.761 -0.180 -7.126 1.00 0.00 C ATOM 154 C LEU A 162 8.651 -1.387 -6.834 1.00 0.00 C ATOM 155 O LEU A 162 9.436 -1.808 -7.682 1.00 0.00 O ATOM 156 CB LEU A 162 8.563 1.112 -6.961 1.00 0.00 C ATOM 157 CG LEU A 162 8.728 1.591 -5.519 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.202 1.720 -5.161 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.010 2.917 -5.316 1.00 0.00 C ATOM 0 H LEU A 162 6.783 0.015 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 162 7.412 -0.245 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.552 0.966 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.076 1.900 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 162 8.280 0.850 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.298 2.062 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.689 0.751 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.677 2.440 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.137 3.245 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.430 3.665 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.948 2.792 -5.529 1.00 0.00 H new ATOM 171 N PHE A 163 8.519 -1.941 -5.632 1.00 0.00 N ATOM 172 CA PHE A 163 9.309 -3.098 -5.232 1.00 0.00 C ATOM 173 C PHE A 163 8.455 -4.093 -4.452 1.00 0.00 C ATOM 174 O PHE A 163 7.773 -3.723 -3.494 1.00 0.00 O ATOM 175 CB PHE A 163 10.508 -2.659 -4.387 1.00 0.00 C ATOM 176 CG PHE A 163 11.825 -2.799 -5.097 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.236 -4.031 -5.581 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.649 -1.700 -5.278 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.448 -4.162 -6.234 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.862 -1.827 -5.930 1.00 0.00 C ATOM 181 CZ PHE A 163 14.262 -3.059 -6.408 1.00 0.00 C ATOM 0 H PHE A 163 7.872 -1.606 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 163 9.674 -3.589 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.373 -1.619 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.533 -3.250 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 163 11.604 -4.896 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 163 12.341 -0.734 -4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 163 13.758 -5.126 -6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.496 -0.963 -6.065 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.209 -3.160 -6.917 1.00 0.00 H new ATOM 191 N ASP A 164 8.492 -5.355 -4.866 1.00 0.00 N ATOM 192 CA ASP A 164 7.719 -6.400 -4.205 1.00 0.00 C ATOM 193 C ASP A 164 8.119 -6.532 -2.739 1.00 0.00 C ATOM 194 O ASP A 164 9.281 -6.337 -2.384 1.00 0.00 O ATOM 195 CB ASP A 164 7.915 -7.739 -4.921 1.00 0.00 C ATOM 196 CG ASP A 164 7.764 -7.619 -6.424 1.00 0.00 C ATOM 197 OD1 ASP A 164 8.655 -7.021 -7.065 1.00 0.00 O ATOM 198 OD2 ASP A 164 6.756 -8.120 -6.963 1.00 0.00 O ATOM 0 H ASP A 164 9.049 -5.679 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 164 6.666 -6.120 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 164 8.905 -8.131 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.190 -8.460 -4.542 1.00 0.00 H new ATOM 203 N PHE A 165 7.150 -6.867 -1.892 1.00 0.00 N ATOM 204 CA PHE A 165 7.403 -7.025 -0.466 1.00 0.00 C ATOM 205 C PHE A 165 6.686 -8.253 0.081 1.00 0.00 C ATOM 206 O PHE A 165 5.457 -8.334 0.048 1.00 0.00 O ATOM 207 CB PHE A 165 6.952 -5.776 0.295 1.00 0.00 C ATOM 208 CG PHE A 165 7.234 -5.838 1.769 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.536 -5.898 2.236 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.196 -5.834 2.686 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.798 -5.955 3.592 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.451 -5.889 4.042 1.00 0.00 C ATOM 213 CZ PHE A 165 7.755 -5.949 4.496 1.00 0.00 C ATOM 0 H PHE A 165 6.183 -7.034 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 165 8.475 -7.160 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 165 7.452 -4.904 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.882 -5.635 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 165 9.356 -5.900 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.175 -5.787 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.818 -6.004 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.633 -5.885 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 165 7.957 -5.991 5.556 1.00 0.00 H new ATOM 223 N ASN A 166 7.460 -9.208 0.585 1.00 0.00 N ATOM 224 CA ASN A 166 6.904 -10.433 1.143 1.00 0.00 C ATOM 225 C ASN A 166 7.040 -10.449 2.663 1.00 0.00 C ATOM 226 O ASN A 166 8.023 -10.959 3.199 1.00 0.00 O ATOM 227 CB ASN A 166 7.600 -11.660 0.544 1.00 0.00 C ATOM 228 CG ASN A 166 9.074 -11.427 0.270 1.00 0.00 C ATOM 229 OD1 ASN A 166 9.935 -11.856 1.037 1.00 0.00 O ATOM 230 ND2 ASN A 166 9.371 -10.743 -0.829 1.00 0.00 N ATOM 0 H ASN A 166 8.478 -9.156 0.618 1.00 0.00 H new ATOM 0 HA ASN A 166 5.845 -10.467 0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 166 7.491 -12.503 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 166 7.102 -11.936 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 166 10.345 -10.555 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 166 8.625 -10.406 -1.437 1.00 0.00 H new ATOM 237 N PRO A 167 6.051 -9.889 3.378 1.00 0.00 N ATOM 238 CA PRO A 167 6.066 -9.841 4.842 1.00 0.00 C ATOM 239 C PRO A 167 5.727 -11.187 5.469 1.00 0.00 C ATOM 240 O PRO A 167 4.655 -11.744 5.231 1.00 0.00 O ATOM 241 CB PRO A 167 4.987 -8.810 5.168 1.00 0.00 C ATOM 242 CG PRO A 167 4.034 -8.881 4.027 1.00 0.00 C ATOM 243 CD PRO A 167 4.841 -9.257 2.816 1.00 0.00 C ATOM 0 HA PRO A 167 7.051 -9.588 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.492 -9.041 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.412 -7.811 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.255 -9.619 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.536 -7.923 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.295 -9.944 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.090 -8.383 2.214 1.00 0.00 H new ATOM 251 N GLN A 168 6.646 -11.704 6.280 1.00 0.00 N ATOM 252 CA GLN A 168 6.442 -12.983 6.948 1.00 0.00 C ATOM 253 C GLN A 168 5.886 -12.784 8.357 1.00 0.00 C ATOM 254 O GLN A 168 5.986 -13.671 9.204 1.00 0.00 O ATOM 255 CB GLN A 168 7.757 -13.762 7.013 1.00 0.00 C ATOM 256 CG GLN A 168 7.573 -15.271 6.963 1.00 0.00 C ATOM 257 CD GLN A 168 7.767 -15.837 