USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 133 GLN : amide:sc= -0.452 K(o=-7.1,f=-3.8) USER MOD Set 1.2: A 137 ASN : amide:sc= -6.64! C(o=-7.1!,f=-3.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.48 K(o=-0.48,f=-1.7!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 90:sc= 0.455 USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.233) USER MOD Single : A 127 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.92) USER MOD Single : A 128 MET CE :methyl -144:sc= -0.0187 (180deg=-0.789) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 144 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -138:sc= -1.23 (180deg=-3.86!) USER MOD Single : A 160 TYR OH : rot 180:sc= -0.856 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.241 10.293 -6.255 1.00 0.00 N ATOM 67 CA PHE A 105 7.656 8.963 -6.131 1.00 0.00 C ATOM 68 C PHE A 105 7.088 8.747 -4.731 1.00 0.00 C ATOM 69 O PHE A 105 6.055 8.099 -4.560 1.00 0.00 O ATOM 70 CB PHE A 105 8.703 7.891 -6.439 1.00 0.00 C ATOM 71 CG PHE A 105 8.223 6.491 -6.181 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.243 5.923 -6.980 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.751 5.744 -5.141 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.799 4.636 -6.744 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.310 4.456 -4.901 1.00 0.00 C ATOM 76 CZ PHE A 105 7.334 3.901 -5.704 1.00 0.00 C ATOM 0 HA PHE A 105 6.842 8.883 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.003 7.977 -7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.591 8.079 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.822 6.492 -7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.516 6.173 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.034 4.205 -7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.729 3.884 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.989 2.894 -5.520 1.00 0.00 H new ATOM 86 N LEU A 106 7.771 9.295 -3.732 1.00 0.00 N ATOM 87 CA LEU A 106 7.336 9.164 -2.345 1.00 0.00 C ATOM 88 C LEU A 106 6.070 9.976 -2.092 1.00 0.00 C ATOM 89 O LEU A 106 5.106 9.479 -1.508 1.00 0.00 O ATOM 90 CB LEU A 106 8.446 9.619 -1.396 1.00 0.00 C ATOM 91 CG LEU A 106 9.633 8.667 -1.246 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.779 9.354 -0.518 1.00 0.00 C ATOM 93 CD2 LEU A 106 9.213 7.403 -0.510 1.00 0.00 C ATOM 0 H LEU A 106 8.628 9.834 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 106 7.115 8.113 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.820 10.582 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.010 9.782 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 106 9.978 8.386 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.615 8.662 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.097 10.229 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.447 9.664 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.070 6.737 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.842 7.665 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.425 6.900 -1.071 1.00 0.00 H new ATOM 105 N THR A 107 6.077 11.228 -2.538 1.00 0.00 N ATOM 106 CA THR A 107 4.930 12.109 -2.362 1.00 0.00 C ATOM 107 C THR A 107 3.722 11.602 -3.141 1.00 0.00 C ATOM 108 O THR A 107 2.610 11.550 -2.615 1.00 0.00 O ATOM 109 CB THR A 107 5.250 13.547 -2.813 1.00 0.00 C ATOM 110 OG1 THR A 107 6.382 14.046 -2.091 1.00 0.00 O ATOM 111 CG2 THR A 107 4.056 14.463 -2.590 1.00 0.00 C ATOM 0 H THR A 107 6.865 11.655 -3.024 1.00 0.00 H new ATOM 0 HA THR A 107 4.697 12.114 -1.297 1.00 0.00 H new ATOM 0 HB THR A 107 5.478 13.528 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.580 14.960 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.306 15.473 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.204 14.097 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.801 14.477 -1.530 1.00 0.00 H new ATOM 119 N GLU A 108 3.948 11.227 -4.396 1.00 0.00 N ATOM 120 CA GLU A 108 2.876 10.724 -5.247 1.00 0.00 C ATOM 121 C GLU A 108 2.376 9.371 -4.749 1.00 0.00 C ATOM 122 O GLU A 108 1.193 9.052 -4.867 1.00 0.00 O ATOM 123 CB GLU A 108 3.359 10.600 -6.694 1.00 0.00 C ATOM 124 CG GLU A 108 3.568 11.938 -7.382 1.00 0.00 C ATOM 125 CD GLU A 108 4.423 11.825 -8.629 1.00 0.00 C ATOM 126 OE1 GLU A 108 4.181 10.902 -9.434 1.00 0.00 O ATOM 127 OE2 GLU A 108 5.335 12.661 -8.800 1.00 0.00 O ATOM 0 H GLU A 108 4.863 11.262 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 108 2.051 11.435 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.296 10.043 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.633 10.018 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.599 12.361 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.039 12.631 -6.685 1.00 0.00 H new ATOM 134 N PHE A 109 3.286 8.579 -4.191 1.00 0.00 N ATOM 135 CA PHE A 109 2.939 7.259 -3.676 1.00 0.00 C ATOM 136 C PHE A 109 2.082 7.375 -2.419 1.00 0.00 C ATOM 137 O PHE A 109 1.065 6.693 -2.283 1.00 0.00 O ATOM 138 CB PHE A 109 4.206 6.458 -3.372 1.00 0.00 C ATOM 139 CG PHE A 109 3.937 5.150 -2.684 1.00 0.00 C ATOM 140 CD1 PHE A 109 3.098 4.209 -3.259 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.524 4.862 -1.462 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.848 3.005 -2.627 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.278 3.659 -0.826 1.00 0.00 C ATOM 144 CZ PHE A 109 3.440 2.730 -1.410 1.00 0.00 C ATOM 0 H PHE A 109 4.269 8.828 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 109 2.363 6.737 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.738 6.267 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.865 7.060 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.634 4.418 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.181 5.585 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.191 2.280 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.741 3.446 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.248 1.789 -0.916 1.00 0.00 H new ATOM 154 N ILE A 110 2.501 8.241 -1.502 1.00 0.00 N ATOM 155 CA ILE A 110 1.772 8.446 -0.257 1.00 0.00 C ATOM 156 C ILE A 110 0.406 9.073 -0.515 1.00 0.00 C ATOM 157 O ILE A 110 -0.592 8.678 0.084 1.00 0.00 O ATOM 158 CB ILE A 110 2.561 9.343 0.715 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.907 8.702 1.059 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.751 9.596 1.978 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.922 9.682 1.603 1.00 0.00 C ATOM 0 H ILE A 110 3.341 8.811 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 110 1.637 7.463 0.195 1.00 0.00 H new ATOM 0 HB ILE A 110 2.750 10.300 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.747 7.912 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.314 8.229 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.322 10.231 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.816 10.091 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.534 8.647 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.852 9.158 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.111 10.459 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.536 10.137 2.515 1.00 0.00 H new ATOM 173 N ASN A 111 0.371 10.051 -1.414 1.00 0.00 N ATOM 174 CA ASN A 111 -0.873 10.733 -1.753 1.00 0.00 C ATOM 175 C ASN A 111 -1.931 9.735 -2.215 1.00 0.00 C ATOM 176 O ASN A 111 -3.090 9.811 -1.809 1.00 0.00 O ATOM 177 CB ASN A 111 -0.626 11.775 -2.847 1.00 0.00 C ATOM 178 CG ASN A 111 -0.030 13.057 -2.299 1.00 0.00 C ATOM 179 OD1 ASN A 111 -0.227 13.397 -1.132 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.703 13.776 -3.142 1.00 0.00 N ATOM 0 H ASN A 111 1.189 10.389 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.239 11.236 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.045 11.358 -3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.567 12.000 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.129 14.649 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.839 13.455 -4.101 1.00 0.00 H new ATOM 187 N TYR A 112 -1.523 8.801 -3.067 1.00 0.00 N ATOM 188 CA TYR A 112 -2.435 7.789 -3.586 1.00 0.00 C ATOM 189 C TYR A 112 -2.896 6.850 -2.475 1.00 0.00 C ATOM 190 O TYR A 112 -4.050 6.422 -2.448 1.00 0.00 O ATOM 191 CB TYR A 112 -1.761 6.987 -4.700 1.00 0.00 C ATOM 192 CG TYR A 112 -2.703 6.060 -5.434 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.826 6.552 -6.087 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.468 4.691 -5.476 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.690 5.708 -6.758 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.326 3.839 -6.146 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.435 4.353 -6.785 1.00 0.00 C ATOM 198 OH TYR A 112 -5.292 3.509 -7.453 1.00 0.00 O ATOM 0 H TYR A 112 -0.567 8.724 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.309 8.298 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.315 7.678 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.947 6.401 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.027 7.613 -6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.600 4.286 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.560 6.107 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.129 2.777 -6.169 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.969 2.587 -7.377 1.00 0.00 H new ATOM 208 N ILE A 113 -1.985 6.534 -1.561 1.00 0.00 N ATOM 209 CA ILE A 113 -2.297 5.647 -0.448 1.00 0.00 C ATOM 210 C ILE A 113 -3.300 6.290 0.503 1.00 0.00 C ATOM 211 O ILE A 113 -4.180 5.619 1.043 1.00 0.00 O ATOM 212 CB ILE A 113 -1.030 5.267 0.341 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.056 4.498 -0.554 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.396 4.441 1.566 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.368 4.503 -0.043 1.00 0.00 C ATOM 0 H ILE A 113 -1.025 6.879 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.733 4.745 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.541 6.182 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.397 3.467 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.076 4.930 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.490 4.180 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.056 5.021 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.905 3.530 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.002 3.939 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.728 5.530 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.402 4.043 0.945 1.00 0.00 H new ATOM 227 N LYS A 114 -3.164 7.597 0.703 1.00 0.00 N ATOM 228 CA LYS A 114 -4.059 8.334 1.586 1.00 0.00 C ATOM 229 C LYS A 114 -5.488 8.316 1.051 1.00 0.00 C ATOM 230 O LYS A 114 -6.430 7.997 1.776 1.00 0.00 O ATOM 231 CB LYS A 114 -3.580 9.779 1.742 1.00 0.00 C ATOM 232 CG LYS A 114 -2.458 9.942 2.753 1.00 0.00 C ATOM 233 CD LYS A 114 -1.675 11.222 2.515 1.00 0.00 C ATOM 234 CE LYS A 114 -0.786 11.561 3.702 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.204 12.926 3.588 1.00 0.00 N ATOM 0 H LYS A 114 -2.441 8.168 0.264 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.048 7.847 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.241 10.147 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.422 10.402 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.873 9.951 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.785 9.086 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.063 11.114 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.367 12.044 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.366 11.489 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.018 10.829 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.395 13.118 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.371 12.987 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.970 13.628 3.545 1.00 0.00 H new ATOM 249 N LYS A 115 -5.641 8.659 -0.224 1.00 0.00 N ATOM 250 CA LYS A 115 -6.954 8.680 -0.858 1.00 0.00 C ATOM 251 C LYS A 115 -7.474 7.263 -1.078 1.00 0.00 C ATOM 252 O LYS A 115 -8.651 6.982 -0.850 1.00 0.00 O ATOM 253 CB LYS A 115 -6.885 9.423 -2.194 1.00 0.00 C ATOM 254 CG LYS A 115 -5.880 8.832 -3.168 1.00 0.00 C ATOM 255 CD LYS A 115 -6.033 9.428 -4.557 1.00 0.00 C ATOM 256 CE LYS A 115 -5.215 10.701 -4.711 1.00 0.00 C ATOM 257 NZ LYS A 115 -5.533 11.415 -5.979 1.00 0.00 N ATOM 0 H LYS A 115 -4.872 8.926 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.643 9.202 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.873 9.416 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.628 10.466 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.869 9.012 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.013 7.751 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.717 8.699 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.084 9.645 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.407 11.361 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.153 10.455 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.955 12.277 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.326 10.795 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.541 11.672 -5.989 1.00 0.00 H new ATOM 271 N SER A 116 -6.590 6.375 -1.522 1.00 0.00 N ATOM 272 CA SER A 116 -6.962 4.988 -1.775 1.00 0.00 C ATOM 273 C SER A 116 -7.240 4.253 -0.467 1.00 0.00 C ATOM 274 O SER A 116 -6.435 3.438 -0.015 1.00 0.00 O ATOM 275 CB SER A 116 -5.852 4.274 -2.548 1.00 0.00 C ATOM 276 OG SER A 116 -5.759 4.762 -3.875 1.00 0.00 O ATOM 0 H SER A 116 -5.612 6.591 -1.714 1.00 0.00 H new ATOM 0 HA SER A 116 -7.873 4.985 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.900 4.416 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.048 3.202 -2.564 1.00 0.00 H new ATOM 0 HG SER A 116 -5.139 5.521 -3.902 1.00 0.00 H new ATOM 282 N LYS A 117 -8.386 4.547 0.137 1.00 0.00 N ATOM 283 CA LYS A 117 -8.774 3.916 1.393 1.00 0.00 C ATOM 284 C LYS A 117 -8.296 2.468 1.444 1.00 0.00 C ATOM 285 O LYS A 117 -7.969 1.949 2.512 1.00 0.00 O ATOM 286 CB LYS A 117 -10.294 3.968 1.565 1.00 0.00 C ATOM 287 CG LYS A 117 -11.050 3.115 0.561 1.00 0.00 C ATOM 288 CD LYS A 117 -11.306 3.871 -0.732 1.00 0.00 C ATOM 289 CE LYS A 117 -11.991 2.991 -1.766 1.00 0.00 C ATOM 290 NZ LYS A 117 -11.044 2.025 -2.388 1.00 0.00 N ATOM 0 H LYS A 117 -9.063 5.219 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.303 4.465 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.549 3.639 