USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 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 114 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.124) USER MOD Set 1.2: A 160 TYR OH : rot 180:sc= -2.94! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.4!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 131:sc= -1.27! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.19) USER MOD Single : A 128 MET CE :methyl -113:sc= -0.788 (180deg=-3.45!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.047) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 140 GLN : amide:sc= -0.0717 K(o=-0.072,f=-2!) USER MOD Single : A 144 THR OG1 : rot 95:sc= 1.21 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.359 10.393 -5.917 1.00 0.00 N ATOM 67 CA PHE A 105 7.678 9.103 -5.914 1.00 0.00 C ATOM 68 C PHE A 105 7.157 8.766 -4.520 1.00 0.00 C ATOM 69 O PHE A 105 6.105 8.143 -4.372 1.00 0.00 O ATOM 70 CB PHE A 105 8.625 8.002 -6.396 1.00 0.00 C ATOM 71 CG PHE A 105 8.160 6.617 -6.047 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.035 6.077 -6.650 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.849 5.855 -5.117 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.605 4.803 -6.330 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.424 4.580 -4.793 1.00 0.00 C ATOM 76 CZ PHE A 105 7.301 4.053 -5.401 1.00 0.00 C ATOM 0 HA PHE A 105 6.829 9.167 -6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.737 8.077 -7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.611 8.166 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.488 6.658 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.728 6.262 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.726 4.394 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.969 3.997 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.968 3.057 -5.151 1.00 0.00 H new ATOM 86 N LEU A 106 7.900 9.183 -3.501 1.00 0.00 N ATOM 87 CA LEU A 106 7.514 8.926 -2.117 1.00 0.00 C ATOM 88 C LEU A 106 6.252 9.700 -1.752 1.00 0.00 C ATOM 89 O LEU A 106 5.313 9.144 -1.180 1.00 0.00 O ATOM 90 CB LEU A 106 8.653 9.309 -1.170 1.00 0.00 C ATOM 91 CG LEU A 106 9.854 8.363 -1.148 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.988 8.960 -0.329 1.00 0.00 C ATOM 93 CD2 LEU A 106 9.452 7.004 -0.594 1.00 0.00 C ATOM 0 H LEU A 106 8.773 9.700 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 106 7.307 7.861 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.005 10.304 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.251 9.377 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 106 10.204 8.227 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.834 8.273 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.294 9.909 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.650 9.126 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.319 6.344 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.076 7.122 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.672 6.572 -1.221 1.00 0.00 H new ATOM 105 N THR A 107 6.234 10.986 -2.086 1.00 0.00 N ATOM 106 CA THR A 107 5.087 11.836 -1.794 1.00 0.00 C ATOM 107 C THR A 107 3.865 11.405 -2.597 1.00 0.00 C ATOM 108 O THR A 107 2.765 11.292 -2.057 1.00 0.00 O ATOM 109 CB THR A 107 5.391 13.315 -2.098 1.00 0.00 C ATOM 110 OG1 THR A 107 6.585 13.719 -1.417 1.00 0.00 O ATOM 111 CG2 THR A 107 4.233 14.205 -1.672 1.00 0.00 C ATOM 0 H THR A 107 7.002 11.462 -2.560 1.00 0.00 H new ATOM 0 HA THR A 107 4.877 11.728 -0.730 1.00 0.00 H new ATOM 0 HB THR A 107 5.532 13.420 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.773 14.660 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.471 15.245 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.332 13.914 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.064 14.095 -0.601 1.00 0.00 H new ATOM 119 N GLU A 108 4.066 11.166 -3.890 1.00 0.00 N ATOM 120 CA GLU A 108 2.978 10.748 -4.766 1.00 0.00 C ATOM 121 C GLU A 108 2.493 9.348 -4.402 1.00 0.00 C ATOM 122 O GLU A 108 1.298 9.058 -4.460 1.00 0.00 O ATOM 123 CB GLU A 108 3.432 10.778 -6.228 1.00 0.00 C ATOM 124 CG GLU A 108 3.455 12.173 -6.829 1.00 0.00 C ATOM 125 CD GLU A 108 3.194 12.169 -8.323 1.00 0.00 C ATOM 126 OE1 GLU A 108 2.078 11.783 -8.730 1.00 0.00 O ATOM 127 OE2 GLU A 108 4.106 12.552 -9.085 1.00 0.00 O ATOM 0 H GLU A 108 4.971 11.255 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 108 2.151 11.446 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.430 10.344 