5.571 1.00 0.00 C ATOM 258 OE1 GLN A 168 8.387 -16.886 5.394 1.00 0.00 O ATOM 259 NE2 GLN A 168 7.239 -15.140 4.570 1.00 0.00 N ATOM 0 H GLN A 168 7.538 -11.256 6.489 1.00 0.00 H new ATOM 0 HA GLN A 168 5.715 -13.553 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.394 -13.454 6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.281 -13.498 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.281 -15.742 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 168 6.574 -15.523 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 168 6.733 -14.276 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 168 7.340 -15.470 3.610 1.00 0.00 H new ATOM 268 N GLU A 169 5.300 -11.615 8.602 1.00 0.00 N ATOM 269 CA GLU A 169 4.729 -11.305 9.907 1.00 0.00 C ATOM 270 C GLU A 169 3.365 -10.639 9.758 1.00 0.00 C ATOM 271 O GLU A 169 2.952 -10.290 8.652 1.00 0.00 O ATOM 272 CB GLU A 169 5.671 -10.392 10.696 1.00 0.00 C ATOM 273 CG GLU A 169 7.119 -10.854 10.681 1.00 0.00 C ATOM 274 CD GLU A 169 7.357 -12.051 11.578 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.253 -11.898 12.813 1.00 0.00 O ATOM 276 OE2 GLU A 169 7.651 -13.143 11.046 1.00 0.00 O ATOM 0 H GLU A 169 5.209 -10.868 7.914 1.00 0.00 H new ATOM 0 HA GLU A 169 4.600 -12.240 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.616 -9.384 10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.327 -10.334 11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.405 -11.107 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.762 -10.033 10.998 1.00 0.00 H new ATOM 283 N SER A 170 2.670 -10.468 10.875 1.00 0.00 N ATOM 284 CA SER A 170 1.351 -9.845 10.866 1.00 0.00 C ATOM 285 C SER A 170 1.461 -8.334 11.042 1.00 0.00 C ATOM 286 O SER A 170 2.347 -7.841 11.740 1.00 0.00 O ATOM 287 CB SER A 170 0.476 -10.436 11.974 1.00 0.00 C ATOM 288 OG SER A 170 1.122 -10.357 13.233 1.00 0.00 O ATOM 0 H SER A 170 2.997 -10.751 11.799 1.00 0.00 H new ATOM 0 HA SER A 170 0.889 -10.048 9.900 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.473 -9.902 12.015 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.247 -11.477 11.744 1.00 0.00 H new ATOM 0 HG SER A 170 0.541 -10.740 13.923 1.00 0.00 H new ATOM 294 N GLY A 171 0.553 -7.604 10.401 1.00 0.00 N ATOM 295 CA GLY A 171 0.563 -6.156 10.497 1.00 0.00 C ATOM 296 C GLY A 171 0.989 -5.495 9.202 1.00 0.00 C ATOM 297 O GLY A 171 0.504 -4.416 8.858 1.00 0.00 O ATOM 0 H GLY A 171 -0.189 -7.990 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.432 -5.806 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.239 -5.852 11.296 1.00 0.00 H new ATOM 301 N GLU A 172 1.896 -6.142 8.480 1.00 0.00 N ATOM 302 CA GLU A 172 2.387 -5.611 7.214 1.00 0.00 C ATOM 303 C GLU A 172 1.643 -6.231 6.039 1.00 0.00 C ATOM 304 O GLU A 172 1.396 -7.438 6.017 1.00 0.00 O ATOM 305 CB GLU A 172 3.889 -5.867 7.078 1.00 0.00 C ATOM 306 CG GLU A 172 4.723 -5.163 8.135 1.00 0.00 C ATOM 307 CD GLU A 172 5.977 -5.937 8.500 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.490 -6.675 7.633 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.445 -5.802 9.649 1.00 0.00 O ATOM 0 H GLU A 172 2.307 -7.036 8.750 1.00 0.00 H new ATOM 0 HA GLU A 172 2.208 -4.536 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.073 -6.940 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.217 -5.541 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.004 -4.174 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.119 -5.015 9.030 1.00 0.00 H new ATOM 316 N LEU A 173 1.278 -5.402 5.067 1.00 0.00 N ATOM 317 CA LEU A 173 0.551 -5.877 3.895 1.00 0.00 C ATOM 318 C LEU A 173 1.511 -6.473 2.865 1.00 0.00 C ATOM 319 O LEU A 173 2.640 -6.005 2.711 1.00 0.00 O ATOM 320 CB LEU A 173 -0.276 -4.732 3.281 1.00 0.00 C ATOM 321 CG LEU A 173 -0.120 -4.502 1.774 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.974 -5.488 0.995 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.494 -3.072 1.415 1.00 0.00 C ATOM 0 H LEU A 173 1.473 -4.401 5.067 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.133 -6.666 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.329 -4.923 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.012 -3.808 3.795 1.00 0.00 H new ATOM 0 HG LEU A 173 0.924 -4.664 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.851 -5.311 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.663 -6.505 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.021 -5.356 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.378 -2.924 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.530 -2.885 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.158 -2.380 1.949 1.00 0.00 H new ATOM 335 N ALA A 174 1.053 -7.499 2.157 1.00 0.00 N ATOM 336 CA ALA A 174 1.866 -8.146 1.134 1.00 0.00 C ATOM 337 C ALA A 174 1.580 -7.547 -0.238 1.00 0.00 C ATOM 338 O ALA A 174 0.509 -7.764 -0.806 1.00 0.00 O ATOM 339 CB ALA A 174 1.612 -9.646 1.125 1.00 0.00 C ATOM 0 H ALA A 174 0.123 -7.901 2.273 1.00 0.00 H new ATOM 0 HA ALA A 174 2.916 -7.974 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.226 -10.114 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.868 -10.064 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.560 -9.836 0.914 1.00 0.00 H new ATOM 345 N PHE A 175 2.533 -6.785 -0.762 1.00 0.00 N ATOM 346 CA PHE A 175 2.368 -6.148 -2.064 1.00 0.00 C ATOM 347 C PHE A 175 3.482 -6.550 -3.023 1.00 0.00 C ATOM 348 O PHE A 175 4.560 -6.970 -2.603 1.00 0.00 O ATOM 349 CB PHE A 175 2.344 -4.626 -1.907 1.00 0.00 C ATOM 350 CG PHE A 175 3.503 -4.084 -1.120 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.539 -4.204 0.259 1.00 0.00 C ATOM 352 CD2 PHE A 175 4.558 -3.453 -1.760 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.603 -3.705 0.987 1.00 0.00 C ATOM 354 CE2 PHE A 175 5.625 -2.951 -1.039 1.00 0.00 C ATOM 355 CZ PHE A 175 5.648 -3.079 0.337 1.00 0.00 C ATOM 0 H PHE A 175 3.426 -6.593 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 175 1.420 -6.485 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.341 -4.167 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.415 -4.334 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.725 -4.694 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 175 4.546 -3.352 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.617 -3.805 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 175 6.440 -2.459 