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 211 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 213 SER OG : rot 21:sc= 1.14 USER MOD Single : A 153 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=0) 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+ 167:sc= -0.0656 (180deg=-0.257) USER MOD Single : A 160 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.5) USER MOD Single : A 166 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.27) 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 -105:sc= 0.787 USER MOD Single : A 185 ASN : amide:sc= -3.91! C(o=-3.9!,f=-2.8!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc=-0.00853 X(o=-0.0085,f=0) USER MOD Single : A 195 GLN : amide:sc= -2.66 K(o=-2.7,f=-4.6!) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 198 ASN : amide:sc= -0.908 K(o=-0.91,f=-9.6!) USER MOD Single : A 205 SER OG : rot -129:sc= 0.279 USER MOD Single : A 206 ASN : amide:sc= -0.48 K(o=-0.48,f=-3.1!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -1.1 K(o=-1.1,f=0.058) USER MOD Single : A 214 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -19.204 10.323 -1.614 1.00 0.00 N ATOM 2 CA HIS A 153 -19.603 9.474 -0.462 1.00 0.00 C ATOM 3 C HIS A 153 -18.393 8.789 0.163 1.00 0.00 C ATOM 4 O HIS A 153 -17.988 9.118 1.278 1.00 0.00 O ATOM 5 CB HIS A 153 -20.607 8.428 -0.953 1.00 0.00 C ATOM 6 CG HIS A 153 -21.873 9.020 -1.490 1.00 0.00 C ATOM 7 ND1 HIS A 153 -22.810 8.286 -2.185 1.00 0.00 N ATOM 8 CD2 HIS A 153 -22.355 10.283 -1.431 1.00 0.00 C ATOM 9 CE1 HIS A 153 -23.813 9.072 -2.532 1.00 0.00 C ATOM 10 NE2 HIS A 153 -23.561 10.289 -2.086 1.00 0.00 N ATOM 0 HA HIS A 153 -20.057 10.101 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -20.139 7.824 -1.731 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -20.850 7.755 -0.130 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -21.879 11.129 -0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -24.690 8.771 -3.086 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -24.165 11.102 -2.208 1.00 0.00 H new ATOM 21 N MET A 154 -17.818 7.834 -0.563 1.00 0.00 N ATOM 22 CA MET A 154 -16.652 7.102 -0.080 1.00 0.00 C ATOM 23 C MET A 154 -15.362 7.764 -0.551 1.00 0.00 C ATOM 24 O MET A 154 -15.387 8.829 -1.167 1.00 0.00 O ATOM 25 CB MET A 154 -16.701 5.651 -0.560 1.00 0.00 C ATOM 26 CG MET A 154 -18.036 4.970 -0.307 1.00 0.00 C ATOM 27 SD MET A 154 -18.072 4.077 1.259 1.00 0.00 S ATOM 28 CE MET A 154 -19.596 4.696 1.967 1.00 0.00 C ATOM 0 H MET A 154 -18.141 7.549 -1.488 1.00 0.00 H new ATOM 0 HA MET A 154 -16.669 7.117 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 154 -16.485 5.623 -1.628 1.00 0.00 H new ATOM 0 HB3 MET A 154 -15.914 5.085 -0.061 1.00 0.00 H new ATOM 0 HG2 MET A 154 -18.828 5.718 -0.313 1.00 0.00 H new ATOM 0 HG3 MET A 154 -18.246 4.277 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 154 -19.758 4.235 2.941 1.00 0.00 H new ATOM 0 HE2 MET A 154 -19.530 5.778 2.084 1.00 0.00 H new ATOM 0 HE3 MET A 154 -20.429 4.452 1.307 1.00 0.00 H new ATOM 38 N GLU A 155 -14.235 7.124 -0.257 1.00 0.00 N ATOM 39 CA GLU A 155 -12.933 7.651 -0.650 1.00 0.00 C ATOM 40 C GLU A 155 -12.067 6.557 -1.268 1.00 0.00 C ATOM 41 O GLU A 155 -11.515 5.715 -0.559 1.00 0.00 O ATOM 42 CB GLU A 155 -12.219 8.259 0.558 1.00 0.00 C ATOM 43 CG GLU A 155 -11.156 9.279 0.186 1.00 0.00 C ATOM 44 CD GLU A 155 -9.749 8.717 0.284 1.00 0.00 C ATOM 45 OE1 GLU A 155 -9.528 7.817 1.119 1.00 0.00 O ATOM 46 OE2 GLU A 155 -8.873 9.180 -0.475 1.00 0.00 O ATOM 0 H GLU A 155 -14.197 6.241 0.251 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.095 8.428 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.957 8.735 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -11.757 7.459 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -11.334 9.629 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -11.244 10.146 0.841 1.00 0.00 H new ATOM 53 N THR A 156 -11.956 6.574 -2.591 1.00 0.00 N ATOM 54 CA THR A 156 -11.160 5.586 -3.305 1.00 0.00 C ATOM 55 C THR A 156 -9.709 6.039 -3.428 1.00 0.00 C ATOM 56 O THR A 156 -9.434 7.189 -3.767 1.00 0.00 O ATOM 57 CB THR A 156 -11.746 5.339 -4.688 1.00 0.00 C ATOM 58 OG1 THR A 156 -13.142 5.580 -4.693 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.518 3.931 -5.196 1.00 0.00 C ATOM 0 H THR A 156 -12.409 7.263 -3.191 1.00 0.00 H new ATOM 0 HA THR A 156 -11.183 4.657 -2.735 1.00 0.00 H new ATOM 0 HB THR A 156 -11.224 6.032 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 156 -13.499 5.417 -5.591 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.961 3.825 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 156 -10.448 3.734 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.981 3.218 -4.513 1.00 0.00 H new ATOM 67 N LYS A 157 -8.783 5.125 -3.150 1.00 0.00 N ATOM 68 CA LYS A 157 -7.361 5.430 -3.230 1.00 0.00 C ATOM 69 C LYS A 157 -6.557 4.188 -3.599 1.00 0.00 C ATOM 70 O LYS A 157 -6.691 3.139 -2.969 1.00 0.00 O ATOM 71 CB LYS A 157 -6.863 5.997 -1.899 1.00 0.00 C ATOM 72 CG LYS A 157 -7.090 7.492 -1.751 1.00 0.00 C ATOM 73 CD LYS A 157 -6.171 8.289 -2.666 1.00 0.00 C ATOM 74 CE LYS A 157 -4.862 8.633 -1.977 1.00 0.00 C ATOM 75 NZ LYS A 157 -3.778 7.673 -2.327 1.00 0.00 N ATOM 0 H LYS A 157 -8.994 4.168 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.220 6.177 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -7.366 5.479 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.798 5.788 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -8.129 7.728 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.919 7.786 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.968 7.714 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.672 9.206 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.558 9.641 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.010 8.635 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -2.861 8.058 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -3.949 6.766 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -3.765 7.524 -3.356 1.00 0.00 H new ATOM 89 N PHE A 158 -5.720 4.313 -4.625 1.00 0.00 N ATOM 90 CA PHE A 158 -4.894 3.199 -5.077 1.00 0.00 C ATOM 91 C PHE A 158 -3.452 3.643 -5.294 1.00 0.00 C ATOM 92 O PHE A 158 -3.197 4.757 -5.755 1.00 0.00 O ATOM 93 CB PHE A 158 -5.459 2.613 -6.373 1.00 0.00 C ATOM 94 CG PHE A 158 -6.694 1.781 -6.167 1.00 0.00 C ATOM 95 CD1 PHE A 158 -6.596 0.430 -5.886 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.952 2.355 -6.259 1.00 0.00 C ATOM 97 CE1 PHE A 158 -7.731 -0.337 -5.697 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.091 1.594 -6.071 1.00 0.00 C ATOM 99 CZ PHE A 158 -8.978 0.246 -5.788 1.00 0.00 C ATOM 0 H PHE A 158 -5.596 5.174 -5.158 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.906 2.432 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.690 3.427 -7.060 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.693 2.001 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -5.622 -0.031 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -8.044 3.408 -6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -7.641 -1.391 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -10.066 2.052 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 158 -9.866 -0.351 -5.638 1.00 0.00 H new ATOM 109 N VAL A 159 -2.511 2.768 -4.957 1.00 0.00 N ATOM 110 CA VAL A 159 -1.093 3.072 -5.113 1.00 0.00 C ATOM 111 C VAL A 159 -0.377 1.968 -5.883 1.00 0.00 C ATOM 112 O VAL A 159 -0.816 0.818 -5.891 1.00 0.00 O ATOM 113 CB VAL A 159 -0.403 3.259 -3.750 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.855 4.556 -3.098 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.683 2.072 -2.841 1.00 0.00 C ATOM 0 H VAL A 159 -2.704 1.843 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.031 4.005 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 159 0.673 3.316 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.357 4.672 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.598 5.396 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.934 4.531 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.187 2.223 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.758 1.980 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.306 1.161 -3.306 1.00 0.00 H new ATOM 125 N GLN A 160 0.727 2.324 -6.528 1.00 0.00 N ATOM 126 CA GLN A 160 1.507 1.365 -7.300 1.00 0.00 C ATOM 127 C GLN A 160 2.861 1.117 -6.642 1.00 0.00 C ATOM 128 O GLN A 160 3.696 2.017 -6.560 1.00 0.00 O ATOM 129 CB GLN A 160 1.704 1.865 -8.731 1.00 0.00 C ATOM 130 CG GLN A 160 1.684 0.759 -9.772 1.00 0.00 C ATOM 131 CD GLN A 160 2.720 0.961 -10.860 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.920 0.823 -10.624 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.259 1.291 -12.061 1.00 0.00 N ATOM 0 H GLN A 160 1.103 3.272 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 160 0.957 0.424 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.921 2.587 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.655 2.394 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.860 -0.199 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.693 0.709 -10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.255 1.395 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.908 1.441 -12.833 1.00 0.00 H new ATOM 142 N ALA A 161 3.068 -0.107 -6.172 1.00 0.00 N ATOM 143 CA ALA A 161 4.314 -0.473 -5.515 1.00 0.00 C ATOM 144 C ALA A 161 5.472 -0.530 -6.504 1.00 0.00 C ATOM 145 O ALA A 161 5.275 -0.765 -7.695 1.00 0.00 O ATOM 146 CB ALA A 161 4.159 -1.810 -4.808 1.00 0.00 C ATOM 0 H ALA A 161 2.387 -0.864 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 161 4.544 0.298 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.097 -2.074 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.369 -1.737 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.900 -2.579 -5.536 1.00 0.00 H new ATOM 152 N LEU A 162 6.682 -0.325 -5.995 1.00 0.00 N ATOM 153 CA LEU A 162 7.880 -0.364 -6.827 1.00 0.00 C ATOM 154 C LEU A 162 8.905 -1.341 -6.254 1.00 0.00 C ATOM 155 O LEU A 162 10.094 -1.257 -6.559 1.00 0.00 O ATOM 156 CB LEU A 162 8.496 1.030 -6.947 1.00 0.00 C ATOM 157 CG LEU A 162 8.528 1.829 -5.644 1.00 0.00 C ATOM 158 CD1 LEU A 162 9.939 2.306 -5.338 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.568 3.008 -5.716 1.00 0.00 C ATOM 0 H LEU A 162 6.860 -0.130 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 162 7.590 -0.707 -7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.515 0.931 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.936 1.597 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 162 8.208 1.173 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 162 9.938 2.872 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.600 1.445 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.292 2.943 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.605 3.565 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 162 7.856 3.662 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.555 2.642 -5.881 1.00 0.00 H new ATOM 171 N PHE A 163 8.433 -2.268 -5.423 1.00 0.00 N ATOM 172 CA PHE A 163 9.303 -3.263 -4.807 1.00 0.00 C ATOM 173 C PHE A 163 8.478 -4.337 -4.104 1.00 0.00 C ATOM 174 O PHE A 163 7.472 -4.038 -3.461 1.00 0.00 O ATOM 175 CB PHE A 163 10.251 -2.595 -3.809 1.00 0.00 C ATOM 176 CG PHE A 163 11.688 -2.999 -3.984 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.520 -2.297 -4.839 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.203 -4.084 -3.292 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.842 -2.666 -5.002 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.524 -4.459 -3.451 1.00 0.00 C ATOM 181 CZ PHE A 163 14.344 -3.750 -4.306 1.00 0.00 C ATOM 0 H PHE A 163 7.450 -2.349 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 163 9.892 -3.735 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.171 -1.513 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.933 -2.843 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.131 -1.450 -5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.566 -4.642 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.481 -2.109 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.914 -5.306 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.376 -4.042 -4.431 1.00 0.00 H new ATOM 191 N ASP A 164 8.908 -5.588 -4.229 1.00 0.00 N ATOM 192 CA ASP A 164 8.207 -6.703 -3.604 1.00 0.00 C ATOM 193 C ASP A 164 8.324 -6.638 -2.086 1.00 0.00 C ATOM 194 O ASP A 164 9.390 -6.337 -1.549 1.00 0.00 O ATOM 195 CB ASP A 164 8.764 -8.034 -4.115 1.00 0.00 C ATOM 196 CG ASP A 164 8.766 -8.118 -5.628 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.736 -8.530 -6.201 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.799 -7.771 -6.241 1.00 0.00 O ATOM 0 H ASP A 164 9.739 -5.855 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 164 7.153 -6.632 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.781 -8.165 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 164 8.170 -8.853 -3.709 1.00 0.00 H new ATOM 203 N PHE A 165 7.223 -6.922 -1.396 1.00 0.00 N ATOM 204 CA PHE A 165 7.207 -6.894 0.061 1.00 0.00 C ATOM 205 C PHE A 165 6.669 -8.204 0.627 1.00 0.00 C ATOM 206 O PHE A 165 5.478 -8.496 0.517 1.00 0.00 O ATOM 207 CB PHE A 165 6.358 -5.722 0.560 1.00 0.00 C ATOM 208 CG PHE A 165 6.802 -5.188 1.892 1.00 0.00 C ATOM 209 CD1 PHE A 165 7.903 -4.353 1.988 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.114 -5.518 3.051 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.313 -3.859 3.212 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.518 -5.028 4.277 1.00 0.00 C ATOM 213 CZ PHE A 165 7.618 -4.198 4.358 1.00 0.00 C ATOM 0 H PHE A 165 6.332 -7.174 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 165 8.232 -6.765 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.394 -4.918 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.318 -6.041 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.448 -4.085 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.252 -6.166 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.174 -3.210 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.974 -5.294 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 165 7.936 -3.814 5.316 1.00 0.00 H new ATOM 223 N ASN A 166 7.555 -8.988 1.232 1.00 0.00 N ATOM 224 CA ASN A 166 7.172 -10.267 1.818 1.00 0.00 C ATOM 225 C ASN A 166 7.228 -10.203 3.342 1.00 0.00 C ATOM 226 O ASN A 166 8.226 -10.587 3.951 1.00 0.00 O ATOM 227 CB ASN A 166 8.087 -11.382 1.308 1.00 0.00 C ATOM 228 CG ASN A 166 7.639 -12.755 1.768 1.00 0.00 C ATOM 229 OD1 ASN A 166 8.001 -13.207 2.852 1.00 0.00 O ATOM 230 ND2 ASN A 166 6.845 -13.425 0.941 1.00 0.00 N ATOM 0 H ASN A 166 8.544 -8.760 1.329 1.00 0.00 H new ATOM 0 HA ASN A 166 6.147 -10.484 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.112 -11.357 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 166 9.104 -11.200 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 166 6.510 -14.354 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 166 6.570 -13.010 0.051 1.00 0.00 H new ATOM 237 N PRO A 167 6.153 -9.710 3.980 1.00 0.00 N ATOM 238 CA PRO A 167 6.083 -9.594 5.437 1.00 0.00 C ATOM 239 