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.768 10.148 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.705 12.790 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.424 12.632 -6.634 1.00 0.00 H new ATOM 134 N PHE A 109 3.430 8.483 -4.026 1.00 0.00 N ATOM 135 CA PHE A 109 3.099 7.112 -3.653 1.00 0.00 C ATOM 136 C PHE A 109 2.219 7.085 -2.407 1.00 0.00 C ATOM 137 O PHE A 109 1.230 6.353 -2.349 1.00 0.00 O ATOM 138 CB PHE A 109 4.376 6.306 -3.408 1.00 0.00 C ATOM 139 CG PHE A 109 4.136 5.004 -2.698 1.00 0.00 C ATOM 140 CD1 PHE A 109 3.217 4.092 -3.190 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.829 4.693 -1.540 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.993 2.893 -2.539 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.610 3.496 -0.884 1.00 0.00 C ATOM 144 CZ PHE A 109 3.692 2.594 -1.385 1.00 0.00 C ATOM 0 H PHE A 109 4.424 8.707 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 109 2.545 6.661 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.859 6.106 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.069 6.908 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.669 4.320 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.549 5.394 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.273 2.191 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.156 3.267 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.521 1.657 -0.876 1.00 0.00 H new ATOM 154 N ILE A 110 2.586 7.886 -1.413 1.00 0.00 N ATOM 155 CA ILE A 110 1.830 7.955 -0.169 1.00 0.00 C ATOM 156 C ILE A 110 0.465 8.598 -0.389 1.00 0.00 C ATOM 157 O ILE A 110 -0.536 8.161 0.177 1.00 0.00 O ATOM 158 CB ILE A 110 2.591 8.749 0.909 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.913 8.055 1.247 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.734 8.905 2.156 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.915 8.962 1.927 1.00 0.00 C ATOM 0 H ILE A 110 3.402 8.497 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 110 1.694 6.929 0.174 1.00 0.00 H new ATOM 0 HB ILE A 110 2.813 9.742 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.711 7.201 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.353 7.663 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.286 9.468 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.818 9.438 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.484 7.920 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.827 8.404 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.146 9.803 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.494 9.334 2.861 1.00 0.00 H new ATOM 173 N ASN A 111 0.434 9.637 -1.217 1.00 0.00 N ATOM 174 CA ASN A 111 -0.809 10.340 -1.514 1.00 0.00 C ATOM 175 C ASN A 111 -1.878 9.370 -2.008 1.00 0.00 C ATOM 176 O ASN A 111 -3.033 9.435 -1.586 1.00 0.00 O ATOM 177 CB ASN A 111 -0.567 11.427 -2.563 1.00 0.00 C ATOM 178 CG ASN A 111 -0.016 12.703 -1.957 1.00 0.00 C ATOM 179 OD1 ASN A 111 -0.325 13.045 -0.815 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.804 13.415 -2.721 1.00 0.00 N ATOM 0 H ASN A 111 1.255 10.011 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.163 10.805 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.130 11.055 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.503 11.647 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.205 14.283 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.033 13.093 -3.662 1.00 0.00 H new ATOM 187 N TYR A 112 -1.485 8.470 -2.903 1.00 0.00 N ATOM 188 CA TYR A 112 -2.409 7.488 -3.455 1.00 0.00 C ATOM 189 C TYR A 112 -2.943 6.567 -2.362 1.00 0.00 C ATOM 190 O TYR A 112 -4.119 6.200 -2.364 1.00 0.00 O ATOM 191 CB TYR A 112 -1.718 6.661 -4.541 1.00 0.00 C ATOM 192 CG TYR A 112 -2.536 5.481 -5.017 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.924 5.540 -5.048 1.00 0.00 C ATOM 194 CD2 TYR A 112 -1.920 4.308 -5.435 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.674 4.464 -5.480 1.00 0.00 C ATOM 196 CE2 TYR A 112 -2.663 3.228 -5.871 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.039 3.310 -5.891 1.00 0.00 C ATOM 198 OH TYR A 112 -4.784 2.237 -6.324 1.00 0.00 O ATOM 0 H TYR A 112 -0.532 8.401 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.249 8.025 -3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.497 7.306 -5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.763 6.300 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.424 6.442 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.842 4.239 -5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.752 