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 175 6.482 -2.690 0.903 1.00 0.00 H new ATOM 365 N LYS A 176 3.210 -6.410 -4.318 1.00 0.00 N ATOM 366 CA LYS A 176 4.184 -6.751 -5.348 1.00 0.00 C ATOM 367 C LYS A 176 4.552 -5.517 -6.165 1.00 0.00 C ATOM 368 O LYS A 176 4.105 -4.410 -5.869 1.00 0.00 O ATOM 369 CB LYS A 176 3.628 -7.841 -6.265 1.00 0.00 C ATOM 370 CG LYS A 176 3.988 -9.250 -5.821 1.00 0.00 C ATOM 371 CD LYS A 176 4.082 -10.201 -7.005 1.00 0.00 C ATOM 372 CE LYS A 176 4.730 -11.517 -6.612 1.00 0.00 C ATOM 373 NZ LYS A 176 6.195 -11.371 -6.395 1.00 0.00 N ATOM 0 H LYS A 176 2.321 -6.062 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 176 5.083 -7.127 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 176 2.543 -7.749 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.003 -7.680 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 176 4.940 -9.233 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 176 3.238 -9.614 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 176 3.084 -10.390 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 176 4.659 -9.734 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 176 4.264 -11.894 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 176 4.550 -12.257 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 6.707 -11.990 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 6.474 -10.383 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 6.429 -11.638 -5.418 1.00 0.00 H new ATOM 387 N ARG A 177 5.365 -5.714 -7.198 1.00 0.00 N ATOM 388 CA ARG A 177 5.788 -4.612 -8.054 1.00 0.00 C ATOM 389 C ARG A 177 4.644 -4.152 -8.952 1.00 0.00 C ATOM 390 O ARG A 177 3.971 -4.966 -9.588 1.00 0.00 O ATOM 391 CB ARG A 177 6.989 -5.030 -8.905 1.00 0.00 C ATOM 392 CG ARG A 177 8.253 -4.246 -8.594 1.00 0.00 C ATOM 393 CD ARG A 177 9.452 -4.802 -9.347 1.00 0.00 C ATOM 394 NE ARG A 177 10.396 -3.752 -9.722 1.00 0.00 N ATOM 395 CZ ARG A 177 11.326 -3.894 -10.663 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.440 -5.039 -11.327 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.145 -2.890 -10.943 1.00 0.00 N ATOM 0 H ARG A 177 5.743 -6.624 -7.462 1.00 0.00 H new ATOM 0 HA ARG A 177 6.080 -3.779 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.182 -6.092 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.741 -4.901 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.108 -3.199 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.448 -4.278 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 177 9.959 -5.541 -8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.110 -5.319 -10.243 1.00 0.00 H new ATOM 0 HE ARG A 177 10.339 -2.858 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.813 -5.815 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 177 12.155 -5.142 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.062 -2.008 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 177 12.858 -2.999 -11.664 1.00 0.00 H new ATOM 411 N GLY A 178 4.431 -2.842 -8.997 1.00 0.00 N ATOM 412 CA GLY A 178 3.370 -2.290 -9.818 1.00 0.00 C ATOM 413 C GLY A 178 1.996 -2.789 -9.409 1.00 0.00 C ATOM 414 O GLY A 178 1.041 -2.693 -10.177 1.00 0.00 O ATOM 0 H GLY A 178 4.975 -2.152 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.392 -1.202 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.551 -2.549 -10.861 1.00 0.00 H new ATOM 418 N ASP A 179 1.898 -3.322 -8.195 1.00 0.00 N ATOM 419 CA ASP A 179 0.635 -3.837 -7.687 1.00 0.00 C ATOM 420 C ASP A 179 -0.248 -2.702 -7.180 1.00 0.00 C ATOM 421 O ASP A 179 0.115 -1.995 -6.241 1.00 0.00 O ATOM 422 CB ASP A 179 0.889 -4.845 -6.566 1.00 0.00 C ATOM 423 CG ASP A 179 -0.392 -5.459 -6.035 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.439 -5.320 -6.702 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.347 -6.082 -4.951 1.00 0.00 O ATOM 0 H ASP A 179 2.680 -3.408 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 179 0.116 -4.338 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.542 -5.636 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.417 -4.351 -5.750 1.00 0.00 H new ATOM 430 N VAL A 180 -1.409 -2.536 -7.804 1.00 0.00 N ATOM 431 CA VAL A 180 -2.341 -1.488 -7.408 1.00 0.00 C ATOM 432 C VAL A 180 -2.955 -1.797 -6.048 1.00 0.00 C ATOM 433 O VAL A 180 -3.929 -2.544 -5.949 1.00 0.00 O ATOM 434 CB VAL A 180 -3.470 -1.315 -8.445 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.362 -0.141 -8.076 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.891 -1.135 -9.841 1.00 0.00 C ATOM 0 H VAL A 180 -1.726 -3.112 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.773 -0.559 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.080 -2.219 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.152 -0.036 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.807 -0.316 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.768 0.772 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.702 -1.015 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.255 -0.250 -9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.300 -2.012 -10.106 1.00 0.00 H new ATOM 446 N ILE A 181 -2.374 -1.224 -4.999 1.00 0.00 N ATOM 447 CA ILE A 181 -2.860 -1.444 -3.644 1.00 0.00 C ATOM 448 C ILE A 181 -3.810 -0.335 -3.206 1.00 0.00 C ATOM 449 O ILE A 181 -3.448 0.842 -3.202 1.00 0.00 O ATOM 450 CB ILE A 181 -1.692 -1.534 -2.638 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.691 -2.603 -3.081 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.212 -1.835 -1.240 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.753 -2.171 -2.942 1.00 0.00 C ATOM 0 H ILE A 181 -1.566 -0.604 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.399 -2.391 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.182 -0.571 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.850 -3.506 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.886 -2.863 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.374 -1.895 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.889 -1.041 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.746 -2.785 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.407 -2.977 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.928 -1.286 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.964 -1.938 -1.898 1.00 0.00 H new ATOM 465 N THR A 182 -5.027 -0.720 -2.838 1.00 0.00 N ATOM 466 CA THR A 