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.626 5.002 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.480 2.211 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.000 2.799 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.926 4.744 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.361 4.238 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.808 2.446 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.432 3.618 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.318 1.859 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.080 2.414 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.072 1.126 -1.865 1.00 0.00 H new ATOM 304 N VAL A 118 -8.255 1.821 0.283 1.00 0.00 N ATOM 305 CA VAL A 118 -7.814 0.435 0.196 1.00 0.00 C ATOM 306 C VAL A 118 -6.725 0.270 -0.858 1.00 0.00 C ATOM 307 O VAL A 118 -6.944 0.537 -2.040 1.00 0.00 O ATOM 308 CB VAL A 118 -8.985 -0.507 -0.140 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.470 -1.891 -0.505 1.00 0.00 C ATOM 310 CG2 VAL A 118 -9.959 -0.582 1.026 1.00 0.00 C ATOM 0 H VAL A 118 -8.522 2.235 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.413 0.169 1.174 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.516 -0.105 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.312 -2.542 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.815 -1.818 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.913 -2.305 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.780 -1.252 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.442 -0.960 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.353 0.412 1.235 1.00 0.00 H new ATOM 320 N VAL A 119 -5.549 -0.173 -0.423 1.00 0.00 N ATOM 321 CA VAL A 119 -4.426 -0.375 -1.330 1.00 0.00 C ATOM 322 C VAL A 119 -3.926 -1.815 -1.273 1.00 0.00 C ATOM 323 O VAL A 119 -3.577 -2.321 -0.205 1.00 0.00 O ATOM 324 CB VAL A 119 -3.259 0.575 -0.999 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.095 0.343 -1.949 1.00 0.00 C ATOM 326 CG2 VAL A 119 -3.721 2.023 -1.052 1.00 0.00 C ATOM 0 H VAL A 119 -5.350 -0.399 0.552 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.788 -0.158 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.917 0.363 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.281 1.023 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.749 -0.687 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.419 0.526 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.885 2.681 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.090 2.251 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.520 2.177 -0.326 1.00 0.00 H new ATOM 336 N LEU A 120 -3.893 -2.470 -2.428 1.00 0.00 N ATOM 337 CA LEU A 120 -3.435 -3.852 -2.511 1.00 0.00 C ATOM 338 C LEU A 120 -1.978 -3.917 -2.957 1.00 0.00 C ATOM 339 O LEU A 120 -1.557 -3.179 -3.848 1.00 0.00 O ATOM 340 CB LEU A 120 -4.313 -4.644 -3.482 1.00 0.00 C ATOM 341 CG LEU A 120 -5.538 -5.327 -2.873 1.00 0.00 C ATOM 342 CD1 LEU A 120 -6.518 -4.293 -2.342 1.00 0.00 C ATOM 343 CD2 LEU A 120 -6.213 -6.225 -3.901 1.00 0.00 C ATOM 0 H LEU A 120 -4.178 -2.066 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.512 -4.294 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.651 -3.969 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.697 -5.406 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.208 -5.946 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.383 -4.798 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.031 -3.691 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.843 -3.647 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.083 -6.703 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.529 -5.626 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.510 -6.989 -4.234 1.00 0.00 H new ATOM 355 N LEU A 121 -1.213 -4.806 -2.333 1.00 0.00 N ATOM 356 CA LEU A 121 0.198 -4.970 -2.667 1.00 0.00 C ATOM 357 C LEU A 121 0.362 -5.554 -4.066 1.00 0.00 C ATOM 358 O LEU A 121 1.221 -5.120 -4.833 1.00 0.00 O ATOM 359 CB LEU A 121 0.883 -5.874 -1.641 1.00 0.00 C ATOM 360 CG LEU A 121 0.671 -5.505 -0.172 1.00 0.00 C ATOM 361 CD1 LEU A 121 0.959 -6.698 0.726 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.546 -4.321 0.212 1.00 0.00 C ATOM 0 H LEU A 121 -1.546 -5.424 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 121 0.668 -3.987 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.530 -6.894 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.954 -5.873 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.372 -5.219 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.803 -6.416 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.289 -7.518 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.992 -7.017 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.382 -4.072 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.594 -4.579 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.290 -3.463 -0.409 1.00 0.00 H new ATOM 374 N GLU A 122 -0.470 -6.539 -4.392 1.00 0.00 N ATOM 375 CA GLU A 122 -0.417 -7.180 -5.700 1.00 0.00 C ATOM 376 C GLU A 122 -0.785 -6.194 -6.805 1.00 0.00 C ATOM 377 O GLU A 122 -0.146 -6.156 -7.856 1.00 0.00 O ATOM 378 CB GLU A 122 -1.360 -8.385 -5.741 1.00 0.00 C ATOM 379 CG GLU A 122 -0.831 -9.597 -4.993 1.00 0.00 C ATOM 380 CD GLU A 122 -1.333 -10.905 -5.573 1.00 0.00 C ATOM 381 OE1 GLU A 122 -0.980 -11.217 -6.729 1.00 0.00 O ATOM 382 OE2 GLU A 122 -2.080 -11.617 -4.869 1.00 0.00 O ATOM 0 H GLU A 122 -1.187 -6.909 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 122 0.605 -7.521 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.322 -8.098 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.540 -8.660 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.259 -9.587 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.127 -9.531 -3.946 1.00 0.00 H new ATOM 389 N ASP A 123 -1.821 -5.400 -6.559 1.00 0.00 N ATOM 390 CA ASP A 123 -2.276 -4.413 -7.532 1.00 0.00 C ATOM 391 C ASP A 123 -1.325 -3.221 -7.583 1.00 0.00 C ATOM 392 O ASP A 123 -1.027 -2.696 -8.656 1.00 0.00 O ATOM 393 CB ASP A 123 -3.689 -3.940 -7.188 1.00 0.00 C ATOM 394 CG ASP A 123 -4.753 -4.925 -7.630 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.678 -6.102 -7.221 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.660 -4.519 -8.386 1.00 0.00 O ATOM 0 H ASP A 123 -2.362 -5.420 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.289 -4.886 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.765 -3.786 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.872 -2.976 -7.662 1.00 0.00 H new ATOM 401 N LEU A 124 -0.851 -2.799 -6.415 1.00 0.00 N ATOM 402 CA LEU A 124 0.066 -1.668 -6.326 1.00 0.00 C ATOM 403 C LEU A 124 1.301 -1.899 -7.190 1.00 0.00 C ATOM 404 O LEU A 124 1.781 -0.985 -7.861 1.00 0.00 O ATOM 405 CB LEU A 124 0.482 -1.438 -4.872 1.00 0.00 C ATOM 406 CG LEU A 124 1.351 -0.207 -4.609 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.563 1.067 -4.872 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.881 -0.223 -3.183 1.00 0.00 C ATOM 0 H LEU A 124 -1.087 -3.223 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.451 -0.782 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.420 -1.358 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.021 -2.320 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 124 2.201 -0.233 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.197 1.933 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.232 1.082 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.306 1.100 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.497 0.660 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.045 -0.221 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.482 -1.119 -3.028 1.00 0.00 H new ATOM 420 N ALA A 125 1.810 -3.126 -7.171 1.00 0.00 N ATOM 421 CA ALA A 125 2.986 -3.478 -7.957 1.00 0.00 C ATOM 422 C ALA A 125 2.738 -3.260 -9.445 1.00 0.00 C ATOM 423 O ALA A 125 3.568 -2.680 -10.145 1.00 0.00 O ATOM 424 CB ALA A 125 3.384 -4.923 -7.692 1.00 0.00 C ATOM 0 H ALA A 125 1.426 -3.893 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 125 3.804 -2.825 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.264 -5.173 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.612 -5.049 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.561 -5.583 -7.967 1.00 0.00 H new ATOM 430 N PHE A 126 1.590 -3.729 -9.924 1.00 0.00 N ATOM 431 CA PHE A 126 1.233 -3.586 -11.331 1.00 0.00 C ATOM 432 C PHE A 126 0.933 -2.130 -11.671 1.00 0.00 C ATOM 433 O PHE A 126 1.323 -1.636 -12.728 1.00 0.00 O ATOM 434 CB PHE A 126 0.022 -4.460 -11.663 1.00 0.00 C ATOM 435 CG PHE A 126 -0.281 -4.532 -13.132 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.011 -3.531 -13.753 1.00 0.00 C ATOM 437 CD2 PHE A 126 0.166 -5.600 -13.893 1.00 0.00 C ATOM 438 CE1 PHE A 126 -1.291 -3.596 -15.104 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.111 -5.670 -15.245 1.00 0.00 C ATOM 440 CZ PHE A 126 -0.840 -4.666 -15.852 1.00 0.00 C ATOM 0 H PHE A 126 0.891 -4.211 -9.359 1.00 0.00 H new ATOM 0 HA PHE A 126 2.083 -3.912 -11.931 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.197 -5.468 -11.287 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.851 -4.071 -11.139 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.365 -2.691 -13.174 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.738 -6.387 -13.424 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -1.863 -2.810 -15.575 1.00 0.00 H new ATOM 0 HE2 PHE A 126 0.242 -6.509 -15.826 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.057 -4.717 -16.909 1.00 0.00 H new ATOM 450 N GLN A 127 0.237 -1.448 -10.766 1.00 0.00 N ATOM 451 CA GLN A 127 -0.117 -0.049 -10.971 1.00 0.00 C ATOM 452 C GLN A 127 1.123 0.788 -11.269 1.00 0.00 C ATOM 453 O GLN A 127 1.132 1.591 -12.202 1.00 0.00 O ATOM 454 CB GLN A 127 -0.835 0.503 -9.738 1.00 0.00 C ATOM 455 CG GLN A 127 -2.272 0.026 -9.607 1.00 0.00 C ATOM 456 CD GLN A 127 -3.135 0.444 -10.781 1.00 0.00 C ATOM 457 OE1 GLN A 127 -3.898 1.407 -10.694 1.00 0.00 O ATOM 458 NE2 GLN A 127 -3.019 -0.279 -11.889 1.00 0.00 N ATOM 0 H GLN A 127 -0.092 -1.842 -9.885 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.787 0.008 -11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.282 0.212 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.825 1.592 -9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.284 -1.061 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.700 0.423 -8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.374 -1.069 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.575 -0.044 -12.712 1.00 0.00 H new ATOM 467 N MET A 128 2.167 0.595 -10.469 1.00 0.00 N ATOM 468 CA MET A 128 3.413 1.333 -10.649 1.00 0.00 C ATOM 469 C MET A 128 4.486 0.444 -11.268 1.00 0.00 C ATOM 470 O MET A 128 5.637 0.853 -11.412 1.00 0.00 O ATOM 471 CB MET A 128 3.902 1.884 -9.308 1.00 0.00 C ATOM 472 CG MET A 128 2.890 2.783 -8.615 1.00 0.00 C ATOM 473 SD MET A 128 3.535 3.514 -7.098 1.00 0.00 S ATOM 474 CE MET A 128 2.426 4.906 -6.896 1.00 0.00 C ATOM 0 H MET A 128 2.175 -0.065 -9.691 1.00 0.00 H new ATOM 0 HA MET A 128 3.220 2.165 -11.327 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.146 1.051 -8.649 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.823 2.444 -9.469 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.589 3.578 -9.297 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.995 2.205 -8.384 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.976 5.753 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.006 5.180 -7.864 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.620 4.633 -6.215 1.00 0.00 H new ATOM 484 N GLY A 129 4.101 -0.776 -11.632 1.00 0.00 N ATOM 485 CA GLY A 129 5.043 -1.703 -12.231 1.00 0.00 C ATOM 486 C GLY A 129 5.918 -2.388 -11.200 1.00 0.00 C ATOM 487 O GLY A 129 6.144 -3.597 -11.270 1.00 0.00 O ATOM 0 H GLY A 129 3.154 -1.138 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.496 -2.457 -12.797 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.674 -1.167 -12.940 1.00 0.00 H new ATOM 491 N LEU A 130 6.415 -1.614 -10.241 1.00 0.00 N ATOM 492 CA LEU A 130 7.272 -2.153 -9.191 1.00 0.00 C ATOM 493 C LEU A 130 6.808 -3.542 -8.767 1.00 0.00 C ATOM 494 O LEU A 130 5.638 -3.892 -8.928 1.00 0.00 O ATOM 495 CB LEU A 130 7.282 -1.215 -7.983 1.00 0.00 C ATOM 496 CG LEU A 130 7.981 0.130 -8.182 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.602 1.099 -7.073 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.490 -0.056 -8.237 1.00 0.00 C ATOM 0 H LEU A 130 6.239 -0.612 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 130 8.284 -2.235 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.250 -1.025 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.762 -1.731 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 130 7.652 0.551 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.109 2.050 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.524 1.257 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 130 7.901 0.685 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.971 0.912 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.836 -0.500 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.745 -0.714 -9.068 1.00 0.00 H new ATOM 510 N ARG A 131 7.730 -4.329 -8.224 1.00 0.00 N ATOM 511 CA ARG A 131 7.415 -5.680 -7.776 1.00 0.00 C ATOM 512 C ARG A 131 6.635 -5.650 -6.464 1.00 0.00 C ATOM 513 O ARG A 131 6.761 -4.712 -5.676 1.00 0.00 O ATOM 514 CB ARG A 131 8.698 -6.495 -7.601 1.00 0.00 C ATOM 515 CG ARG A 131 9.128 -7.231 -8.859 1.00 0.00 C ATOM 516 CD ARG A 131 9.876 -8.512 -8.526 1.00 0.00 C ATOM 517 NE ARG A 131 10.707 -8.966 -9.638 1.00 0.00 N ATOM 518 CZ ARG A 131 11.115 -10.221 -9.787 1.00 0.00 C ATOM 519 NH1 ARG A 131 10.771 -11.143 -8.899 1.00 0.00 N ATOM 520 NH2 ARG A 131 11.870 -10.556 -10.826 1.00 0.00 N ATOM 0 H ARG A 131 8.702 -4.054 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 131 6.794 -6.152 -8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.502 -5.829 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.552 -7.218 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 131 8.251 -7.467 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 131 9.764 -6.583 -9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 131 10.502 -8.348 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 131 9.161 -9.292 -8.266 1.00 0.00 H new ATOM 0 HE ARG A 131 10.990 -8.281 