C PRO A 167 5.812 -10.932 6.116 1.00 0.00 C ATOM 240 O PRO A 167 4.755 -11.534 5.924 1.00 0.00 O ATOM 241 CB PRO A 167 4.915 -8.636 5.653 1.00 0.00 C ATOM 242 CG PRO A 167 4.027 -8.852 4.475 1.00 0.00 C ATOM 243 CD PRO A 167 4.919 -9.228 3.327 1.00 0.00 C ATOM 0 HA PRO A 167 7.023 -9.248 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.394 -8.850 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.256 -7.602 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.302 -9.640 4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.461 -7.949 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.467 -10.002 2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.117 -8.375 2.679 1.00 0.00 H new ATOM 251 N GLN A 168 6.770 -11.386 6.914 1.00 0.00 N ATOM 252 CA GLN A 168 6.636 -12.651 7.628 1.00 0.00 C ATOM 253 C GLN A 168 5.794 -12.472 8.889 1.00 0.00 C ATOM 254 O GLN A 168 5.163 -13.416 9.364 1.00 0.00 O ATOM 255 CB GLN A 168 8.014 -13.205 7.993 1.00 0.00 C ATOM 256 CG GLN A 168 7.981 -14.647 8.469 1.00 0.00 C ATOM 257 CD GLN A 168 9.358 -15.282 8.497 1.00 0.00 C ATOM 258 OE1 GLN A 168 10.364 -14.602 8.706 1.00 0.00 O ATOM 259 NE2 GLN A 168 9.412 -16.591 8.285 1.00 0.00 N ATOM 0 H GLN A 168 7.649 -10.897 7.084 1.00 0.00 H new ATOM 0 HA GLN A 168 6.132 -13.361 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.668 -13.133 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.452 -12.583 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.546 -14.686 9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 168 7.330 -15.227 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.554 -17.116 8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.311 -17.072 8.291 1.00 0.00 H new ATOM 268 N GLU A 169 5.792 -11.256 9.427 1.00 0.00 N ATOM 269 CA GLU A 169 5.028 -10.956 10.632 1.00 0.00 C ATOM 270 C GLU A 169 3.676 -10.341 10.278 1.00 0.00 C ATOM 271 O GLU A 169 3.393 -10.071 9.111 1.00 0.00 O ATOM 272 CB GLU A 169 5.814 -10.001 11.534 1.00 0.00 C ATOM 273 CG GLU A 169 7.240 -10.453 11.799 1.00 0.00 C ATOM 274 CD GLU A 169 7.410 -11.080 13.168 1.00 0.00 C ATOM 275 OE1 GLU A 169 6.890 -10.509 14.151 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.061 -12.140 13.260 1.00 0.00 O ATOM 0 H GLU A 169 6.310 -10.464 9.048 1.00 0.00 H new ATOM 0 HA GLU A 169 4.855 -11.890 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.834 -9.013 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.291 -9.899 12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.537 -11.172 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.910 -9.598 11.710 1.00 0.00 H new ATOM 283 N SER A 170 2.847 -10.125 11.294 1.00 0.00 N ATOM 284 CA SER A 170 1.525 -9.543 11.089 1.00 0.00 C ATOM 285 C SER A 170 1.577 -8.021 11.181 1.00 0.00 C ATOM 286 O SER A 170 2.426 -7.460 11.871 1.00 0.00 O ATOM 287 CB SER A 170 0.536 -10.096 12.117 1.00 0.00 C ATOM 288 OG SER A 170 0.939 -11.375 12.576 1.00 0.00 O ATOM 0 H SER A 170 3.066 -10.344 12.266 1.00 0.00 H new ATOM 0 HA SER A 170 1.188 -9.815 10.089 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.462 -9.410 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.457 -10.162 11.672 1.00 0.00 H new ATOM 0 HG SER A 170 0.292 -11.706 13.233 1.00 0.00 H new ATOM 294 N GLY A 171 0.661 -7.363 10.480 1.00 0.00 N ATOM 295 CA GLY A 171 0.616 -5.913 10.492 1.00 0.00 C ATOM 296 C GLY A 171 0.970 -5.313 9.146 1.00 0.00 C ATOM 297 O GLY A 171 0.396 -4.305 8.737 1.00 0.00 O ATOM 0 H GLY A 171 -0.052 -7.809 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.383 -5.586 10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.306 -5.537 11.247 1.00 0.00 H new ATOM 301 N GLU A 172 1.915 -5.940 8.455 1.00 0.00 N ATOM 302 CA GLU A 172 2.346 -5.468 7.145 1.00 0.00 C ATOM 303 C GLU A 172 1.600 -6.201 6.035 1.00 0.00 C ATOM 304 O GLU A 172 1.384 -7.410 6.115 1.00 0.00 O ATOM 305 CB GLU A 172 3.854 -5.666 6.980 1.00 0.00 C ATOM 306 CG GLU A 172 4.677 -4.999 8.069 1.00 0.00 C ATOM 307 CD GLU A 172 6.165 -5.242 7.907 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.538 -6.173 7.162 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.959 -4.501 8.524 1.00 0.00 O ATOM 0 H GLU A 172 2.398 -6.777 8.781 1.00 0.00 H new ATOM 0 HA GLU A 172 2.117 -4.405 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.073 -6.734 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.160 -5.271 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.485 -3.926 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.356 -5.371 9.042 1.00 0.00 H new ATOM 316 N LEU A 173 1.198 -5.463 5.002 1.00 0.00 N ATOM 317 CA LEU A 173 0.470 -6.057 3.887 1.00 0.00 C ATOM 318 C LEU A 173 1.435 -6.702 2.892 1.00 0.00 C ATOM 319 O LEU A 173 2.553 -6.222 2.701 1.00 0.00 O ATOM 320 CB LEU A 173 -0.415 -4.998 3.201 1.00 0.00 C ATOM 321 CG LEU A 173 -0.321 -4.912 1.673 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.173 -5.997 1.032 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.756 -3.537 1.192 1.00 0.00 C ATOM 0 H LEU A 173 1.363 -4.460 4.915 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.179 -6.842 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.453 -5.196 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.161 -4.022 3.614 1.00 0.00 H new ATOM 0 HG LEU A 173 0.717 -5.066 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.098 -5.925 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.820 -6.976 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.213 -5.868 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.684 -3.492 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.787 -3.355 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.110 -2.777 1.631 1.00 0.00 H new ATOM 335 N ALA A 174 0.994 -7.783 2.258 1.00 0.00 N ATOM 336 CA ALA A 174 1.818 -8.481 1.277 1.00 0.00 C ATOM 337 C ALA A 174 1.505 -7.997 -0.134 1.00 0.00 C ATOM 338 O ALA A 174 0.425 -8.257 -0.664 1.00 0.00 O ATOM 339 CB ALA A 174 1.605 -9.983 1.384 1.00 0.00 C ATOM 0 H ALA A 174 0.072 -8.195 2.405 1.00 0.00 H new ATOM 0 HA ALA A 174 2.865 -8.261 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.226 -10.492 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.880 -10.319 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.556 -10.216 1.199 1.00 0.00 H new ATOM 345 N PHE A 175 2.451 -7.285 -0.735 1.00 0.00 N ATOM 346 CA PHE A 175 2.267 -6.757 -2.081 1.00 0.00 C ATOM 347 C PHE A 175 3.514 -6.974 -2.933 1.00 0.00 C ATOM 348 O PHE A 175 4.615 -7.145 -2.412 1.00 0.00 O ATOM 349 CB PHE A 175 1.932 -5.267 -2.023 1.00 0.00 C ATOM 350 CG PHE A 175 2.930 -4.453 -1.249 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.089 -4.642 0.116 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.709 -3.500 -1.885 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.006 -3.894 0.830 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.628 -2.750 -1.176 1.00 0.00 C ATOM 355 CZ PHE A 175 4.778 -2.947 0.182 1.00 0.00 C ATOM 0 H PHE A 175 3.352 -7.060 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 175 1.439 -7.295 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.869 -4.878 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 175 0.947 -5.142 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.490 -5.382 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.597 -3.341 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.120 -4.049 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.229 -2.010 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.497 -2.363 0.737 1.00 0.00 H new ATOM 365 N LYS A 176 3.329 -6.962 -4.251 1.00 0.00 N ATOM 366 CA LYS A 176 4.436 -7.153 -5.181 1.00 