4.525 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.168 2.324 -6.195 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.185 1.504 -6.579 1.00 0.00 H new ATOM 208 N ILE A 113 -2.071 6.198 -1.430 1.00 0.00 N ATOM 209 CA ILE A 113 -2.454 5.322 -0.330 1.00 0.00 C ATOM 210 C ILE A 113 -3.441 6.013 0.605 1.00 0.00 C ATOM 211 O ILE A 113 -4.364 5.386 1.126 1.00 0.00 O ATOM 212 CB ILE A 113 -1.227 4.868 0.482 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.224 4.153 -0.426 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.655 3.960 1.625 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.114 3.900 0.233 1.00 0.00 C ATOM 0 H ILE A 113 -1.094 6.492 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.929 4.447 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.743 5.748 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.649 3.201 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.070 4.750 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.777 3.647 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.336 4.500 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.159 3.081 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.774 3.390 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.560 4.850 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.973 3.277 1.116 1.00 0.00 H new ATOM 227 N LYS A 114 -3.241 7.310 0.813 1.00 0.00 N ATOM 228 CA LYS A 114 -4.114 8.090 1.682 1.00 0.00 C ATOM 229 C LYS A 114 -5.524 8.172 1.106 1.00 0.00 C ATOM 230 O LYS A 114 -6.506 7.899 1.797 1.00 0.00 O ATOM 231 CB LYS A 114 -3.549 9.498 1.878 1.00 0.00 C ATOM 232 CG LYS A 114 -2.596 9.613 3.055 1.00 0.00 C ATOM 233 CD LYS A 114 -1.659 10.800 2.900 1.00 0.00 C ATOM 234 CE LYS A 114 -1.106 11.252 4.242 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.133 10.271 4.800 1.00 0.00 N ATOM 0 H LYS A 114 -2.481 7.844 0.391 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.164 7.588 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.029 9.801 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.375 10.195 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.167 9.717 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.012 8.697 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.836 10.531 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.191 11.626 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.620 12.221 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.927 11.389 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.290 10.170 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.265 9.349 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.836 10.608 4.630 1.00 0.00 H new ATOM 249 N LYS A 115 -5.617 8.548 -0.165 1.00 0.00 N ATOM 250 CA LYS A 115 -6.907 8.664 -0.836 1.00 0.00 C ATOM 251 C LYS A 115 -7.502 7.286 -1.112 1.00 0.00 C ATOM 252 O LYS A 115 -8.709 7.084 -0.981 1.00 0.00 O ATOM 253 CB LYS A 115 -6.754 9.437 -2.148 1.00 0.00 C ATOM 254 CG LYS A 115 -5.807 8.778 -3.136 1.00 0.00 C ATOM 255 CD LYS A 115 -5.986 9.336 -4.538 1.00 0.00 C ATOM 256 CE LYS A 115 -4.686 9.295 -5.325 1.00 0.00 C ATOM 257 NZ LYS A 115 -4.783 10.060 -6.599 1.00 0.00 N ATOM 0 H LYS A 115 -4.815 8.778 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.584 9.208 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.734 9.544 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.394 10.442 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.778 8.930 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.982 7.702 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.749 8.762 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.344 10.364 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.880 9.705 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.426 8.259 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.876 10.007 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.535 9.654 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.006 11.054 -6.391 1.00 0.00 H new ATOM 271 N SER A 116 -6.647 6.343 -1.494 1.00 0.00 N ATOM 272 CA SER A 116 -7.089 4.985 -1.790 1.00 0.00 C ATOM 273 C SER A 116 -7.519 4.264 -0.516 1.00 0.00 C ATOM 274 O SER A 116 -6.688 3.897 0.315 1.00 0.00 O ATOM 275 CB SER A 116 -5.972 4.201 -2.481 1.00 0.00 C ATOM 276 OG SER A 116 -6.463 2.993 -3.033 1.00 0.00 O ATOM 0 H SER A 116 -5.644 6.494 -1.606 1.00 0.00 H new ATOM 0 HA SER A 116 -7.947 5.047 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.529 4.811 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.180 