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 131 10.192 -10.889 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 131 11.086 -12.106 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 131 12.137 -9.849 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 131 12.183 -11.520 -10.939 1.00 0.00 H new ATOM 534 N THR A 132 5.830 -6.682 -6.237 1.00 0.00 N ATOM 535 CA THR A 132 5.029 -6.774 -5.023 1.00 0.00 C ATOM 536 C THR A 132 5.902 -6.661 -3.778 1.00 0.00 C ATOM 537 O THR A 132 5.570 -5.937 -2.840 1.00 0.00 O ATOM 538 CB THR A 132 4.243 -8.097 -4.966 1.00 0.00 C ATOM 539 OG1 THR A 132 3.500 -8.278 -6.177 1.00 0.00 O ATOM 540 CG2 THR A 132 3.295 -8.113 -3.777 1.00 0.00 C ATOM 0 H THR A 132 5.715 -7.467 -6.878 1.00 0.00 H new ATOM 0 HA THR A 132 4.324 -5.943 -5.047 1.00 0.00 H new ATOM 0 HB THR A 132 4.957 -8.913 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.004 -9.122 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.751 -9.057 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 132 3.866 -8.005 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.587 -7.289 -3.865 1.00 0.00 H new ATOM 548 N GLN A 133 7.020 -7.380 -3.778 1.00 0.00 N ATOM 549 CA GLN A 133 7.940 -7.360 -2.648 1.00 0.00 C ATOM 550 C GLN A 133 8.623 -6.001 -2.526 1.00 0.00 C ATOM 551 O GLN A 133 8.760 -5.461 -1.428 1.00 0.00 O ATOM 552 CB GLN A 133 8.992 -8.460 -2.800 1.00 0.00 C ATOM 553 CG GLN A 133 10.006 -8.493 -1.667 1.00 0.00 C ATOM 554 CD GLN A 133 9.460 -9.148 -0.414 1.00 0.00 C ATOM 555 OE1 GLN A 133 9.504 -10.370 -0.268 1.00 0.00 O ATOM 556 NE2 GLN A 133 8.940 -8.336 0.500 1.00 0.00 N ATOM 0 H GLN A 133 7.310 -7.983 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 133 7.364 -7.540 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.490 -9.426 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.519 -8.320 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.895 -9.031 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.318 -7.475 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 133 8.924 -7.329 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.557 -8.719 1.364 1.00 0.00 H new ATOM 565 N ASP A 134 9.048 -5.455 -3.659 1.00 0.00 N ATOM 566 CA ASP A 134 9.715 -4.158 -3.679 1.00 0.00 C ATOM 567 C ASP A 134 8.824 -3.078 -3.075 1.00 0.00 C ATOM 568 O ASP A 134 9.277 -2.263 -2.272 1.00 0.00 O ATOM 569 CB ASP A 134 10.097 -3.779 -5.111 1.00 0.00 C ATOM 570 CG ASP A 134 11.202 -4.655 -5.667 1.00 0.00 C ATOM 571 OD1 ASP A 134 11.071 -5.895 -5.593 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.198 -4.101 -6.177 1.00 0.00 O ATOM 0 H ASP A 134 8.943 -5.890 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 134 10.621 -4.234 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.218 -3.858 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.417 -2.737 -5.135 1.00 0.00 H new ATOM 577 N ALA A 135 7.554 -3.079 -3.466 1.00 0.00 N ATOM 578 CA ALA A 135 6.598 -2.100 -2.962 1.00 0.00 C ATOM 579 C ALA A 135 6.444 -2.212 -1.450 1.00 0.00 C ATOM 580 O ALA A 135 6.364 -1.204 -0.748 1.00 0.00 O ATOM 581 CB ALA A 135 5.251 -2.276 -3.647 1.00 0.00 C ATOM 0 H ALA A 135 7.163 -3.747 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 135 6.981 -1.105 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.547 -1.539 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.369 -2.137 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 135 4.871 -3.278 -3.450 1.00 0.00 H new ATOM 587 N ILE A 136 6.401 -3.445 -0.954 1.00 0.00 N ATOM 588 CA ILE A 136 6.256 -3.688 0.476 1.00 0.00 C ATOM 589 C ILE A 136 7.410 -3.070 1.258 1.00 0.00 C ATOM 590 O ILE A 136 7.208 -2.475 2.316 1.00 0.00 O ATOM 591 CB ILE A 136 6.188 -5.195 0.787 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.922 -5.805 0.184 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.232 -5.428 2.289 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.934 -7.318 0.156 1.00 0.00 C ATOM 0 H ILE A 136 6.465 -4.290 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 136 5.321 -3.220 0.783 1.00 0.00 H new ATOM 0 HB ILE A 136 7.053 -5.683 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 136 4.058 -5.467 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.797 -5.432 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.183 -6.498 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.160 -5.024 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.384 -4.930 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.005 -7.681 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.778 -7.664 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.027 -7.700 1.173 1.00 0.00 H new ATOM 606 N ASN A 137 8.621 -3.214 0.729 1.00 0.00 N ATOM 607 CA ASN A 137 9.808 -2.669 1.377 1.00 0.00 C ATOM 608 C ASN A 137 9.658 -1.169 1.615 1.00 0.00 C ATOM 609 O ASN A 137 10.031 -0.658 2.671 1.00 0.00 O ATOM 610 CB ASN A 137 11.050 -2.940 0.525 1.00 0.00 C ATOM 611 CG ASN A 137 11.032 -4.322 -0.099 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.688 -4.566 -1.112 1.00 0.00 O ATOM 613 ND2 ASN A 137 10.278 -5.234 0.503 1.00 0.00 N ATOM 0 H ASN A 137 8.806 -3.704 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 137 9.923 -3.162 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.118 -2.189 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.942 -2.835 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.226 -6.181 0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.751 -4.988 1.341 1.00 0.00 H new ATOM 620 N ARG A 138 9.109 -0.471 0.626 1.00 0.00 N ATOM 621 CA ARG A 138 8.910 0.970 0.727 1.00 0.00 C ATOM 622 C ARG A 138 7.873 1.302 1.796 1.00 0.00 C ATOM 623 O ARG A 138 8.097 2.164 2.646 1.00 0.00 O ATOM 624 CB ARG A 138 8.469 1.541 -0.621 1.00 0.00 C ATOM 625 CG ARG A 138 9.615 1.752 -1.597 1.00 0.00 C ATOM 626 CD ARG A 138 10.313 3.082 -1.357 1.00 0.00 C ATOM 627 NE ARG A 138 11.151 3.052 -0.161 1.00 0.00 N ATOM 628 CZ ARG A 138 12.360 2.504 -0.124 1.00 0.00 C ATOM 629 NH1 ARG A 138 12.871 1.944 -1.211 1.00 0.00 N ATOM 630 NH2 ARG A 138 13.061 2.516 1.003 1.00 0.00 N ATOM 0 H ARG A 138 8.794 -0.880 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 138 9.859 1.423 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.740 0.867 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.964 2.493 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.334 0.939 -1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.236 1.718 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.926 3.331 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.567 3.870 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 138 10.787 3.475 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.335 1.933 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.800 1.524 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 138 12.671 2.946 1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.990 2.095 1.031 1.00 0.00 H new ATOM 644 N ILE A 139 6.739 0.612 1.747 1.00 0.00 N ATOM 645 CA ILE A 139 5.668 0.833 2.710 1.00 0.00 C ATOM 646 C ILE A 139 6.132 0.522 4.129 1.00 0.00 C ATOM 647 O ILE A 139 5.829 1.259 5.067 1.00 0.00 O ATOM 648 CB ILE A 139 4.432 -0.028 2.387 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.930 