182 -6.029 0.239 -2.391 1.00 0.00 C ATOM 467 C THR A 182 -5.689 0.761 -1.000 1.00 0.00 C ATOM 468 O THR A 182 -5.892 0.073 -0.002 1.00 0.00 O ATOM 469 CB THR A 182 -7.418 -0.403 -2.385 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.541 -1.342 -3.439 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.543 0.598 -2.527 1.00 0.00 C ATOM 0 H THR A 182 -5.343 -1.690 -2.841 1.00 0.00 H new ATOM 0 HA THR A 182 -6.032 1.078 -3.087 1.00 0.00 H new ATOM 0 HB THR A 182 -7.507 -0.887 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 182 -8.435 -1.743 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.499 0.075 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.506 1.306 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.435 1.135 -3.469 1.00 0.00 H new ATOM 479 N LEU A 183 -5.167 1.982 -0.945 1.00 0.00 N ATOM 480 CA LEU A 183 -4.789 2.598 0.324 1.00 0.00 C ATOM 481 C LEU A 183 -5.929 2.529 1.335 1.00 0.00 C ATOM 482 O LEU A 183 -7.043 2.975 1.062 1.00 0.00 O ATOM 483 CB LEU A 183 -4.378 4.053 0.107 1.00 0.00 C ATOM 484 CG LEU A 183 -3.803 4.754 1.341 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.538 4.053 1.815 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.522 6.215 1.034 1.00 0.00 C ATOM 0 H LEU A 183 -4.996 2.565 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.942 2.040 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.637 4.090 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.247 4.613 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.540 4.704 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.145 4.566 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.769 3.019 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.793 4.071 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.114 6.701 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.802 6.283 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.448 6.710 0.743 1.00 0.00 H new ATOM 498 N ILE A 184 -5.637 1.976 2.507 1.00 0.00 N ATOM 499 CA ILE A 184 -6.633 1.857 3.564 1.00 0.00 C ATOM 500 C ILE A 184 -6.625 3.098 4.451 1.00 0.00 C ATOM 501 O ILE A 184 -7.652 3.750 4.634 1.00 0.00 O ATOM 502 CB ILE A 184 -6.385 0.613 4.442 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.227 -0.637 3.577 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.520 0.433 5.438 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.586 -1.796 4.305 1.00 0.00 C ATOM 0 H ILE A 184 -4.719 1.603 2.749 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.603 1.756 3.078 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.458 0.763 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.208 -0.944 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.626 -0.390 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.331 -0.449 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.585 1.312 6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.459 0.306 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.505 -2.649 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.592 -1.507 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.198 -2.069 5.164 1.00 0.00 H new ATOM 517 N ASN A 185 -5.454 3.417 4.997 1.00 0.00 N ATOM 518 CA ASN A 185 -5.302 4.582 5.864 1.00 0.00 C ATOM 519 C ASN A 185 -3.856 5.072 5.862 1.00 0.00 C ATOM 520 O ASN A 185 -2.950 4.367 5.418 1.00 0.00 O ATOM 521 CB ASN A 185 -5.727 4.252 7.299 1.00 0.00 C ATOM 522 CG ASN A 185 -6.969 3.387 7.364 1.00 0.00 C ATOM 523 OD1 ASN A 185 -8.074 3.842 7.075 1.00 0.00 O ATOM 524 ND2 ASN A 185 -6.790 2.128 7.747 1.00 0.00 N ATOM 0 H ASN A 185 -4.596 2.884 4.854 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.946 5.371 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -4.908 3.742 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -5.908 5.180 7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -7.588 1.496 7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.854 1.793 7.977 1.00 0.00 H new ATOM 531 N LYS A 186 -3.649 6.282 6.368 1.00 0.00 N ATOM 532 CA LYS A 186 -2.316 6.870 6.436 1.00 0.00 C ATOM 533 C LYS A 186 -2.000 7.319 7.859 1.00 0.00 C ATOM 534 O LYS A 186 -1.583 8.456 8.086 1.00 0.00 O ATOM 535 CB LYS A 186 -2.208 8.056 5.476 1.00 0.00 C ATOM 536 CG LYS A 186 -1.972 7.651 4.032 1.00 0.00 C ATOM 537 CD LYS A 186 -2.324 8.777 3.073 1.00 0.00 C ATOM 538 CE LYS A 186 -3.829 8.960 2.956 1.00 0.00 C ATOM 539 NZ LYS A 186 -4.182 10.079 2.039 1.00 0.00 N ATOM 0 H LYS A 186 -4.390 6.877 6.739 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.591 6.111 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.124 8.644 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.393 8.702 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.927 7.371 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.571 6.771 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.869 9.706 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.905 8.563 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.280 8.037 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -4.249 9.153 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -5.217 10.171 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -3.773 10.965 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.803 9.883 1.090 1.00 0.00 H new ATOM 553 N ASP A 187 -2.209 6.420 8.815 1.00 0.00 N ATOM 554 CA ASP A 187 -1.955 6.721 10.220 1.00 0.00 C ATOM 555 C ASP A 187 -0.516 7.182 10.439 1.00 0.00 C ATOM 556 O ASP A 187 -0.225 7.907 11.392 1.00 0.00 O ATOM 557 CB ASP A 187 -2.243 5.493 11.084 1.00 0.00 C ATOM 558 CG ASP A 187 -1.354 4.316 10.736 1.00 0.00 C ATOM 559 OD1 ASP A 187 -0.821 4.292 9.607 1.00 0.00 O ATOM 560 OD2 ASP A 187 -1.192 3.421 11.590 1.00 0.00 O ATOM 0 H ASP A 187 -2.554 5.476 8.643 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.621 7.533 10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.104 5.751 12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.287 5.204 10.962 1.00 0.00 H new ATOM 565 N ASP A 188 0.384 6.761 9.555 1.00 0.00 N ATOM 566 CA ASP A 188 1.790 7.136 9.661 1.00 0.00 C ATOM 567 C ASP A 188 2.274 7.799 8.373 1.00 0.00 C ATOM 568 O ASP A 188 2.119 7.242 7.287 1.00 0.00 O ATOM 569 CB ASP A 188 2.645 5.905 9.965 1.00 0.00 C ATOM 570 CG ASP A 188 4.033 6.270 10.452 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.883 6.625 9.608 1.00 0.00 O ATOM 572 OD2 ASP A 188 