3.982 -1.764 1.00 0.00 H new ATOM 0 HG SER A 116 -6.159 2.910 -3.961 1.00 0.00 H new ATOM 282 N LYS A 117 -8.825 4.064 -0.369 1.00 0.00 N ATOM 283 CA LYS A 117 -9.368 3.386 0.802 1.00 0.00 C ATOM 284 C LYS A 117 -8.733 2.010 0.977 1.00 0.00 C ATOM 285 O LYS A 117 -8.290 1.654 2.069 1.00 0.00 O ATOM 286 CB LYS A 117 -10.887 3.246 0.676 1.00 0.00 C ATOM 287 CG LYS A 117 -11.612 3.263 2.011 1.00 0.00 C ATOM 288 CD LYS A 117 -11.654 4.662 2.605 1.00 0.00 C ATOM 289 CE LYS A 117 -12.748 5.505 1.968 1.00 0.00 C ATOM 290 NZ LYS A 117 -13.287 6.520 2.914 1.00 0.00 N ATOM 0 H LYS A 117 -9.527 4.362 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.136 3.988 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.268 4.057 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.116 2.314 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -12.628 2.892 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.114 2.587 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.823 4.597 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.689 5.148 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.352 6.006 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.557 4.856 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.030 7.074 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.687 6.041 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.521 7.155 3.216 1.00 0.00 H new ATOM 304 N VAL A 118 -8.692 1.240 -0.106 1.00 0.00 N ATOM 305 CA VAL A 118 -8.109 -0.096 -0.072 1.00 0.00 C ATOM 306 C VAL A 118 -7.073 -0.271 -1.177 1.00 0.00 C ATOM 307 O VAL A 118 -7.391 -0.176 -2.362 1.00 0.00 O ATOM 308 CB VAL A 118 -9.189 -1.184 -0.219 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.553 -2.564 -0.278 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.190 -1.098 0.923 1.00 0.00 C ATOM 0 H VAL A 118 -9.056 1.519 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.624 -0.205 0.898 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.723 -1.017 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.332 -3.319 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.879 -2.618 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.992 -2.745 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.946 -1.874 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.672 -1.239 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.670 -0.119 0.913 1.00 0.00 H new ATOM 320 N VAL A 119 -5.831 -0.529 -0.780 1.00 0.00 N ATOM 321 CA VAL A 119 -4.747 -0.720 -1.736 1.00 0.00 C ATOM 322 C VAL A 119 -4.171 -2.128 -1.640 1.00 0.00 C ATOM 323 O VAL A 119 -3.785 -2.581 -0.561 1.00 0.00 O ATOM 324 CB VAL A 119 -3.616 0.302 -1.514 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.633 0.272 -2.675 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.189 1.698 -1.325 1.00 0.00 C ATOM 0 H VAL A 119 -5.551 -0.611 0.197 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.171 -0.571 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.077 0.030 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.841 1.001 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.198 -0.724 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.155 0.518 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.376 2.407 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.754 1.983 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.849 1.706 -0.457 1.00 0.00 H new ATOM 336 N LEU A 120 -4.114 -2.817 -2.775 1.00 0.00 N ATOM 337 CA LEU A 120 -3.584 -4.175 -2.820 1.00 0.00 C ATOM 338 C LEU A 120 -2.133 -4.178 -3.289 1.00 0.00 C ATOM 339 O LEU A 120 -1.744 -3.383 -4.146 1.00 0.00 O ATOM 340 CB LEU A 120 -4.434 -5.045 -3.748 1.00 0.00 C ATOM 341 CG LEU A 120 -5.608 -5.775 -3.096 1.00 0.00 C ATOM 342 CD1 LEU A 120 -5.136 -6.575 -1.892 1.00 0.00 C ATOM 343 CD2 LEU A 120 -6.691 -4.786 -2.690 1.00 0.00 C ATOM 0 H LEU A 120 -4.428 -2.457 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.621 -4.587 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.823 -4.415 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.785 -5.786 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.030 -6.468 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.985 -7.088 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.396 -7.309 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.688 -5.902 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.519 -5.323 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.281 -4.069 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -7.050 -4.257 -3.573 1.00 0.00 H new ATOM 355 N LEU A 121 -1.336 -5.078 -2.724 1.00 0.00 N ATOM 356 CA LEU A 121 0.074 -5.187 -3.085 1.00 0.00 C ATOM 357 C LEU A 121 0.231 -5.686 -4.518 1.00 0.00 C ATOM 358 O LEU A 121 1.093 -5.214 -5.259 1.00 0.00 O ATOM 359 CB LEU A 121 0.796 -6.130 -2.122 1.00 0.00 C ATOM 360 CG LEU A 121 0.486 -5.939 -0.637 1.00 0.00 C ATOM 361 CD1 LEU A 121 0.884 -7.175 0.154 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.196 -4.707 -0.097 1.00 0.00 C ATOM 0 H LEU A 121 -1.642 -5.743 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 121 0.520 -4.195 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.548 -7.156 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.870 -6.012 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.588 -5.792 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.656 -7.021 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.329 -8.037 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.953 -7.354 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.963 -4.588 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.273 -4.824 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.862 -3.825 -0.644 1.00 0.00 H new ATOM 374 N GLU A 122 -0.609 -6.643 -4.901 1.00 0.00 N ATOM 375 CA GLU A 122 -0.563 -7.205 -6.246 1.00 0.00 C ATOM 376 C GLU A 122 -0.925 -6.151 -7.289 1.00 0.00 C ATOM 377 O GLU A 122 -0.285 -6.052 -8.336 1.00 0.00 O ATOM 378 CB GLU A 122 -1.515 -8.397 -6.358 1.00 0.00 C ATOM 379 CG GLU A 122 -0.995 -9.657 -5.686 1.00 0.00 C ATOM 380 CD GLU A 122 -1.722 -10.905 -6.144 1.00 0.00 C ATOM 381 OE1 GLU A 122 -1.925 -11.059 -7.367 1.00 0.00 O ATOM 382 OE2 GLU A 122 -2.088 -11.729 -5.280 1.00 0.00 O ATOM 0 H GLU A 122 -1.328 -7.045 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 122 0.455 -7.544 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.474 -8.128 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.699 -8.607 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.069 -9.763 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.098 -9.557 -4.606 1.00 0.00 H new ATOM 389 N ASP A 123 -1.956 -5.367 -6.995 1.00 0.00 N ATOM 390 CA ASP A 123 -2.405 -4.320 -7.905 1.00 0.00 C ATOM 391 C ASP A 123 -1.453 -3.128 -7.875 1.00 0.00 C ATOM 392 O ASP A 123 -1.188 -2.505 -8.904 1.00 0.00 O ATOM 393 CB ASP A 123 -3.819 -3.867 -7.540 1.00 0.00 C ATOM 394 CG ASP A 123 -4.572 -3.303 -8.728 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.260 -2.168 -9.145 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.474 -3.997 -9.243 1.00 0.00 O ATOM 0 H ASP A 123 -2.497 -5.437 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.413 -4.731 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.373 -4.711 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.764 -3.111 -6.756 1.00 0.00 H new ATOM 401 N LEU A 124 -0.941 -2.816 -6.689 1.00 0.00 N ATOM 402 CA LEU A 124 -0.019 -1.698 -6.524 1.00 0.00 C ATOM 403 C LEU A 124 1.252 -1.916 -7.339 1.00 0.00 C ATOM 404 O LEU A 124 1.738 -1.002 -8.004 1.00 0.00 O ATOM 405 CB LEU A 124 0.334 -1.517 -5.046 1.00 0.00 C ATOM 406 CG LEU A 124 1.213 -0.312 -4.709 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.433 0.982 -4.879 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.756 -0.428 -3.292 1.00 0.00 C ATOM 0 H LEU A 124 -1.149 -3.322 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.511 -0.796 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.593 -1.435 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.840 -2.419 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 124 2.056 -0.297 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.075 1.828 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.094 1.070 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.430 0.977 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.379 0.438 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.926 -0.469 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.352 -1.336 -3.204 1.00 0.00 H new ATOM 420 N ALA A 125 1.783 -3.133 -7.284 1.00 0.00 N ATOM 421 CA ALA A 125 2.994 -3.472 -8.021 1.00 0.00 C ATOM 422 C ALA A 125 2.788 -3.304 -9.523 1.00 0.00 C ATOM 423 O ALA A 125 3.629 -2.728 -10.214 1.00 0.00 O ATOM 424 CB ALA A 125 3.426 -4.895 -7.701 1.00 0.00 C ATOM 0 H ALA A 125 1.393 -3.901 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 125 3.782 -2.787 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.332 -5.134 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.623 -4.984 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.633 -5.588 -7.982 1.00 0.00 H new ATOM 430 N PHE A 126 1.666 -3.811 -10.022 1.00 0.00 N ATOM 431 CA PHE A 126 1.351 -3.719 -11.442 1.00 0.00 C ATOM 432 C PHE A 126 1.054 -2.277 -11.841 1.00 0.00 C ATOM 433 O PHE A 126 1.491 -1.811 -12.894 1.00 0.00 O ATOM 434 CB PHE A 126 0.153 -4.610 -11.780 1.00 0.00 C ATOM 435 CG PHE A 126 -0.572 -4.192 -13.026 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.443 -3.114 -13.008 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.384 -4.876 -14.216 1.00 0.00 C ATOM 438 CE1 PHE A 126 -2.113 -2.727 -14.154 1.00 0.00 C ATOM 439 CE2 PHE A 126 -1.051 -4.494 -15.365 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.915 -3.417 -15.334 1.00 0.00 C ATOM 0 H PHE A 126 0.960 -4.290 -9.464 1.00 0.00 H new ATOM 0 HA PHE A 126 2.220 -4.062 -12.004 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.496 -5.638 -11.897 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.545 -4.600 -10.943 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.600 -2.570 -12.088 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.292 -5.718 -14.246 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.790 -1.886 -14.126 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.897 -5.037 -16.286 1.00 0.00 H new ATOM 0 HZ PHE A 126 -2.435 -3.115 -16.231 1.00 0.00 H new ATOM 450 N GLN A 127 0.310 -1.576 -10.993 1.00 0.00 N ATOM 451 CA GLN A 127 -0.046 -0.187 -11.257 1.00 0.00 C ATOM 452 C GLN A 127 1.202 0.676 -11.408 1.00 0.00 C ATOM 453 O GLN A 127 1.303 1.483 -12.331 1.00 0.00 O ATOM 454 CB GLN A 127 -0.926 0.360 -10.131 1.00 0.00 C ATOM 455 CG GLN A 127 -1.594 1.683 -10.468 1.00 0.00 C ATOM 456 CD GLN A 127 -2.482 1.593 -11.693 1.00 0.00 C ATOM 457 OE1 GLN A 127 -3.657 1.235 -11.597 1.00 0.00 O ATOM 458 NE2 GLN A 127 -1.926 1.918 -12.854 1.00 0.00 N ATOM 0 H GLN A 127 -0.058 -1.947 -10.117 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.604 -0.154 -12.193 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.695 -0.375 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.318 0.487 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.189 2.013 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.828 2.440 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.949 2.209 -12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.476 1.876 -13.712 1.00 0.00 H new ATOM 467 N MET A 128 2.151 0.501 -10.493 1.00 0.00 N ATOM 468 CA MET A 128 3.393 1.263 -10.526 1.00 0.00 C ATOM 469 C MET A 128 4.522 0.437 -11.133 1.00 0.00 C ATOM 470 O MET A 128 5.670 0.876 -11.179 1.00 0.00 O ATOM 471 CB MET A 128 3.777 1.713 -9.115 1.00 0.00 C ATOM 472 CG MET A 128 2.828 2.745 -8.527 1.00 0.00 C ATOM 473 SD MET A 128 2.994 2.902 -6.738 1.00 0.00 S ATOM 474 CE MET A 128 2.194 4.480 -6.461 1.00 0.00 C ATOM 0 H MET A 128 2.083 -0.162 -9.720 1.00 0.00 H new ATOM 0 HA MET A 128 3.234 2.142 -11.150 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.805 0.842 -8.460 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.784 2.128 -9.137 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.017 3.713 -8.992 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.802 2.469 -8.770 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.933 5.209 -6.127 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.738 4.825 -7.389 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.423 4.368 -5.698 1.00 0.00 H new ATOM 484 N GLY A 129 4.188 -0.763 -11.598 1.00 0.00 N ATOM 485 CA GLY A 129 5.185 -1.631 -12.196 1.00 0.00 C ATOM 486 C GLY A 129 6.050 -2.321 -11.159 1.00 0.00 C ATOM 487 O GLY A 129 6.275 -3.530 -11.233 1.00 0.00 O ATOM 0 H GLY A 129 3.244 -1.149 -11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.687 -2.383 -12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.819 -1.046 -12.862 1.00 0.00 H new ATOM 491 N LEU A 130 6.537 -1.553 -10.192 1.00 0.00 N ATOM 492 CA LEU A 130 7.384 -2.097 -9.136 1.00 0.00 C ATOM 493 C LEU A 130 6.899 -3.478 -8.706 1.00 0.00 C ATOM 494 O LEU A 130 5.718 -3.800 -8.837 1.00 0.00 O ATOM 495 CB LEU A 130 7.402 -1.153 -7.932 1.00 0.00 C ATOM 496 CG LEU A 130 7.883 0.273 -8.205 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.567 1.178 -7.024 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.376 0.284 -8.503 1.00 0.00 C ATOM 0 H LEU A 130 6.360 -0.551 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 130 8.396 -2.194 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.394 -1.103 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.039 -1.589 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 130 7.355 0.653 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.916 2.188 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.490 1.194 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.068 0.801 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.701 1.307 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.921 -0.116 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.576 -0.331 -9.380 1.00 0.00 H new ATOM 510 N ARG A 131 7.817 -4.288 -8.190 1.00 0.00 N ATOM 511 CA ARG A 131 7.483 -5.634 -7.740 1.00 0.00 C ATOM 512 C ARG A 131 6.699 -5.590 -6.432 1.00 0.00 C ATOM 513 O ARG A 131 6.776 -4.617 -5.681 1.00 0.00 O ATOM 514 CB ARG A 131 8.755 -6.464 -7.558 1.00 0.00 C ATOM 515 CG ARG A 131 9.647 -6.489 -8.788 1.00 0.00 C ATOM 516 CD ARG A 131 8.927 -7.087 -9.987 1.00 0.00 C ATOM 517 NE ARG A 131 9.853 -7.722 -10.921 1.00 0.00 N ATOM 518 CZ ARG A 131 10.472 -8.871 -10.675 1.00 0.00 C ATOM 519 NH1 ARG A 131 10.265 -9.508 -9.531 1.00 0.00 N ATOM 520 NH2 ARG A 131 11.301 -9.385 -11.575 1.00 0.00 N ATOM 0 H ARG A 131 8.798 -4.036 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 131 6.859 -6.101 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.322 -6.065 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.478 -7.486 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.970 -5.475 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.545 -7.069 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 131 8.199 -7.821 -9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 131 8.371 -6.304 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 131 10.034 -7.258 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 131 9.629 -9.116 -8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 131 10.742 -10.390 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 131 11.463 -8.898 -12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 131 11.776 -10.267 -11.385 1.00 0.00 H new ATOM 534 N THR A 132 5.944 -6.651 -6.164 1.00 0.00 N ATOM 535 CA THR A 132 5.145 -6.734 -4.949 1.00 0.00 C ATOM 536 C THR A 132 6.013 -6.565 -3.707 1.00 0.00 C ATOM 537 O THR A 132 5.682 -5.794 -2.807 1.00 0.00 O ATOM 538 CB THR A 132 4.396 -8.077 -4.859 1.00 0.00 C ATOM 539 OG1 THR A 132 3.667 -8.313 -6.068 1.00 0.00 O ATOM 540 CG2 THR A 132 3.441 -8.086 -3.675 1.00 0.00 C ATOM 0 H THR A 132 5.870 -7.465 -6.774 1.00 0.00 H new ATOM 0 HA THR A 132 4.418 -5.923 -4.994 1.00 0.00 H new ATOM 0 HB THR A 132 5.131 -8.869 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.195 -9.169 -6.004 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.924 -9.044 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.003 -7.935 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.711 -7.285 -3.790 1.00 0.00 H new ATOM 548 N GLN A 133 7.126 -7.290 -3.666 1.00 0.00 N ATOM 549 CA GLN A 133 8.042 -7.220 -2.534 1.00 0.00 C ATOM 550 C GLN A 133 8.719 -5.855 -2.465 1.00 0.00 C ATOM 551 O GLN A 133 8.998 -5.343 -1.381 1.00 0.00 O ATOM 552 CB GLN A 133 9.099 -8.321 -2.637 1.00 0.00 C ATOM 553 CG GLN A 133 9.985 -8.431 -1.406 1.00 0.00 C ATOM 554 CD GLN A 133 9.225 -8.894 -0.179 1.00 0.00 C ATOM 555 OE1 GLN A 133 8.567 -9.934 -0.198 1.00 0.00 O ATOM 556 NE2 GLN A 133 9.312 -8.122 0.898 1.00 0.00 N ATOM 0 H GLN A 133 7.415 -7.933 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 133 7.463 -7.365 -1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.601 -9.277 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.725 -8.132 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.798 -9.128 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.440 -7.461 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.869 -7.268 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.822 -8.383 1.754 1.00 0.00 H new ATOM 565 N ASP A 134 8.980 -5.270 -3.629 1.00 0.00 N ATOM 566 CA ASP A 134 9.624 -3.964 -3.701 1.00 0.00 C ATOM 567 C ASP A 134 8.747 -2.890 -3.064 1.00 0.00 C ATOM 568 O ASP A 134 9.221 -2.078 -2.271 1.00 0.00 O ATOM 569 CB ASP A 134 9.923 -3.598 -5.156 1.00 0.00 C ATOM 570 CG ASP A 134 11.058 -2.601 -5.281 1.00 0.00 C ATOM 571 OD1 ASP A 134 12.089 -2.787 -4.600 1.00 0.00 O ATOM 572 OD2 ASP A 134 10.916 -1.636 -6.059 1.00 0.00 O ATOM 0 H ASP A 134 8.755 -5.680 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 134 10.562 -4.018 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.175 -4.502 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.026 -3.182 -5.615 