0.274 0.973 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.333 0.218 3.409 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.067 -0.824 0.392 1.00 0.00 C ATOM 0 H ILE A 139 6.538 -0.105 1.050 1.00 0.00 H new ATOM 0 HA ILE A 139 5.395 1.886 2.641 1.00 0.00 H new ATOM 0 HB ILE A 139 4.716 -1.079 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.360 1.203 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.787 0.437 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.467 -0.398 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.696 -0.042 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.047 1.270 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.747 -0.543 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.640 -1.750 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.191 -0.972 1.024 1.00 0.00 H new ATOM 663 N GLN A 140 6.872 -0.572 4.278 1.00 0.00 N ATOM 664 CA GLN A 140 7.379 -0.979 5.582 1.00 0.00 C ATOM 665 C GLN A 140 8.249 0.114 6.193 1.00 0.00 C ATOM 666 O GLN A 140 8.182 0.376 7.394 1.00 0.00 O ATOM 667 CB GLN A 140 8.181 -2.276 5.459 1.00 0.00 C ATOM 668 CG GLN A 140 7.315 -3.511 5.265 1.00 0.00 C ATOM 669 CD GLN A 140 6.482 -3.838 6.489 1.00 0.00 C ATOM 670 OE1 GLN A 140 7.013 -4.015 7.586 1.00 0.00 O ATOM 671 NE2 GLN A 140 5.169 -3.919 6.308 1.00 0.00 N ATOM 0 H GLN A 140 7.133 -1.192 3.511 1.00 0.00 H new ATOM 0 HA GLN A 140 6.526 -1.149 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.869 -2.189 4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.787 -2.405 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.655 -3.357 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 140 7.952 -4.363 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.771 -3.765 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.558 -4.135 7.096 1.00 0.00 H new ATOM 680 N ASP A 141 9.066 0.748 5.359 1.00 0.00 N ATOM 681 CA ASP A 141 9.949 1.814 5.817 1.00 0.00 C ATOM 682 C ASP A 141 9.145 3.028 6.273 1.00 0.00 C ATOM 683 O ASP A 141 9.444 3.633 7.303 1.00 0.00 O ATOM 684 CB ASP A 141 10.918 2.217 4.704 1.00 0.00 C ATOM 685 CG ASP A 141 12.201 1.411 4.734 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.166 0.225 4.346 1.00 0.00 O ATOM 687 OD2 ASP A 141 13.242 1.967 5.146 1.00 0.00 O ATOM 0 H ASP A 141 9.135 0.542 4.362 1.00 0.00 H new ATOM 0 HA ASP A 141 10.520 1.439 6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.432 2.085 3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.156 3.277 4.799 1.00 0.00 H new ATOM 692 N LEU A 142 8.125 3.380 5.498 1.00 0.00 N ATOM 693 CA LEU A 142 7.278 4.523 5.821 1.00 0.00 C ATOM 694 C LEU A 142 6.486 4.270 7.100 1.00 0.00 C ATOM 695 O LEU A 142 6.321 5.165 7.929 1.00 0.00 O ATOM 696 CB LEU A 142 6.322 4.817 4.664 1.00 0.00 C ATOM 697 CG LEU A 142 6.894 5.647 3.514 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.929 5.668 2.339 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.200 7.063 3.980 1.00 0.00 C ATOM 0 H LEU A 142 7.864 2.891 4.642 1.00 0.00 H new ATOM 0 HA LEU A 142 7.922 5.388 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.970 3.868 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.451 5.337 5.062 1.00 0.00 H new ATOM 0 HG LEU A 142 7.824 5.184 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.353 6.263 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.759 4.650 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.982 6.106 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.606 7.640 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.284 7.535 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 142 7.929 7.030 4.790 1.00 0.00 H new ATOM 711 N LEU A 143 5.998 3.044 7.253 1.00 0.00 N ATOM 712 CA LEU A 143 5.224 2.671 8.433 1.00 0.00 C ATOM 713 C LEU A 143 6.109 2.630 9.674 1.00 0.00 C ATOM 714 O LEU A 143 5.680 2.999 10.768 1.00 0.00 O ATOM 715 CB LEU A 143 4.560 1.309 8.221 1.00 0.00 C ATOM 716 CG LEU A 143 3.368 1.286 7.264 1.00 0.00 C ATOM 717 CD1 LEU A 143 3.039 -0.142 6.856 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.158 1.952 7.902 1.00 0.00 C ATOM 0 H LEU A 143 6.124 2.292 6.576 1.00 0.00 H new ATOM 0 HA LEU A 143 4.452 3.426 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.313 0.614 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.230 0.933 9.190 1.00 0.00 H new ATOM 0 HG LEU A 143 3.635 1.846 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 143 2.188 -0.139 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.901 -0.586 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.792 -0.726 7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.319 1.926 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.889 1.420 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.398 2.988 8.143 1.00 0.00 H new ATOM 730 N THR A 144 7.348 2.181 9.497 1.00 0.00 N ATOM 731 CA THR A 144 8.294 2.093 10.602 1.00 0.00 C ATOM 732 C THR A 144 8.738 3.479 11.057 1.00 0.00 C ATOM 733 O THR A 144 8.910 3.725 12.251 1.00 0.00 O ATOM 734 CB THR A 144 9.536 1.270 10.214 1.00 0.00 C ATOM 735 OG1 THR A 144 9.144 -0.044 9.802 1.00 0.00 O ATOM 736 CG2 THR A 144 10.507 1.172 11.381 1.00 0.00 C ATOM 0 H THR A 144 7.719 1.873 8.598 1.00 0.00 H new ATOM 0 HA THR A 144 7.778 1.593 11.421 1.00 0.00 H new ATOM 0 HB THR A 144 10.036 1.776 9.388 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.777 -0.006 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.376 0.586 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.827 2.172 11.673 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.015 0.687 12.224 1.00 0.00 H new ATOM 744 N GLU A 145 8.923 4.381 10.098 1.00 0.00 N ATOM 745 CA GLU A 145 9.348 5.742 10.402 1.00 0.00 C ATOM 746 C GLU A 145 8.214 6.535 11.045 1.00 0.00 C ATOM 747 O GLU A 145 8.446 7.550 11.701 1.00 0.00 O ATOM 748 CB GLU A 145 9.821 6.448 9.129 1.00 0.00 C ATOM 749 CG GLU A 145 10.989 5.756 8.447 1.00 0.00 C ATOM 750 CD GLU A 145 12.332 6.249 8.948 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.634 6.040 10.142 1.00 0.00 O ATOM 752 OE2 GLU A 145 13.082 6.844 8.146 1.00 0.00 O ATOM 0 H GLU A 145 8.785 4.194 9.105 1.00 0.00 H new ATOM 0 HA GLU A 145 10.176 5.688 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.988 6.512 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.109 7.470 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.916 4.681 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.925 5.918 7.371 1.00 0.00 H new ATOM 759 N GLY A 146 6.986 6.064 10.852 1.00 0.00 N ATOM 760 CA GLY A 146 5.834 6.741 11.419 1.00 0.00 C ATOM 761 C GLY A 146 5.038 7.501 10.377 1.00 0.00 C ATOM 762 O GLY A 146 3.839 7.727 10.544 1.00 0.00 O ATOM 0 H GLY A 146 6.768 5.226 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.188 6.009 11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 146 6.167 7.432 12.193 1.00 0.00 H new ATOM 766 N THR A 147 5.705 7.898 9.298 1.00 0.00 N ATOM 767 CA THR A 147 5.053 8.639 8.226 1.00 0.00 C ATOM 768 C THR A 147 3.673 8.066 7.921 1.00 0.00 C ATOM 769 O THR A 147 2.780 8.780 7.463 1.00 0.00 O ATOM 770 CB THR A 147 5.898 8.626 6.938 1.00 0.00 C ATOM 771 OG1 THR A 147 7.195 9.174 7.198 1.00 0.00 O ATOM 772 CG2 THR A 147 5.216 9.421 