4.271 6.203 11.675 1.00 0.00 O ATOM 0 H ASP A 188 0.165 6.162 8.759 1.00 0.00 H new ATOM 0 HA ASP A 188 1.890 7.851 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.146 5.297 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.728 5.293 9.067 1.00 0.00 H new ATOM 577 N PRO A 189 2.874 9.002 8.471 1.00 0.00 N ATOM 578 CA PRO A 189 3.375 9.731 7.301 1.00 0.00 C ATOM 579 C PRO A 189 4.322 8.887 6.449 1.00 0.00 C ATOM 580 O PRO A 189 4.514 9.165 5.266 1.00 0.00 O ATOM 581 CB PRO A 189 4.120 10.934 7.903 1.00 0.00 C ATOM 582 CG PRO A 189 4.273 10.624 9.354 1.00 0.00 C ATOM 583 CD PRO A 189 3.113 9.744 9.715 1.00 0.00 C ATOM 0 HA PRO A 189 2.564 10.015 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.091 11.072 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.559 11.857 7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.220 10.120 9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.270 11.537 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.352 9.078 10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.241 10.325 10.014 1.00 0.00 H new ATOM 591 N ASN A 190 4.911 7.861 7.055 1.00 0.00 N ATOM 592 CA ASN A 190 5.836 6.986 6.344 1.00 0.00 C ATOM 593 C ASN A 190 5.220 5.616 6.099 1.00 0.00 C ATOM 594 O ASN A 190 5.454 4.996 5.063 1.00 0.00 O ATOM 595 CB ASN A 190 7.132 6.827 7.132 1.00 0.00 C ATOM 596 CG ASN A 190 8.090 7.976 6.902 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.340 8.785 7.795 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.631 8.050 5.694 1.00 0.00 N ATOM 0 H ASN A 190 4.765 7.616 8.034 1.00 0.00 H new ATOM 0 HA ASN A 190 6.052 7.448 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.902 6.756 8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.615 5.892 6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.285 8.801 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.393 7.356 4.985 1.00 0.00 H new ATOM 605 N TRP A 191 4.439 5.145 7.063 1.00 0.00 N ATOM 606 CA TRP A 191 3.803 3.841 6.954 1.00 0.00 C ATOM 607 C TRP A 191 2.327 3.975 6.601 1.00 0.00 C ATOM 608 O TRP A 191 1.523 4.441 7.408 1.00 0.00 O ATOM 609 CB TRP A 191 3.965 3.065 8.262 1.00 0.00 C ATOM 610 CG TRP A 191 5.266 2.328 8.349 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.509 2.875 8.482 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.454 0.909 8.304 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.459 1.883 8.523 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.836 0.668 8.415 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.586 -0.180 8.182 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.369 -0.619 8.409 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.118 -1.456 8.174 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.498 -1.667 8.287 1.00 0.00 C ATOM 0 H TRP A 191 4.232 5.646 7.927 1.00 0.00 H new ATOM 0 HA TRP A 191 4.293 3.292 6.150 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.889 3.757 9.100 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.144 2.355 8.360 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.716 3.933 8.546 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.464 2.028 8.618 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.520 -0.027 8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.433 -0.784 8.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.458 -2.305 8.079 1.00 0.00 H new ATOM 0 HH2 TRP A 191 6.882 -2.676 8.278 1.00 0.00 H new ATOM 629 N TRP A 192 1.980 3.567 5.386 1.00 0.00 N ATOM 630 CA TRP A 192 0.604 3.642 4.916 1.00 0.00 C ATOM 631 C TRP A 192 -0.033 2.261 4.872 1.00 0.00 C ATOM 632 O TRP A 192 0.610 1.278 4.500 1.00 0.00 O ATOM 633 CB TRP A 192 0.552 4.272 3.524 1.00 0.00 C ATOM 634 CG TRP A 192 0.895 5.729 3.508 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.299 6.490 4.566 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.866 6.603 2.374 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.525 7.782 4.159 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.267 7.876 2.817 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.542 6.429 1.025 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.352 8.970 1.960 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.626 7.517 0.175 1.00 0.00 C ATOM 642 CH2 TRP A 192 1.029 8.772 0.646 1.00 0.00 C ATOM 0 H TRP A 192 2.636 3.180 4.707 1.00 0.00 H new ATOM 0 HA TRP A 192 0.045 4.263 5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.240 3.739 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.448 4.139 3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.423 6.129 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.835 8.547 4.758 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.232 5.463 0.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.662 9.940 2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.377 7.396 -0.869 1.00 0.00 H new ATOM 0 HH2 TRP A 192 1.086 9.602 -0.043 1.00 0.00 H new ATOM 653 N GLU A 193 -1.308 2.194 5.235 1.00 0.00 N ATOM 654 CA GLU A 193 -2.042 0.937 5.216 1.00 0.00 C ATOM 655 C GLU A 193 -2.688 0.750 3.849 1.00 0.00 C ATOM 656 O GLU A 193 -3.206 1.704 3.269 1.00 0.00 O ATOM 657 CB GLU A 193 -3.105 0.927 6.318 1.00 0.00 C ATOM 658 CG GLU A 193 -3.585 -0.466 6.695 1.00 0.00 C ATOM 659 CD GLU A 193 -3.760 -0.641 8.190 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.115 0.106 8.955 1.00 0.00 O ATOM 661 OE2 GLU A 193 -4.544 -1.526 8.596 1.00 0.00 O ATOM 0 H GLU A 193 -1.855 2.997 5.546 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.353 0.113 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.700 1.414 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.959 1.520 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.534 -0.666 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.871 -1.203 6.328 1.00 0.00 H new ATOM 668 N GLY A 194 -2.643 -0.470 3.324 1.00 0.00 N ATOM 669 CA GLY A 194 -3.219 -0.720 2.014 1.00 0.00 C ATOM 670 C GLY A 194 -3.895 -2.071 1.908 1.00 0.00 C ATOM 671 O GLY A 194 -3.620 -2.978 2.693 1.00 0.00 O ATOM 0 H GLY A 194 -2.223 -1.283 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -3.945 0.061 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.434 -0.653 1.260 1.00 0.00 H new ATOM 675 N GLN A 195 -4.785 -2.200 0.928 1.00 0.00 N ATOM 676 CA GLN A 195 -5.509 -3.446 0.712 1.00 0.00 C ATOM 677 C GLN A 195 -5.130 -4.077 -0.622 1.00 0.00 