0.00 C ATOM 367 C LYS A 176 4.760 -5.851 -5.905 1.00 0.00 C ATOM 368 O LYS A 176 4.258 -4.786 -5.542 1.00 0.00 O ATOM 369 CB LYS A 176 4.095 -8.251 -6.193 1.00 0.00 C ATOM 370 CG LYS A 176 2.957 -7.883 -7.132 1.00 0.00 C ATOM 371 CD LYS A 176 2.722 -8.967 -8.173 1.00 0.00 C ATOM 372 CE LYS A 176 1.793 -10.050 -7.648 1.00 0.00 C ATOM 373 NZ LYS A 176 2.188 -11.402 -8.133 1.00 0.00 N ATOM 0 H LYS A 176 2.423 -6.822 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 176 5.314 -7.459 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 176 4.983 -8.478 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 176 3.830 -9.161 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 176 2.045 -7.726 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 176 3.185 -6.941 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 176 2.294 -8.523 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 176 3.675 -9.411 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 176 1.801 -10.038 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 176 0.771 -9.836 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 1.531 -12.113 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 2.156 -11.421 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 3.154 -11.617 -7.812 1.00 0.00 H new ATOM 387 N ARG A 177 5.605 -5.938 -6.928 1.00 0.00 N ATOM 388 CA ARG A 177 5.997 -4.763 -7.696 1.00 0.00 C ATOM 389 C ARG A 177 4.890 -4.336 -8.656 1.00 0.00 C ATOM 390 O ARG A 177 4.281 -5.168 -9.331 1.00 0.00 O ATOM 391 CB ARG A 177 7.285 -5.041 -8.473 1.00 0.00 C ATOM 392 CG ARG A 177 8.457 -4.182 -8.032 1.00 0.00 C ATOM 393 CD ARG A 177 9.746 -4.601 -8.722 1.00 0.00 C ATOM 394 NE ARG A 177 10.600 -3.455 -9.028 1.00 0.00 N ATOM 395 CZ ARG A 177 11.592 -3.486 -9.914 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.860 -4.601 -10.583 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.320 -2.399 -10.132 1.00 0.00 N ATOM 0 H ARG A 177 6.031 -6.810 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 177 6.172 -3.948 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.551 -6.092 -8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 177 7.102 -4.875 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.247 -3.136 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.580 -4.259 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.289 -5.298 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.508 -5.132 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 177 10.425 -2.580 -8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 177 11.304 -5.440 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 177 12.622 -4.618 -11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.119 -1.540 -9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 177 13.081 -2.422 -10.811 1.00 0.00 H new ATOM 411 N GLY A 178 4.640 -3.032 -8.714 1.00 0.00 N ATOM 412 CA GLY A 178 3.612 -2.509 -9.594 1.00 0.00 C ATOM 413 C GLY A 178 2.224 -2.990 -9.222 1.00 0.00 C ATOM 414 O GLY A 178 1.290 -2.887 -10.017 1.00 0.00 O ATOM 0 H GLY A 178 5.132 -2.327 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.634 -1.420 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.832 -2.805 -10.620 1.00 0.00 H new ATOM 418 N ASP A 179 2.087 -3.519 -8.011 1.00 0.00 N ATOM 419 CA ASP A 179 0.806 -4.017 -7.536 1.00 0.00 C ATOM 420 C ASP A 179 -0.082 -2.870 -7.065 1.00 0.00 C ATOM 421 O ASP A 179 0.262 -2.153 -6.124 1.00 0.00 O ATOM 422 CB ASP A 179 1.018 -5.017 -6.401 1.00 0.00 C ATOM 423 CG ASP A 179 -0.265 -5.714 -5.992 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.349 -5.264 -6.424 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.187 -6.709 -5.242 1.00 0.00 O ATOM 0 H ASP A 179 2.850 -3.613 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 179 0.306 -4.519 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.750 -5.763 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.437 -4.499 -5.538 1.00 0.00 H new ATOM 430 N VAL A 180 -1.225 -2.702 -7.722 1.00 0.00 N ATOM 431 CA VAL A 180 -2.158 -1.640 -7.363 1.00 0.00 C ATOM 432 C VAL A 180 -2.812 -1.927 -6.017 1.00 0.00 C ATOM 433 O VAL A 180 -3.776 -2.688 -5.932 1.00 0.00 O ATOM 434 CB VAL A 180 -3.256 -1.471 -8.433 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.139 -0.275 -8.111 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.639 -1.329 -9.816 1.00 0.00 C ATOM 0 H VAL A 180 -1.527 -3.285 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.584 -0.716 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.879 -2.365 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.907 -0.173 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.612 -0.423 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.531 0.629 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.430 -1.211 -10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.989 -0.454 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.055 -2.220 -10.047 1.00 0.00 H new ATOM 446 N ILE A 181 -2.277 -1.317 -4.964 1.00 0.00 N ATOM 447 CA ILE A 181 -2.804 -1.512 -3.619 1.00 0.00 C ATOM 448 C ILE A 181 -3.840 -0.448 -3.271 1.00 0.00 C ATOM 449 O ILE A 181 -3.659 0.732 -3.571 1.00 0.00 O ATOM 450 CB ILE A 181 -1.680 -1.483 -2.565 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.560 -2.450 -2.953 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.230 -1.828 -1.189 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.827 -1.911 -2.678 1.00 0.00 C ATOM 0 H ILE A 181 -1.479 -0.684 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.279 -2.493 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.268 -0.475 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.693 -3.384 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.646 -2.685 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.422 -1.803 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.995 -1.103 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.668 -2.826 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.570 -2.650 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.979 -0.992 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.932 -1.702 -1.613 1.00 0.00 H new ATOM 465 N THR A 182 -4.922 -0.875 -2.627 1.00 0.00 N ATOM 466 CA THR A 182 -5.984 0.040 -2.228 1.00 0.00 C ATOM 467 C THR A 182 -5.672 0.666 -0.875 1.00 0.00 C ATOM 468 O THR A 182 -5.889 0.052 0.169 1.00 0.00 O ATOM 469 CB THR A 182 -7.324 -0.694 -2.167 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.423 -1.644 -3.214 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.518 0.229 -2.272 1.00 0.00 C ATOM 0 H THR A 182 -5.086 -1.849 -2.371 1.00 0.00 H new ATOM 0 HA THR A 182 -6.049 0.833 -2.973 1.00 0.00 H new ATOM 0 HB THR A 182 -7.344 -1.177 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 182 -8.029 -1.306 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.436 -0.357 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.498 0.944 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.481 0.765 -3.220 1.00 0.00 H new ATOM 479 N LEU A 183 -5.153 1.890 -0.900 1.00 0.00 N ATOM 480 CA LEU A 183 -4.799 2.602 0.325 1.00 0.00 C ATOM 481 C LEU A 183 -5.944 2.575 1.336 1.00 0.00 C ATOM 482 O LEU A 183 -7.058 3.007 1.038 1.00 0.00 O ATOM 483 CB LEU A 183 -4.422 4.048 0.011 1.00 0.00 C ATOM 484 CG LEU A 183 -3.823 4.827 1.183 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.524 4.184 1.648 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.593 6.277 0.791 1.00 0.00 C ATOM 0 H LEU A 183 -4.968 2.411 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.941 2.093 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.707 4.051 