5.835 1.00 0.00 C ATOM 0 H THR A 147 6.697 7.718 9.144 1.00 0.00 H new ATOM 0 HA THR A 147 4.948 9.667 8.572 1.00 0.00 H new ATOM 0 HB THR A 147 6.001 7.593 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.727 9.161 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.831 9.397 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.242 8.982 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.086 10.454 6.158 1.00 0.00 H new ATOM 780 N LEU A 148 3.505 6.774 8.178 1.00 0.00 N ATOM 781 CA LEU A 148 2.232 6.104 7.932 1.00 0.00 C ATOM 782 C LEU A 148 1.931 5.088 9.028 1.00 0.00 C ATOM 783 O LEU A 148 2.842 4.525 9.637 1.00 0.00 O ATOM 784 CB LEU A 148 2.254 5.410 6.569 1.00 0.00 C ATOM 785 CG LEU A 148 2.262 6.330 5.347 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.619 5.548 4.093 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.913 7.014 5.186 1.00 0.00 C ATOM 0 H LEU A 148 4.234 6.169 8.557 1.00 0.00 H new ATOM 0 HA LEU A 148 1.445 6.859 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.136 4.771 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.383 4.757 6.502 1.00 0.00 H new ATOM 0 HG LEU A 148 3.020 7.098 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.620 6.219 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.609 5.106 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.885 4.758 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.937 7.665 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.136 6.260 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.698 7.608 6.074 1.00 0.00 H new ATOM 799 N THR A 149 0.645 4.854 9.275 1.00 0.00 N ATOM 800 CA THR A 149 0.223 3.905 10.296 1.00 0.00 C ATOM 801 C THR A 149 -0.887 2.997 9.779 1.00 0.00 C ATOM 802 O THR A 149 -1.906 3.471 9.279 1.00 0.00 O ATOM 803 CB THR A 149 -0.269 4.626 11.565 1.00 0.00 C ATOM 804 OG1 THR A 149 -0.796 3.675 12.496 1.00 0.00 O ATOM 805 CG2 THR A 149 -1.336 5.655 11.223 1.00 0.00 C ATOM 0 H THR A 149 -0.122 5.310 8.781 1.00 0.00 H new ATOM 0 HA THR A 149 1.096 3.301 10.545 1.00 0.00 H new ATOM 0 HB THR A 149 0.579 5.142 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 149 -1.105 4.141 13.301 1.00 0.00 H new ATOM 0 HG21 THR A 149 -1.668 6.151 12.135 1.00 0.00 H new ATOM 0 HG22 THR A 149 -0.922 6.394 10.538 1.00 0.00 H new ATOM 0 HG23 THR A 149 -2.183 5.157 10.751 1.00 0.00 H new ATOM 813 N GLY A 150 -0.683 1.689 9.903 1.00 0.00 N ATOM 814 CA GLY A 150 -1.676 0.737 9.443 1.00 0.00 C ATOM 815 C GLY A 150 -1.386 -0.675 9.912 1.00 0.00 C ATOM 816 O GLY A 150 -0.348 -0.934 10.522 1.00 0.00 O ATOM 0 H GLY A 150 0.152 1.272 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.660 1.041 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.714 0.754 8.354 1.00 0.00 H new ATOM 820 N VAL A 151 -2.305 -1.592 9.628 1.00 0.00 N ATOM 821 CA VAL A 151 -2.143 -2.986 10.026 1.00 0.00 C ATOM 822 C VAL A 151 -2.204 -3.913 8.816 1.00 0.00 C ATOM 823 O VAL A 151 -2.841 -3.597 7.811 1.00 0.00 O ATOM 824 CB VAL A 151 -3.223 -3.410 11.038 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.080 -2.624 12.333 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.612 -3.226 10.445 1.00 0.00 C ATOM 0 H VAL A 151 -3.170 -1.395 9.124 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.163 -3.069 10.496 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.087 -4.467 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.852 -2.937 13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.097 -2.811 12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.188 -1.559 12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.362 -3.531 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.762 -2.178 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.709 -3.838 9.548 1.00 0.00 H new ATOM 836 N ILE A 152 -1.538 -5.058 8.922 1.00 0.00 N ATOM 837 CA ILE A 152 -1.518 -6.031 7.837 1.00 0.00 C ATOM 838 C ILE A 152 -2.045 -7.384 8.303 1.00 0.00 C ATOM 839 O ILE A 152 -1.483 -8.002 9.208 1.00 0.00 O ATOM 840 CB ILE A 152 -0.097 -6.214 7.271 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.414 -4.896 6.684 1.00 0.00 C ATOM 842 CG2 ILE A 152 -0.085 -7.310 6.216 1.00 0.00 C ATOM 843 CD1 ILE A 152 1.915 -4.859 6.501 1.00 0.00 C ATOM 0 H ILE A 152 -1.006 -5.334 9.747 1.00 0.00 H new ATOM 0 HA ILE A 152 -2.166 -5.642 7.052 1.00 0.00 H new ATOM 0 HB ILE A 152 0.567 -6.511 8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 152 -0.066 -4.726 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.115 -4.076 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 152 0.926 -7.428 5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.413 -8.249 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.759 -7.040 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.207 -3.896 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.403 -4.997 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.219 -5.657 5.824 1.00 0.00 H new ATOM 855 N ASP A 153 -3.125 -7.839 7.678 1.00 0.00 N ATOM 856 CA ASP A 153 -3.727 -9.121 8.027 1.00 0.00 C ATOM 857 C ASP A 153 -2.932 -10.276 7.425 1.00 0.00 C ATOM 858 O ASP A 153 -1.994 -10.063 6.656 1.00 0.00 O ATOM 859 CB ASP A 153 -5.176 -9.177 7.542 1.00 0.00 C ATOM 860 CG ASP A 153 -6.121 -8.418 8.454 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.738 -7.330 8.932 1.00 0.00 O ATOM 862 OD2 ASP A 153 -7.243 -8.913 8.689 1.00 0.00 O ATOM 0 H ASP A 153 -3.602 -7.340 6.927 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.711 -9.218 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.236 -8.763 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.495 -10.217 7.478 1.00 0.00 H new ATOM 867 N ASP A 154 -3.312 -11.498 7.781 1.00 0.00 N ATOM 868 CA ASP A 154 -2.635 -12.687 7.276 1.00 0.00 C ATOM 869 C ASP A 154 -3.061 -12.988 5.843 1.00 0.00 C ATOM 870 O ASP A 154 -2.707 -14.027 5.285 1.00 0.00 O ATOM 871 CB ASP A 154 -2.934 -13.889 8.174 1.00 0.00 C ATOM 872 CG ASP A 154 -2.285 -13.769 9.538 1.00 0.00 C ATOM 873 OD1 ASP A 154 -1.053 -13.570 9.594 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.008 -13.872 10.550 1.00 0.00 O ATOM 0 H ASP A 154 -4.085 -11.691 8.417 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.562 -12.495 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -4.013 -13.988 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.583 -14.799 7.687 1.00 0.00 H new ATOM 879 N ARG A 155 -3.824 -12.073 5.253 1.00 0.00 N ATOM 880 CA ARG A 155 -4.300 -12.242 3.886 1.00 0.00 C ATOM 881 C ARG A 155 -3.338 -11.597 2.892 1.00 0.00 C ATOM 882 O ARG A 155 -3.645 -11.473 1.707 1.00 0.00 O ATOM 883 CB ARG A 155 -5.695 -11.632 3.730 1.00 0.00 C ATOM 884 CG ARG A 155 -6.530 -12.293 2.646 1.00 0.00 C ATOM 885 CD ARG A 155 -7.695 -11.411 2.225 1.00 0.00 C ATOM 886 NE ARG A 155 -8.254 -11.820 0.939 1.00 0.00 N ATOM 887 CZ ARG A 155 -9.023 -12.891 0.780 1.00 0.00 C ATOM 888 NH1 ARG A 155 -9.322 -13.657 1.820 1.00 0.00 N ATOM 889 NH2 ARG A 155 -9.494 -13.198 -0.422 1.00 0.00 N ATOM 0 H ARG A 155 -4.125 -11.207 5.701 1.00 0.00 H new ATOM 0 HA ARG A 155 -4.352 -13.310 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -6.223 -11.707 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.595 -10.570 