C ATOM 678 O GLN A 195 -4.800 -3.379 -1.580 1.00 0.00 O ATOM 679 CB GLN A 195 -7.012 -3.197 0.758 1.00 0.00 C ATOM 680 CG GLN A 195 -7.836 -4.460 0.947 1.00 0.00 C ATOM 681 CD GLN A 195 -9.262 -4.305 0.462 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.599 -3.329 -0.209 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.111 -5.269 0.799 1.00 0.00 N ATOM 0 H GLN A 195 -5.021 -1.456 0.271 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.234 -4.137 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.232 -2.505 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.319 -2.709 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.362 -5.282 0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.843 -4.730 2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.789 -6.060 1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.085 -5.218 0.500 1.00 0.00 H new ATOM 692 N LEU A 196 -5.182 -5.403 -0.678 1.00 0.00 N ATOM 693 CA LEU A 196 -4.850 -6.134 -1.893 1.00 0.00 C ATOM 694 C LEU A 196 -5.801 -7.306 -2.095 1.00 0.00 C ATOM 695 O LEU A 196 -5.609 -8.380 -1.527 1.00 0.00 O ATOM 696 CB LEU A 196 -3.402 -6.632 -1.833 1.00 0.00 C ATOM 697 CG LEU A 196 -2.564 -6.349 -3.083 1.00 0.00 C ATOM 698 CD1 LEU A 196 -3.016 -7.224 -4.240 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.650 -4.879 -3.461 1.00 0.00 C ATOM 0 H LEU A 196 -5.452 -5.995 0.108 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.956 -5.456 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.912 -6.173 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.411 -7.708 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.524 -6.587 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.408 -7.008 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.901 -8.274 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -4.063 -7.019 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.048 -4.696 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.688 -4.616 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.275 -4.269 -2.639 1.00 0.00 H new ATOM 711 N ASN A 197 -6.833 -7.092 -2.908 1.00 0.00 N ATOM 712 CA ASN A 197 -7.824 -8.127 -3.190 1.00 0.00 C ATOM 713 C ASN A 197 -8.784 -8.295 -2.017 1.00 0.00 C ATOM 714 O ASN A 197 -9.988 -8.066 -2.148 1.00 0.00 O ATOM 715 CB ASN A 197 -7.146 -9.465 -3.507 1.00 0.00 C ATOM 716 CG ASN A 197 -5.951 -9.305 -4.427 1.00 0.00 C ATOM 717 OD1 ASN A 197 -5.981 -8.515 -5.370 1.00 0.00 O ATOM 718 ND2 ASN A 197 -4.892 -10.057 -4.155 1.00 0.00 N ATOM 0 H ASN A 197 -7.005 -6.207 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.393 -7.810 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.825 -9.935 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.870 -10.135 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -4.058 -9.993 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -4.912 -10.698 -3.362 1.00 0.00 H new ATOM 725 N ASN A 198 -8.247 -8.695 -0.871 1.00 0.00 N ATOM 726 CA ASN A 198 -9.061 -8.894 0.323 1.00 0.00 C ATOM 727 C ASN A 198 -8.196 -8.980 1.578 1.00 0.00 C ATOM 728 O ASN A 198 -8.560 -9.647 2.545 1.00 0.00 O ATOM 729 CB ASN A 198 -9.903 -10.163 0.184 1.00 0.00 C ATOM 730 CG ASN A 198 -11.239 -9.900 -0.480 1.00 0.00 C ATOM 731 OD1 ASN A 198 -12.144 -9.323 0.121 1.00 0.00 O ATOM 732 ND2 ASN A 198 -11.370 -10.327 -1.733 1.00 0.00 N ATOM 0 H ASN A 198 -7.254 -8.888 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.721 -8.032 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.350 -10.901 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -10.070 -10.595 1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -12.247 -10.180 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.593 -10.801 -2.194 1.00 0.00 H new ATOM 739 N ARG A 199 -7.053 -8.303 1.559 1.00 0.00 N ATOM 740 CA ARG A 199 -6.144 -8.307 2.699 1.00 0.00 C ATOM 741 C ARG A 199 -5.821 -6.883 3.141 1.00 0.00 C ATOM 742 O ARG A 199 -6.023 -5.929 2.391 1.00 0.00 O ATOM 743 CB ARG A 199 -4.849 -9.050 2.355 1.00 0.00 C ATOM 744 CG ARG A 199 -4.531 -9.088 0.868 1.00 0.00 C ATOM 745 CD ARG A 199 -3.252 -9.861 0.593 1.00 0.00 C ATOM 746 NE ARG A 199 -3.336 -10.638 -0.641 1.00 0.00 N ATOM 747 CZ ARG A 199 -3.971 -11.803 -0.743 1.00 0.00 C ATOM 748 NH1 ARG A 199 -4.576 -12.332 0.313 1.00 0.00 N ATOM 749 NH2 ARG A 199 -3.999 -12.443 -1.904 1.00 0.00 N ATOM 0 H ARG A 199 -6.734 -7.745 0.767 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.641 -8.824 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.020 -8.576 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -4.920 -10.072 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.359 -9.549 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -4.431 -8.071 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.415 -9.166 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -3.046 -10.529 1.429 1.00 0.00 H new ATOM 0 HE ARG A 199 -2.881 -10.265 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -4.556 -11.845 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -5.061 -13.225 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -3.534 -12.042 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -4.486 -13.336 -1.982 1.00 0.00 H new ATOM 763 N ARG A 200 -5.317 -6.748 4.363 1.00 0.00 N ATOM 764 CA ARG A 200 -4.961 -5.449 4.914 1.00 0.00 C ATOM 765 C ARG A 200 -3.543 -5.479 5.468 1.00 0.00 C ATOM 766 O ARG A 200 -3.072 -6.526 5.919 1.00 0.00 O ATOM 767 CB ARG A 200 -5.942 -5.063 6.019 1.00 0.00 C ATOM 768 CG ARG A 200 -7.126 -4.245 5.527 1.00 0.00 C ATOM 769 CD ARG A 200 -8.449 -4.904 5.883 1.00 0.00 C ATOM 770 NE ARG A 200 -8.469 -6.321 5.525 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.334 -7.200 6.024 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.251 -6.814 6.902 1.00 0.00 N ATOM 773 NH2 ARG A 200 -9.283 -8.469 5.643 1.00 0.00 N ATOM 0 H ARG A 200 -5.145 -7.531 4.994 1.00 0.00 H new ATOM 0 HA ARG A 200 -5.011 -4.707 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.312 -5.970 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.411 -4.494 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.087 -3.247 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.060 -4.122 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.631 -4.798 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -9.260 -4.389 5.369 1.00 0.00 H new ATOM 0 HE ARG A 200 -7.779 -6.656 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.295 -5.839 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -10.912 -7.492 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -8.581 -8.771 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -9.946 -9.143 6.025 1.00 0.00 H new ATOM 787 N GLY A 201 -2.858 -4.339 5.437 1.00 0.00 N ATOM 788 CA GLY A 201 -1.501 -4.296 5.949 1.00 0.00 C ATOM 789 C GLY A 201 -0.869 -2.920 5.856 1.00 0.00 C ATOM 790 O GLY A 201 -1.297 -2.082 5.063 1.00 0.00 O ATOM 0 H GLY A 201 -3.213 -3.455 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.502 -4.618 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.888 -5.008 5.396 1.00 0.00 H new ATOM 794 N ILE A 202 0.164 -2.696 6.665 1.00 0.00 N ATOM 795 CA ILE A 202 0.872 -1.419 6.671 1.00 0.00 C ATOM 796 C ILE A 202 2.294 -1.588 6.144 1.00 0.00 C ATOM 797 O ILE A 202 2.897 -2.650 6.294 1.00 0.00 O ATOM 798 CB ILE A 202 0.936 -0.809 8.083 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.611 -1.780 9.054 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.460 -0.447 8.568 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.467 -1.093 10.095 1.00 0.00 C ATOM 0 H ILE A 202 0.529 -3.383 7.325 1.00 0.00 H new ATOM 0 HA ILE A 202 0.313 -0.745 6.022 1.00 0.00 H new ATOM 0 HB ILE A 202 1.532 0.103 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.845 -2.370 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.230 -2.476 8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.398 -0.017 9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.905 0.279 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.079 -1.344 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 202 2.915 -1.841 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.255 -0.525 9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 202 1.849 -0.417 10.686 1.00 0.00 H new ATOM 813 N PHE A 203 2.823 -0.540 5.526 1.00 0.00 N ATOM 814 CA PHE A 203 4.173 -0.585 4.978 1.00 0.00 C ATOM 815 C PHE A 203 4.634 0.799 4.535 1.00 0.00 C ATOM 816 O PHE A 203 3.821 1.702 4.348 1.00 0.00 O ATOM 817 CB PHE A 203 4.227 -1.545 3.790 1.00 0.00 C ATOM 818 CG PHE A 203 3.364 -1.114 2.636 1.00 0.00 C ATOM 819 CD1 PHE A 203 1.991 -1.011 2.785 1.00 0.00 C ATOM 820 CD2 PHE A 203 3.925 -0.814 1.407 1.00 0.00 C ATOM 821 CE1 PHE A 203 1.192 -0.620 1.727 1.00 0.00 C ATOM 822 CE2 PHE A 203 3.132 -0.421 0.348 1.00 0.00 C ATOM 823 CZ PHE A 203 1.763 -0.324 0.507 1.00 0.00 C ATOM 0 H PHE A 203 2.340 0.349 5.392 1.00 0.00 H new ATOM 0 HA PHE A 203 4.841 -0.938 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 203 5.259 -1.633 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.914 -2.536 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 203 1.539 -1.239 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 203 4.994 -0.888 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 203 0.122 -0.546 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 203 3.582 -0.189 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 203 1.142 -0.017 -0.322 1.00 0.00 H new ATOM 833 N PRO A 204 5.953 0.976 4.348 1.00 0.00 N ATOM 834 CA PRO A 204 6.518 2.254 3.911 1.00 0.00 C ATOM 835 C PRO A 204 5.958 2.674 2.557 1.00 0.00 C ATOM 836 O PRO A 204 6.279 2.075 1.530 1.00 0.00 O ATOM 837 CB PRO A 204 8.022 1.971 3.805 1.00 0.00 C ATOM 838 CG PRO A 204 8.249 0.760 4.642 1.00 0.00 C ATOM 839 CD PRO A 204 6.990 -0.052 4.537 1.00 0.00 C ATOM 0 HA PRO A 204 6.282 3.068 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.318 1.797 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.609 2.816 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 204 9.110 0.194 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.453 1.033 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 204 7.027 -0.748 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.814 -0.643 5.436 1.00 0.00 H new ATOM 847 N SER A 205 5.114 3.701 2.559 1.00 0.00 N ATOM 848 CA SER A 205 4.506 4.187 1.326 1.00 0.00 C ATOM 849 C SER A 205 5.570 4.579 0.305 1.00 0.00 C ATOM 850 O SER A 205 5.298 4.637 -0.894 1.00 0.00 O ATOM 851 CB SER A 205 3.590 5.375 1.612 1.00 0.00 C ATOM 852 OG SER A 205 4.056 6.124 2.723 1.00 0.00 O ATOM 0 H SER A 205 4.836 4.211 3.398 1.00 0.00 H new ATOM 0 HA SER A 205 3.911 3.376 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.537 6.017 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.578 5.019 1.808 1.00 0.00 H new ATOM 0 HG SER A 205 3.293 6.514 3.198 1.00 0.00 H new ATOM 858 N ASN A 206 6.782 4.839 0.782 1.00 0.00 N ATOM 859 CA ASN A 206 7.878 5.213 -0.099 1.00 0.00 C ATOM 860 C ASN A 206 8.197 4.089 -1.087 1.00 0.00 C ATOM 861 O ASN A 206 8.911 4.300 -2.066 1.00 0.00 O ATOM 862 CB ASN A 206 9.126 5.561 0.720 1.00 0.00 C ATOM 863 CG ASN A 206 9.682 4.372 1.465 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.173 3.258 1.357 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.736 4.609 2.230 1.00 0.00 N ATOM 0 H ASN A 206 7.028 4.797 1.771 1.00 0.00 H new ATOM 0 HA ASN A 206 7.569 6.091 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 206 9.893 5.959 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 206 8.881 6.349 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.161 3.850 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.123 5.551 2.287 1.00 0.00 H new ATOM 872 N TYR A 207 7.664 2.894 -0.825 1.00 0.00 N ATOM 873 CA TYR A 207 7.899 1.749 -1.694 1.00 0.00 C ATOM 874 C TYR A 207 6.826 1.642 -2.777 1.00 0.00 C ATOM 875 O TYR A 207 6.638 0.577 -3.367 1.00 0.00 O ATOM 876 CB TYR A 207 7.924 0.461 -0.868 1.00 0.00 C ATOM 877 CG TYR A 207 9.312 -0.104 -0.667 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.374 0.719 -0.312 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.560 -1.461 -0.833 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.644 0.206 -0.128 1.00 0.00 C ATOM 881 CE2 TYR A 207 10.826 -1.981 -0.650 1.00 0.00 C ATOM 882 CZ TYR A 207 11.864 -1.145 -0.298 1.00 0.00 C ATOM 883 OH TYR A 207 13.126 -1.660 -0.115 1.00 0.00 O ATOM 0 H TYR A 207 7.069 2.698 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 207 8.864 1.892 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.476 0.656 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.304 -0.288 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.204 1.777 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 