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.312 4.572 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.530 4.801 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.114 4.754 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.719 3.161 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.807 4.177 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.166 6.819 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.905 6.321 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.542 6.733 0.510 1.00 0.00 H new ATOM 498 N ILE A 184 -5.655 2.072 2.531 1.00 0.00 N ATOM 499 CA ILE A 184 -6.652 1.997 3.591 1.00 0.00 C ATOM 500 C ILE A 184 -6.644 3.273 4.426 1.00 0.00 C ATOM 501 O ILE A 184 -7.696 3.771 4.829 1.00 0.00 O ATOM 502 CB ILE A 184 -6.403 0.789 4.515 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.310 -0.502 3.699 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.506 0.680 5.559 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.591 -1.620 4.421 1.00 0.00 C ATOM 0 H ILE A 184 -4.737 1.710 2.790 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.624 1.878 3.112 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.454 0.940 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.316 -0.834 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.794 -0.294 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.314 -0.178 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.528 1.588 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.467 0.552 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.562 -2.504 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.573 -1.307 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.119 -1.855 5.345 1.00 0.00 H new ATOM 517 N ASN A 185 -5.449 3.800 4.675 1.00 0.00 N ATOM 518 CA ASN A 185 -5.295 5.023 5.456 1.00 0.00 C ATOM 519 C ASN A 185 -3.828 5.434 5.536 1.00 0.00 C ATOM 520 O ASN A 185 -2.943 4.701 5.095 1.00 0.00 O ATOM 521 CB ASN A 185 -5.870 4.838 6.863 1.00 0.00 C ATOM 522 CG ASN A 185 -5.085 3.833 7.684 1.00 0.00 C ATOM 523 OD1 ASN A 185 -4.323 4.203 8.576 1.00 0.00 O ATOM 524 ND2 ASN A 185 -5.272 2.554 7.385 1.00 0.00 N ATOM 0 H ASN A 185 -4.571 3.398 4.346 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.848 5.817 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.876 5.798 7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.907 4.510 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -4.773 1.831 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.914 2.294 6.637 1.00 0.00 H new ATOM 531 N LYS A 186 -3.579 6.608 6.104 1.00 0.00 N ATOM 532 CA LYS A 186 -2.222 7.119 6.247 1.00 0.00 C ATOM 533 C LYS A 186 -1.910 7.419 7.709 1.00 0.00 C ATOM 534 O LYS A 186 -1.537 8.537 8.060 1.00 0.00 O ATOM 535 CB LYS A 186 -2.038 8.382 5.404 1.00 0.00 C ATOM 536 CG LYS A 186 -1.733 8.101 3.942 1.00 0.00 C ATOM 537 CD LYS A 186 -1.376 9.374 3.192 1.00 0.00 C ATOM 538 CE LYS A 186 -2.521 10.375 3.217 1.00 0.00 C ATOM 539 NZ LYS A 186 -2.460 11.315 2.066 1.00 0.00 N ATOM 0 H LYS A 186 -4.302 7.225 6.474 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.531 6.353 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.943 8.986 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.228 8.976 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.908 7.392 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.598 7.631 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -0.489 9.823 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.126 9.131 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -3.471 9.841 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -2.490 10.939 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -3.257 11.981 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -1.565 11.843 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -2.516 10.779 1.177 1.00 0.00 H new ATOM 553 N ASP A 187 -2.068 6.411 8.561 1.00 0.00 N ATOM 554 CA ASP A 187 -1.808 6.566 9.987 1.00 0.00 C ATOM 555 C ASP A 187 -0.392 7.081 10.236 1.00 0.00 C ATOM 556 O ASP A 187 -0.112 7.669 11.282 1.00 0.00 O ATOM 557 CB ASP A 187 -2.011 5.234 10.712 1.00 0.00 C ATOM 558 CG ASP A 187 -2.271 5.418 12.194 1.00 0.00 C ATOM 559 OD1 ASP A 187 -1.310 5.719 12.933 1.00 0.00 O ATOM 560 OD2 ASP A 187 -3.436 5.260 12.618 1.00 0.00 O ATOM 0 H ASP A 187 -2.375 5.477 8.288 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.514 7.299 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.849 4.702 10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.128 4.610 10.575 1.00 0.00 H new ATOM 565 N ASP A 188 0.496 6.862 9.272 1.00 0.00 N ATOM 566 CA ASP A 188 1.880 7.307 9.393 1.00 0.00 C ATOM 567 C ASP A 188 2.356 7.953 8.092 1.00 0.00 C ATOM 568 O ASP A 188 2.194 7.382 7.015 1.00 0.00 O ATOM 569 CB ASP A 188 2.786 6.129 9.751 1.00 0.00 C ATOM 570 CG ASP A 188 4.227 6.550 9.963 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.486 7.324 10.909 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.096 6.105 9.186 1.00 0.00 O ATOM 0 H ASP A 188 0.283 6.380 8.399 1.00 0.00 H new ATOM 0 HA ASP A 188 1.931 8.050 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.414 5.650 10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.741 5.385 8.956 1.00 0.00 H new ATOM 577 N PRO A 189 2.956 9.155 8.171 1.00 0.00 N ATOM 578 CA PRO A 189 3.451 9.871 6.991 1.00 0.00 C ATOM 579 C PRO A 189 4.396 9.023 6.143 1.00 0.00 C ATOM 580 O PRO A 189 4.585 9.291 4.956 1.00 0.00 O ATOM 581 CB PRO A 189 4.195 11.083 7.573 1.00 0.00 C ATOM 582 CG PRO A 189 4.358 10.789 9.028 1.00 0.00 C ATOM 583 CD PRO A 189 3.202 9.913 9.406 1.00 0.00 C ATOM 0 HA PRO A 189 2.635 10.143 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.162 11.219 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.629 12.002 7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.306 10.288 9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.359 11.708 9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.447 9.258 10.242 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.331 10.497 9.703 1.00 0.00 H new ATOM 591 N ASN A 190 4.988 8.003 6.754 1.00 0.00 N ATOM 592 CA ASN A 190 5.913 7.125 6.045 1.00 0.00 C ATOM 593 C ASN A 190 5.298 5.754 5.806 1.00 0.00 C ATOM 594 O ASN A 190 5.531 5.128 4.772 1.00 0.00 O ATOM 595 CB ASN A 190 7.208 6.966 6.838 1.00 0.00 C ATOM 596 CG ASN A 190 8.183 8.090 6.574 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.466 8.907 7.451 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.703 8.136 5.355 1.00 0.00 N ATOM 0 H ASN A 190 4.845 7.764 7.735 1.00 0.00 H new ATOM 0 HA ASN A 190 6.129 7.584 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.978 6.930 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.675 6.015 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.368 8.870 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.438 7.437 4.661 1.00 0.00 H new ATOM 605 N TRP A 191 4.519 5.287 6.774 1.00 0.00 N ATOM 606 CA TRP A 191 3.882 3.982 6.674 1.00 0.00 C ATOM 607 C TRP A 191 2.406 4.121 6.319 1.00 0.00 C ATOM 608 O TRP A 191 1.602 4.586 7.127 1.00 0.00 O ATOM 609 CB TRP A 191 4.045 3.222 7.990 1.00 0.00 C ATOM 610 CG TRP A 191 5.355 2.500 8.096 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.571 3.051 8.376 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.577 1.097 7.920 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.538 2.076 8.385 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.954 0.869 8.108 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.748 0.012 7.624 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.518 -0.401 8.009 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.311 -1.248 7.526 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.683 -1.444 7.718 1.00 0.00 C ATOM 0 H TRP A 191 4.314 5.793 7.636 1.00 0.00 H new ATOM 0 HA TRP A 191 4.368 3.420 5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.955 3.922 8.820 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.232 2.503 8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.747 4.100 8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.530 2.227 8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.688 0.154 7.