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.902 -12.506 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.908 -13.249 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.473 -11.450 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.361 -10.375 2.162 1.00 0.00 H new ATOM 0 HE ARG A 155 -8.042 -11.252 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -8.961 -13.424 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -9.913 -14.479 1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -9.265 -12.611 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -10.085 -14.021 -0.543 1.00 0.00 H new ATOM 903 N GLY A 156 -2.172 -11.189 3.383 1.00 0.00 N ATOM 904 CA GLY A 156 -1.184 -10.562 2.526 1.00 0.00 C ATOM 905 C GLY A 156 -1.705 -9.302 1.865 1.00 0.00 C ATOM 906 O GLY A 156 -1.430 -9.047 0.692 1.00 0.00 O ATOM 0 H GLY A 156 -1.894 -11.282 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.299 -10.320 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.873 -11.270 1.757 1.00 0.00 H new ATOM 910 N LYS A 157 -2.462 -8.511 2.618 1.00 0.00 N ATOM 911 CA LYS A 157 -3.025 -7.270 2.100 1.00 0.00 C ATOM 912 C LYS A 157 -2.671 -6.093 3.003 1.00 0.00 C ATOM 913 O LYS A 157 -2.413 -6.267 4.194 1.00 0.00 O ATOM 914 CB LYS A 157 -4.545 -7.389 1.972 1.00 0.00 C ATOM 915 CG LYS A 157 -5.172 -6.295 1.126 1.00 0.00 C ATOM 916 CD LYS A 157 -6.612 -6.623 0.768 1.00 0.00 C ATOM 917 CE LYS A 157 -7.544 -6.401 1.949 1.00 0.00 C ATOM 918 NZ LYS A 157 -7.387 -7.459 2.986 1.00 0.00 N ATOM 0 H LYS A 157 -2.700 -8.708 3.590 1.00 0.00 H new ATOM 0 HA LYS A 157 -2.597 -7.090 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.790 -8.358 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.988 -7.365 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.137 -5.350 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.591 -6.161 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.930 -6.002 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.679 -7.660 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.343 -5.426 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.576 -6.386 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.324 -7.743 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.908 -8.284 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.819 -7.090 3.775 1.00 0.00 H new ATOM 932 N PHE A 158 -2.662 -4.894 2.429 1.00 0.00 N ATOM 933 CA PHE A 158 -2.340 -3.688 3.183 1.00 0.00 C ATOM 934 C PHE A 158 -3.595 -2.863 3.452 1.00 0.00 C ATOM 935 O PHE A 158 -4.378 -2.591 2.542 1.00 0.00 O ATOM 936 CB PHE A 158 -1.315 -2.844 2.423 1.00 0.00 C ATOM 937 CG PHE A 158 -0.994 -1.541 3.097 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.443 -1.520 4.368 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.241 -0.336 2.458 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.147 -0.322 4.990 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.947 0.865 3.076 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.399 0.872 4.343 1.00 0.00 C ATOM 0 H PHE A 158 -2.874 -4.732 1.445 1.00 0.00 H new ATOM 0 HA PHE A 158 -1.914 -3.991 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.397 -3.420 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -1.694 -2.642 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.243 -2.450 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.668 -0.335 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.281 -0.319 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.146 1.797 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.168 1.809 4.827 1.00 0.00 H new ATOM 952 N ILE A 159 -3.780 -2.470 4.708 1.00 0.00 N ATOM 953 CA ILE A 159 -4.939 -1.677 5.097 1.00 0.00 C ATOM 954 C ILE A 159 -4.515 -0.402 5.818 1.00 0.00 C ATOM 955 O ILE A 159 -3.963 -0.452 6.917 1.00 0.00 O ATOM 956 CB ILE A 159 -5.889 -2.477 6.008 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.369 -3.743 5.294 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.072 -1.616 6.425 1.00 0.00 C ATOM 959 CD1 ILE A 159 -6.913 -4.796 6.234 1.00 0.00 C ATOM 0 H ILE A 159 -3.142 -2.688 5.473 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.465 -1.415 4.179 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.346 -2.773 6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.143 -3.474 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -5.541 -4.167 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -7.735 -2.195 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -6.712 -0.742 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -7.618 -1.294 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.235 -5.665 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.135 -5.093 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -7.762 -4.390 6.783 1.00 0.00 H new ATOM 971 N TYR A 160 -4.779 0.740 5.193 1.00 0.00 N ATOM 972 CA TYR A 160 -4.425 2.030 5.774 1.00 0.00 C ATOM 973 C TYR A 160 -5.616 2.645 6.503 1.00 0.00 C ATOM 974 O TYR A 160 -6.760 2.515 6.064 1.00 0.00 O ATOM 975 CB TYR A 160 -3.930 2.984 4.687 1.00 0.00 C ATOM 976 CG TYR A 160 -3.279 4.236 5.231 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.064 4.176 5.903 1.00 0.00 C ATOM 978 CD2 TYR A 160 -3.878 5.479 5.071 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.467 5.317 6.402 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.287 6.626 5.566 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.082 6.539 6.231 1.00 0.00 C ATOM 982 OH TYR A 160 -1.489 7.678 6.725 1.00 0.00 O ATOM 0 H TYR A 160 -5.237 0.799 4.284 1.00 0.00 H new ATOM 0 HA TYR A 160 -3.625 1.867 6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.216 2.459 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -4.771 3.267 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -1.578 3.221 6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -4.822 5.550 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.523 5.252 6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.766 7.585 5.433 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.050 8.455 6.519 1.00 0.00 H new ATOM 992 N ILE A 161 -5.339 3.314 7.616 1.00 0.00 N ATOM 993 CA ILE A 161 -6.387 3.951 8.405 1.00 0.00 C ATOM 994 C ILE A 161 -6.508 5.433 8.063 1.00 0.00 C ATOM 995 O ILE A 161 -5.578 6.210 8.279 1.00 0.00 O ATOM 996 CB ILE A 161 -6.123 3.804 9.915 1.00 0.00 C ATOM 997 CG1 ILE A 161 -6.037 2.325 10.298 1.00 0.00 C ATOM 998 CG2 ILE A 161 -7.214 4.501 10.713 1.00 0.00 C ATOM 999 CD1 ILE A 161 -5.340 2.083 11.618 1.00 0.00 C ATOM 0 H ILE A 161 -4.398 3.430 7.993 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.320 3.446 8.157 1.00 0.00 H new ATOM 0 HB ILE A 161 -5.169 4.277 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -7.044 1.911 10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.508 1.785 9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -7.014 4.388 11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -7.232 5.560 10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -8.180 4.054 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -5.315 1.013 11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -4.321 2.466 11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -5.881 2.595 12.414 1.00 0.00 H new