207 8.750 -2.119 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.459 0.859 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.002 -3.038 -0.782 1.00 0.00 H new ATOM 0 HH TYR A 207 13.111 -2.627 -0.272 1.00 0.00 H new ATOM 893 N VAL A 208 6.120 2.739 -3.034 1.00 0.00 N ATOM 894 CA VAL A 208 5.069 2.738 -4.042 1.00 0.00 C ATOM 895 C VAL A 208 4.958 4.092 -4.742 1.00 0.00 C ATOM 896 O VAL A 208 5.793 4.977 -4.548 1.00 0.00 O ATOM 897 CB VAL A 208 3.703 2.368 -3.423 1.00 0.00 C ATOM 898 CG1 VAL A 208 3.833 1.128 -2.556 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.143 3.521 -2.606 1.00 0.00 C ATOM 0 H VAL A 208 6.256 3.633 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 208 5.343 1.985 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 208 3.010 2.159 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 208 2.862 0.880 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.184 0.294 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.546 1.318 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.181 3.233 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.836 3.767 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.010 4.391 -3.248 1.00 0.00 H new ATOM 909 N ALA A 209 3.915 4.241 -5.553 1.00 0.00 N ATOM 910 CA ALA A 209 3.678 5.479 -6.283 1.00 0.00 C ATOM 911 C ALA A 209 2.201 5.616 -6.649 1.00 0.00 C ATOM 912 O ALA A 209 1.684 4.851 -7.461 1.00 0.00 O ATOM 913 CB ALA A 209 4.540 5.524 -7.537 1.00 0.00 C ATOM 0 H ALA A 209 3.218 3.515 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 209 3.950 6.316 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.353 6.454 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.592 5.471 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.292 4.679 -8.179 1.00 0.00 H new ATOM 919 N PRO A 210 1.495 6.595 -6.050 1.00 0.00 N ATOM 920 CA PRO A 210 0.071 6.818 -6.319 1.00 0.00 C ATOM 921 C PRO A 210 -0.254 6.806 -7.810 1.00 0.00 C ATOM 922 O PRO A 210 0.248 7.631 -8.574 1.00 0.00 O ATOM 923 CB PRO A 210 -0.179 8.203 -5.723 1.00 0.00 C ATOM 924 CG PRO A 210 0.800 8.303 -4.606 1.00 0.00 C ATOM 925 CD PRO A 210 2.026 7.557 -5.063 1.00 0.00 C ATOM 0 HA PRO A 210 -0.555 6.033 -5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.022 8.989 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.204 8.303 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 210 1.036 9.344 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.396 7.867 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.760 8.227 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.520 7.050 -4.234 1.00 0.00 H new ATOM 933 N TYR A 211 -1.097 5.861 -8.214 1.00 0.00 N ATOM 934 CA TYR A 211 -1.494 5.733 -9.611 1.00 0.00 C ATOM 935 C TYR A 211 -2.852 6.382 -9.852 1.00 0.00 C ATOM 936 O TYR A 211 -2.958 7.374 -10.571 1.00 0.00 O ATOM 937 CB TYR A 211 -1.539 4.255 -10.011 1.00 0.00 C ATOM 938 CG TYR A 211 -1.992 4.020 -11.434 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.395 4.693 -12.494 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.014 3.125 -11.718 1.00 0.00 C ATOM 941 CE1 TYR A 211 -1.806 4.480 -13.795 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.430 2.906 -13.018 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.823 3.586 -14.053 1.00 0.00 C ATOM 944 OH TYR A 211 -3.235 3.370 -15.348 1.00 0.00 O ATOM 0 H TYR A 211 -1.519 5.171 -7.592 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.755 6.248 -10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.547 3.823 -9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.210 3.726 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.597 5.394 -12.297 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.492 2.591 -10.910 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.333 5.012 -14.607 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.226 2.206 -13.222 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.959 2.710 -15.355 1.00 0.00 H new ATOM 954 N ASN A 212 -3.889 5.814 -9.244 1.00 0.00 N ATOM 955 CA ASN A 212 -5.242 6.337 -9.392 1.00 0.00 C ATOM 956 C ASN A 212 -5.686 6.274 -10.849 1.00 0.00 C ATOM 957 O ASN A 212 -5.739 7.294 -11.538 1.00 0.00 O ATOM 958 CB ASN A 212 -5.311 7.776 -8.876 1.00 0.00 C ATOM 959 CG ASN A 212 -6.687 8.391 -9.046 1.00 0.00 C ATOM 960 OD1 ASN A 212 -6.823 9.513 -9.534 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.717 7.656 -8.641 1.00 0.00 N ATOM 0 H ASN A 212 -3.818 4.992 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.918 5.719 -8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.037 7.793 -7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.577 8.384 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -8.667 8.017 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -7.558 6.731 -8.242 1.00 0.00 H new ATOM 968 N SER A 213 -6.001 5.069 -11.313 1.00 0.00 N ATOM 969 CA SER A 213 -6.438 4.871 -12.689 1.00 0.00 C ATOM 970 C SER A 213 -7.681 5.700 -12.993 1.00 0.00 C ATOM 971 O SER A 213 -8.604 5.774 -12.182 1.00 0.00 O ATOM 972 CB SER A 213 -6.723 3.389 -12.947 1.00 0.00 C ATOM 973 OG SER A 213 -8.004 3.025 -12.465 1.00 0.00 O ATOM 0 H SER A 213 -5.962 4.215 -10.756 1.00 0.00 H new ATOM 0 HA SER A 213 -5.635 5.201 -13.348 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.661 3.184 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 213 -5.961 2.779 -12.461 1.00 0.00 H new ATOM 0 HG SER A 213 -8.163 2.075 -12.643 1.00 0.00 H new ATOM 979 N ASN A 214 -7.698 6.323 -14.166 1.00 0.00 N ATOM 980 CA ASN A 214 -8.825 7.147 -14.579 1.00 0.00 C ATOM 981 C ASN A 214 -10.051 6.287 -14.871 1.00 0.00 C ATOM 982 O ASN A 214 -10.040 5.097 -14.493 1.00 0.00 O ATOM 983 CB ASN A 214 -8.452 7.963 -15.816 1.00 0.00 C ATOM 984 CG ASN A 214 -7.822 7.115 -16.904 1.00 0.00 C ATOM 985 OD1 ASN A 214 -8.515 6.395 -17.625 1.00 0.00 O ATOM 986 ND2 ASN A 214 -6.504 7.193 -17.027 1.00 0.00 N ATOM 987 OXT ASN A 214 -11.011 6.812 -15.474 1.00 0.00 O ATOM 0 H ASN A 214 -6.942 6.272 -14.848 1.00 0.00 H new ATOM 0 HA ASN A 214 -9.070 7.826 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -9.345 8.448 -16.210 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -7.759 8.754 -15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -6.025 6.643 -17.740 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -5.969 7.803 -16.408 1.00 0.00 H new TER 994 ASN A 214