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.577 -0.556 8.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.681 -2.095 7.297 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.091 -2.440 7.635 1.00 0.00 H new ATOM 629 N TRP A 192 2.061 3.714 5.102 1.00 0.00 N ATOM 630 CA TRP A 192 0.685 3.791 4.629 1.00 0.00 C ATOM 631 C TRP A 192 0.045 2.408 4.587 1.00 0.00 C ATOM 632 O TRP A 192 0.687 1.426 4.213 1.00 0.00 O ATOM 633 CB TRP A 192 0.640 4.425 3.237 1.00 0.00 C ATOM 634 CG TRP A 192 0.971 5.887 3.231 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.430 6.629 4.280 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.868 6.783 2.119 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.621 7.931 3.888 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.283 8.052 2.566 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.467 6.636 0.787 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.309 9.165 1.729 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.493 7.742 -0.042 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.911 8.991 0.432 1.00 0.00 C ATOM 0 H TRP A 192 2.718 3.327 4.424 1.00 0.00 H new ATOM 0 HA TRP A 192 0.122 4.412 5.326 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.339 3.900 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.355 4.285 2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.616 6.248 5.273 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.960 8.686 4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.143 5.676 0.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.632 10.130 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.186 7.641 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.919 9.836 -0.241 1.00 0.00 H new ATOM 653 N GLU A 193 -1.225 2.339 4.968 1.00 0.00 N ATOM 654 CA GLU A 193 -1.955 1.079 4.966 1.00 0.00 C ATOM 655 C GLU A 193 -2.634 0.861 3.620 1.00 0.00 C ATOM 656 O GLU A 193 -3.008 1.821 2.944 1.00 0.00 O ATOM 657 CB GLU A 193 -2.995 1.068 6.089 1.00 0.00 C ATOM 658 CG GLU A 193 -3.524 -0.320 6.416 1.00 0.00 C ATOM 659 CD GLU A 193 -3.209 -0.747 7.836 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.221 0.120 8.734 1.00 0.00 O ATOM 661 OE2 GLU A 193 -2.949 -1.950 8.049 1.00 0.00 O ATOM 0 H GLU A 193 -1.770 3.142 5.282 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.247 0.268 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.553 1.500 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.830 1.708 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.604 -0.337 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.095 -1.041 5.720 1.00 0.00 H new ATOM 668 N GLY A 194 -2.788 -0.400 3.226 1.00 0.00 N ATOM 669 CA GLY A 194 -3.419 -0.694 1.952 1.00 0.00 C ATOM 670 C GLY A 194 -4.076 -2.059 1.925 1.00 0.00 C ATOM 671 O GLY A 194 -3.743 -2.935 2.723 1.00 0.00 O ATOM 0 H GLY A 194 -2.490 -1.216 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.167 0.069 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.672 -0.639 1.160 1.00 0.00 H new ATOM 675 N GLN A 195 -5.013 -2.239 1.000 1.00 0.00 N ATOM 676 CA GLN A 195 -5.724 -3.503 0.865 1.00 0.00 C ATOM 677 C GLN A 195 -5.599 -4.057 -0.550 1.00 0.00 C ATOM 678 O GLN A 195 -6.034 -3.429 -1.516 1.00 0.00 O ATOM 679 CB GLN A 195 -7.195 -3.325 1.217 1.00 0.00 C ATOM 680 CG GLN A 195 -7.859 -4.598 1.717 1.00 0.00 C ATOM 681 CD GLN A 195 -9.159 -4.327 2.450 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.361 -3.247 3.003 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.050 -5.313 2.456 1.00 0.00 N ATOM 0 H GLN A 195 -5.297 -1.523 0.332 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.271 -4.214 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.286 -2.553 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.730 -2.967 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -8.053 -5.258 0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.174 -5.124 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.840 -6.193 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.943 -5.190 2.932 1.00 0.00 H new ATOM 692 N LEU A 196 -5.007 -5.241 -0.664 1.00 0.00 N ATOM 693 CA LEU A 196 -4.833 -5.884 -1.960 1.00 0.00 C ATOM 694 C LEU A 196 -5.860 -6.995 -2.148 1.00 0.00 C ATOM 695 O LEU A 196 -5.669 -8.116 -1.675 1.00 0.00 O ATOM 696 CB LEU A 196 -3.418 -6.451 -2.090 1.00 0.00 C ATOM 697 CG LEU A 196 -2.378 -5.480 -2.650 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.006 -6.135 -2.695 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.785 -5.000 -4.035 1.00 0.00 C ATOM 0 H LEU A 196 -4.640 -5.774 0.125 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.983 -5.134 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -3.086 -6.787 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.454 -7.331 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.325 -4.615 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.279 -5.429 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.710 -6.428 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.045 -7.018 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.032 -4.310 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -2.868 -5.855 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -3.747 -4.491 -3.976 1.00 0.00 H new ATOM 711 N ASN A 197 -6.951 -6.673 -2.840 1.00 0.00 N ATOM 712 CA ASN A 197 -8.023 -7.636 -3.096 1.00 0.00 C ATOM 713 C ASN A 197 -8.930 -7.783 -1.879 1.00 0.00 C ATOM 714 O ASN A 197 -10.145 -7.612 -1.974 1.00 0.00 O ATOM 715 CB ASN A 197 -7.451 -9.000 -3.492 1.00 0.00 C ATOM 716 CG ASN A 197 -8.327 -9.724 -4.497 1.00 0.00 C ATOM 717 OD1 ASN A 197 -9.544 -9.545 -4.520 1.00 0.00 O ATOM 718 ND2 ASN A 197 -7.706 -10.548 -5.335 1.00 0.00 N ATOM 0 H ASN A 197 -7.117 -5.748 -3.236 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.617 -7.253 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.455 -8.865 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.339 -9.617 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -8.241 -11.063 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -6.694 -10.665 -5.279 1.00 0.00 H new ATOM 725 N ASN A 198 -8.335 -8.106 -0.737 1.00 0.00 N ATOM 726 CA ASN A 198 -9.094 -8.279 0.498 1.00 0.00 C ATOM 727 C ASN A 198 -8.200 -8.149 1.729 1.00 0.00 C ATOM 728 O ASN A 198 -8.624 -7.623 2.759 1.00 0.00 O ATOM 729 CB ASN A 198 -9.790 -9.641 0.504 1.00 0.00 C ATOM 730 CG ASN A 198 -8.844 -10.774 0.164 1.00 0.00 C ATOM 731 OD1 ASN A 198 -7.637 -10.571 0.022 1.00 0.00 O ATOM 732 ND2 ASN A 198 -9.386 -11.980 0.036 1.00 0.00 N ATOM 0 H ASN A 198 -7.330 -8.254 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.843 -7.488 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -10.227 -9.818 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -10.611 -9.630 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -8.798 -12.782 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.391 -12.104 0.162 1.00 0.00 H new ATOM 739 N ARG A 199 -6.969 -8.637 1.621 1.00 0.00 N ATOM 740 CA ARG A 199 -6.026 -8.582 2.728 1.00 0.00 C ATOM 741 C ARG A 199 -5.577 -7.148 3.005 1.00 0.00 C ATOM 742 O ARG A 199 -5.361 -6.363 2.083 1.00 0.00 O ATOM 743 CB ARG A 199 -4.812 -9.458 2.421 1.00 0.00 C ATOM 744 CG ARG A 199 -3.989 -8.968 1.240 1.00 0.00 C ATOM 745 CD ARG A 199 -2.746 -9.818 1.031 1.00 0.00 C ATOM 746 NE ARG A 199 -2.058 -10.106 2.290 1.00 0.00 N ATOM 747 CZ ARG A 199 -2.337 -11.149 3.069 1.00 0.00 C ATOM 748 NH1 ARG A 199 -3.291 -12.008 2.732 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.657 -11.334 4.194 1.00 0.00 N ATOM 0 H ARG A 199 -6.602 -9.075 0.776 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.529 -8.956 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.174 -9.502 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -5.150 -10.475 2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.600 -8.988 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.697 -7.931 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -3.025 -10.755 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -2.064 -9.302 0.355 1.00 0.00 H new ATOM 0 HE ARG A 199 -1.320 -9.469 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.818 -11.872 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -3.497 -12.804 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -0.923 -10.678 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -1.869 -12.132 4.793 1.00 0.00 H new ATOM 763 N ARG A 200 -5.436 -6.821 4.286 1.00 0.00 N ATOM 764 CA ARG A 200 -5.012 -5.490 4.702 1.00 0.00 C ATOM 765 C ARG A 200 -3.596 -5.534 5.269 1.00 0.00 C ATOM 766 O ARG A 200 -3.112 -6.597 5.659 1.00 0.00 O ATOM 767 CB ARG A 200 -5.975 -4.937 5.754 1.00 0.00 C ATOM 768 CG ARG A 200 -7.165 -4.195 5.168 1.00 0.00 C ATOM 769 CD ARG A 200 -8.475 -4.901 5.476 1.00 0.00 C ATOM 770 NE ARG A 200 -8.446 -6.309 5.079 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.286 -7.228 5.550 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.223 -6.894 6.429 1.00 0.00 N ATOM 773 NH2 ARG A 200 -9.188 -8.485 5.140 1.00 0.00 N ATOM 0 H ARG A 200 -5.611 -7.465 5.058 1.00 0.00 H new ATOM 0 HA ARG A 200 -5.020 -4.836 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.339 -5.761 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.429 -4.264 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.195 -3.182 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.044 -4.108 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.683 -4.830 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -9.290 -4.395 4.958 1.00 0.00 H new ATOM 0 HE ARG A 200 -7.742 -6.603 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.303 -5.928 6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -10.863 -7.603 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -8.470 -8.747 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -9.831 -9.190 5.500 1.00 0.00 H new ATOM 787 N GLY A 201 -2.932 -4.382 5.313 1.00 0.00 N ATOM 788 CA GLY A 201 -1.579 -4.339 5.836 1.00 0.00 C ATOM 789 C GLY A 201 -0.929 -2.979 5.686 1.00 0.00 C ATOM 790 O GLY A 201 -1.347 -2.170 4.857 1.00 0.00 O ATOM 0 H GLY A 201 -3.303 -3.485 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.594 -4.614 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.973 -5.084 5.321 1.00 0.00 H new ATOM 794 N ILE A 202 0.104 -2.731 6.483 1.00 0.00 N ATOM 795 CA ILE A 202 0.825 -1.462 6.433 1.00 0.00 C ATOM 796 C ILE A 202 2.183 -1.639 5.767 1.00 0.00 C ATOM 797 O ILE A 202 2.771 -2.719 5.813 1.00 0.00 O ATOM 798 CB ILE A 202 1.029 -0.865 7.838 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.682 -1.892 8.767 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.298 -0.390 8.411 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.824 -1.327 9.583 1.00 0.00 C ATOM 0 H ILE A 202 0.462 -3.392 7.173 1.00 0.00 H new ATOM 0 HA ILE A 202 0.215 -0.775 5.847 1.00 0.00 H new ATOM 0 HB ILE A 202 1.695 -0.006 7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.926 -2.291 9.443 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.050 -2.727 8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.136 0.029 9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.723 0.374 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -0.987 -1.232 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.239 -2.109 10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.599 -0.953 8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.457 -0.511 10.206 1.00 0.00 H new ATOM 813 N PHE A 203 2.675 -0.575 5.145 1.00 0.00 N ATOM 814 CA PHE A 203 3.963 -0.621 4.467 1.00 0.00 C ATOM 815 C PHE A 203 4.463 0.784 4.147 1.00 0.00 C ATOM 816 O PHE A 203 3.666 1.699 3.935 1.00 0.00 O ATOM 817 CB PHE A 203 3.846 -1.435 3.176 1.00 0.00 C ATOM 818 CG PHE A 203 3.011 -0.766 2.119 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.512 0.306 1.393 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.724 -1.204 1.856 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.742 0.926 0.427 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.951 -0.589 0.890 1.00 0.00 C ATOM 823 CZ PHE A 203 1.460 0.477 0.175 1.00 0.00 C ATOM 0 H PHE A 203 2.203 0.328 5.096 1.00 0.00 H new ATOM 0 HA PHE A 203 4.681 -1.099 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.845 -1.616 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.414 -2.408 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.514 0.659 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.320 -2.036 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.142 1.760 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.051 -0.942 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.857 0.959 -0.580 1.00 0.00 H new ATOM 833 N PRO A 204 5.791 0.974 4.087 1.00 0.00 N ATOM 834 CA PRO A 204 6.380 2.274 3.768 1.00 0.00 C ATOM 835 C PRO A 204 5.932 2.759 2.396 1.00 0.00 C ATOM 836 O PRO A 204 6.303 2.182 1.375 1.00 0.00 O ATOM 837 CB PRO A 204 7.891 2.008 3.778 1.00 0.00 C ATOM 838 CG PRO A 204 8.058 0.746 4.556 1.00 0.00 C ATOM 839 CD PRO A 204 6.816 -0.060 4.306 1.00 0.00 C ATOM 0 HA PRO A 204 6.080 3.049 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.279 1.901 2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.433 2.832 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.947 0.204 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.180 0.956 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.925 -0.711 3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.571 -0.698 5.155 1.00 0.00 H new ATOM 847 N SER A 205 5.126 3.817 2.373 1.00 0.00 N ATOM 848 CA SER A 205 4.626 4.361 1.118 1.00 0.00 C ATOM 849 C SER A 205 5.771 4.716 0.176 1.00 0.00 C ATOM 850 O SER A 205 5.588 4.793 -1.038 1.00 0.00 O ATOM 851 CB SER A 205 3.757 5.586 1.380 1.00 0.00 C ATOM 852 OG SER A 205 4.300 6.390 2.412 1.00 0.00 O ATOM 0 H SER A 205 4.807 4.312 3.206 1.00 0.00 H new ATOM 0 HA SER A 205 4.019 3.594 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.668 6.174 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.751 5.269 1.654 1.00 0.00 H new ATOM 0 HG SER A 205 3.606 6.580 3.078 1.00 0.00 H new ATOM 858 N ASN A 206 6.960 4.913 0.737 1.00 0.00 N ATOM 859 CA ASN A 206 8.130 5.237 -0.066 1.00 0.00 C ATOM 860 C ASN A 206 8.435 4.106 -1.048 1.00 0.00 C ATOM 861 O ASN A 206 9.163 4.298 -2.022 1.00 0.00 O ATOM 862 CB ASN A 206 9.337 5.496 0.834 1.00 0.00 C ATOM 863 CG ASN A 206 9.872 6.901 0.701 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.351 7.714 -0.061 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.923 7.193 1.452 1.00 0.00 N ATOM 0 H ASN A 206 7.137 4.854 1.740 1.00 0.00 H new ATOM 0 HA ASN A 206 7.918 6.142 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 206 9.057 5.315 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 206 10.127 4.786 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.334 8.126 1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.321 6.485 2.069 1.00 0.00 H new ATOM 872 N TYR A 207 7.875 2.924 -0.782 1.00 0.00 N ATOM 873 CA TYR A 207 8.086 1.767 -1.640 1.00 0.00 C ATOM 874 C TYR A 207 6.970 1.632 -2.673 1.00 0.00 C ATOM 875 O TYR A 207 6.785 0.565 -3.258 1.00 0.00 O ATOM 876 CB TYR A 207 8.157 0.495 -0.793 1.00 0.00 C ATOM 877 CG TYR A 207 9.560 -0.042 -0.621 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.412 -0.175 -1.709 1.00 0.00 C ATOM 879 CD2 TYR A 207 10.031 -0.417 0.631 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.694 -0.666 -1.554 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.312 -0.910 0.793 1.00 0.00 C ATOM 882 CZ TYR A 207 12.140 -1.032 -0.303 1.00 0.00 C ATOM 883 OH TYR A 207 13.418 -1.521 -0.146 1.00 0.00 O ATOM 0 H TYR A 207 7.273 2.748 0.022 1.00 0.00 H new ATOM 0 HA TYR A 207 9.028 1.909 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.732 0.699 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.537 -0.274 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.067 0.110 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.386 -0.322 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.344 -0.763 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.663 -1.198 1.773 1.00 0.00 H new ATOM 0 HH TYR A 207 13.574 -1.731 0.798 1.00 0.00 H new ATOM 893 N VAL A 208 6.226 2.711 -2.892 1.00 0.00 N ATOM 894 CA VAL A 208 5.131 2.690 -3.854 1.00 0.00 C ATOM 895 C VAL A 208 4.935 4.059 -4.504 1.00 0.00 C ATOM 896 O VAL A 208 5.775 4.949 -4.368 1.00 0.00 O ATOM 897 CB VAL A 208 3.810 2.232 -3.190 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.048 1.017 -2.308 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.186 3.351 -2.372 1.00 0.00 C ATOM 0 H VAL A 208 6.360 3.605 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 208 5.400 1.972 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 208 3.117 1.963 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.108 0.710 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.441 0.200 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.766 1.269 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.260 2.997 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.879 3.659 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.971 4.200 -3.021 1.00 0.00 H new ATOM 909 N ALA A 209 3.819 4.218 -5.208 1.00 0.00 N ATOM 910 CA ALA A 209 3.507 5.474 -5.879 1.00 0.00 C ATOM 911 C ALA A 209 2.017 5.562 -6.207 1.00 0.00 C ATOM 912 O ALA A 209 1.510 4.784 -7.013 1.00 0.00 O ATOM 913 CB ALA A 209 4.337 5.612 -7.148 1.00 0.00 C ATOM 0 H ALA A 209 3.114 3.491 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 209 3.755 6.293 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.095 6.554 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.397 5.597 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.114 4.784 -7.820 1.00 0.00 H new ATOM 919 N PRO A 210 1.294 6.511 -5.585 1.00 0.00 N ATOM 920 CA PRO A 210 -0.144 6.688 -5.822 1.00 0.00 C ATOM 921 C PRO A 210 -0.497 6.693 -7.306 1.00 0.00 C ATOM 922 O PRO A 210 0.045 7.483 -8.080 1.00 0.00 O ATOM 923 CB PRO A 210 -0.435 8.051 -5.194 1.00 0.00 C ATOM 924 CG PRO A 210 0.573 8.179 -4.105 1.00 0.00 C ATOM 925 CD PRO A 210 1.813 7.486 -4.606 1.00 0.00 C ATOM 0 HA PRO A 210 -0.731 5.872 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.336 8.854 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.451 8.100 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.775 9.226 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.214 7.719 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.506 8.189 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.352 6.993 -3.797 1.00 0.00 H new ATOM 933 N TYR A 211 -1.405 5.808 -7.695 1.00 0.00 N ATOM 934 CA TYR A 211 -1.832 5.706 -9.085 1.00 0.00 C ATOM 935 C TYR A 211 -3.153 6.437 -9.304 1.00 0.00 C ATOM 936 O TYR A 211 -3.200 7.468 -9.974 1.00 0.00 O ATOM 937 CB TYR A 211 -1.975 4.236 -9.488 1.00 0.00 C ATOM 938 CG TYR A 211 -2.387 4.038 -10.929 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.840 4.815 -11.942 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.324 3.071 -11.275 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.215 4.635 -13.260 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.701 2.885 -12.590 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.145 3.668 -13.580 1.00 0.00 C ATOM 944 OH TYR A 211 -3.520 3.486 -14.890 1.00 0.00 O ATOM 0 H TYR A 211 -1.862 5.148 -7.065 1.00 0.00 H new ATOM 0 HA TYR A 211 -1.071 6.175 -9.709 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -1.026 3.728 -9.318 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.712 3.761 -8.840 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -1.110 5.572 -11.696 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.764 2.456 -10.504 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.782 5.249 -14.036 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.429 2.129 -12.843 1.00 0.00 H new ATOM 0 HH TYR A 211 -4.182 2.765 -14.944 1.00 0.00 H new ATOM 954 N ASN A 212 -4.224 5.896 -8.733 1.00 0.00 N ATOM 955 CA ASN A 212 -5.547 6.495 -8.865 1.00 0.00 C ATOM 956 C ASN A 212 -5.981 6.523 -10.326 1.00 0.00 C ATOM 957 O ASN A 212 -5.850 7.544 -11.002 1.00 0.00 O ATOM 958 CB ASN A 212 -5.546 7.909 -8.285 1.00 0.00 C ATOM 959 CG ASN A 212 -6.886 8.604 -8.434 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.300 8.947 -9.541 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.572 8.811 -7.316 1.00 0.00 N ATOM 0 H ASN A 212 -4.202 5.043 -8.174 1.00 0.00 H new ATOM 0 HA ASN A 212 -6.259 5.886 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.280 7.864 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.777 8.501 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -8.481 9.271 -7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -7.190 8.510 -6.420 1.00 0.00 H new ATOM 968 N SER A 213 -6.492 5.395 -10.808 1.00 0.00 N ATOM 969 CA SER A 213 -6.942 5.289 -12.189 1.00 0.00 C ATOM 970 C SER A 213 -8.012 6.332 -12.499 1.00 0.00 C ATOM 971 O SER A 213 -7.735 7.351 -13.131 1.00 0.00 O ATOM 972 CB SER A 213 -7.485 3.884 -12.463 1.00 0.00 C ATOM 973 OG SER A 213 -6.475 3.041 -12.990 1.00 0.00 O ATOM 0 H SER A 213 -6.604 4.541 -10.261 1.00 0.00 H new ATOM 0 HA SER A 213 -6.086 5.474 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 213 -7.876 3.455 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 213 -8.317 3.943 -13.165 1.00 0.00 H new ATOM 0 HG SER A 213 -5.594 3.406 -12.765 1.00 0.00 H new ATOM 979 N ASN A 214 -9.232 6.068 -12.049 1.00 0.00 N ATOM 980 CA ASN A 214 -10.346 6.982 -12.275 1.00 0.00 C ATOM 981 C ASN A 214 -10.709 7.725 -10.993 1.00 0.00 C ATOM 982 O ASN A 214 -10.361 8.919 -10.883 1.00 0.00 O ATOM 983 CB ASN A 214 -11.563 6.215 -12.797 1.00 0.00 C ATOM 984 CG ASN A 214 -12.391 7.036 -13.766 1.00 0.00 C ATOM 985 OD1 ASN A 214 -12.122 7.056 -14.967 1.00 0.00 O ATOM 986 ND2 ASN A 214 -13.404 7.719 -13.247 1.00 0.00 N ATOM 987 OXT ASN A 214 -11.341 7.105 -10.110 1.00 0.00 O ATOM 0 H ASN A 214 -9.476 5.228 -11.525 1.00 0.00 H new ATOM 0 HA ASN A 214 -10.038 7.714 -13.022 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -11.230 5.302 -13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -12.187 5.913 -11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -13.996 8.290 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -13.590 7.673 -12.245 1.00 0.00 H new TER 994 ASN A 214