1.00 0.00 H new ATOM 577 N ALA A 135 7.466 -2.893 -3.418 1.00 0.00 N ATOM 578 CA ALA A 135 6.522 -1.921 -2.881 1.00 0.00 C ATOM 579 C ALA A 135 6.398 -2.055 -1.367 1.00 0.00 C ATOM 580 O ALA A 135 6.334 -1.057 -0.649 1.00 0.00 O ATOM 581 CB ALA A 135 5.161 -2.085 -3.541 1.00 0.00 C ATOM 0 H ALA A 135 7.058 -3.558 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 135 6.902 -0.923 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.467 -1.352 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.257 -1.931 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 135 4.783 -3.090 -3.351 1.00 0.00 H new ATOM 587 N ILE A 136 6.363 -3.294 -0.889 1.00 0.00 N ATOM 588 CA ILE A 136 6.246 -3.558 0.540 1.00 0.00 C ATOM 589 C ILE A 136 7.417 -2.954 1.308 1.00 0.00 C ATOM 590 O ILE A 136 7.237 -2.375 2.378 1.00 0.00 O ATOM 591 CB ILE A 136 6.182 -5.070 0.830 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.925 -5.678 0.205 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.210 -5.323 2.330 1.00 0.00 C ATOM 594 CD1 ILE A 136 5.007 -7.177 0.018 1.00 0.00 C ATOM 0 H ILE A 136 6.414 -4.131 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 136 5.318 -3.093 0.872 1.00 0.00 H new ATOM 0 HB ILE A 136 7.054 -5.548 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 136 4.067 -5.445 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.747 -5.209 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.164 -6.396 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.131 -4.920 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.354 -4.835 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.081 -7.539 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.845 -7.417 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.154 -7.657 0.986 1.00 0.00 H new ATOM 606 N ASN A 137 8.616 -3.092 0.752 1.00 0.00 N ATOM 607 CA ASN A 137 9.817 -2.559 1.385 1.00 0.00 C ATOM 608 C ASN A 137 9.675 -1.062 1.647 1.00 0.00 C ATOM 609 O ASN A 137 10.030 -0.574 2.720 1.00 0.00 O ATOM 610 CB ASN A 137 11.041 -2.819 0.504 1.00 0.00 C ATOM 611 CG ASN A 137 11.677 -4.168 0.782 1.00 0.00 C ATOM 612 OD1 ASN A 137 12.050 -4.469 1.916 1.00 0.00 O ATOM 613 ND2 ASN A 137 11.803 -4.987 -0.256 1.00 0.00 N ATOM 0 H ASN A 137 8.782 -3.568 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 137 9.950 -3.067 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.748 -2.768 -0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.777 -2.032 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.223 -5.908 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.479 -4.695 -1.178 1.00 0.00 H new ATOM 620 N ARG A 138 9.152 -0.341 0.661 1.00 0.00 N ATOM 621 CA ARG A 138 8.963 1.099 0.784 1.00 0.00 C ATOM 622 C ARG A 138 7.952 1.422 1.880 1.00 0.00 C ATOM 623 O ARG A 138 8.183 2.300 2.712 1.00 0.00 O ATOM 624 CB ARG A 138 8.495 1.690 -0.547 1.00 0.00 C ATOM 625 CG ARG A 138 9.635 2.109 -1.461 1.00 0.00 C ATOM 626 CD ARG A 138 10.330 0.904 -2.074 1.00 0.00 C ATOM 627 NE ARG A 138 11.424 0.418 -1.237 1.00 0.00 N ATOM 628 CZ ARG A 138 12.601 1.027 -1.140 1.00 0.00 C ATOM 629 NH1 ARG A 138 12.835 2.139 -1.823 1.00 0.00 N ATOM 630 NH2 ARG A 138 13.546 0.524 -0.357 1.00 0.00 N ATOM 0 H ARG A 138 8.851 -0.731 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 138 9.921 1.544 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.877 0.956 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.863 2.555 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.250 2.750 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.357 2.699 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.605 0.104 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.717 1.170 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 138 11.276 -0.435 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.110 2.530 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.740 2.604 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 138 13.369 -0.331 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 138 14.449 0.992 -0.283 1.00 0.00 H new ATOM 644 N ILE A 139 6.832 0.708 1.873 1.00 0.00 N ATOM 645 CA ILE A 139 5.786 0.919 2.867 1.00 0.00 C ATOM 646 C ILE A 139 6.293 0.613 4.272 1.00 0.00 C ATOM 647 O ILE A 139 5.973 1.323 5.225 1.00 0.00 O ATOM 648 CB ILE A 139 4.550 0.046 2.578 1.00 0.00 C ATOM 649 CG1 ILE A 139 4.024 0.321 1.167 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.466 0.303 3.613 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.106 -0.762 0.644 1.00 0.00 C ATOM 0 H ILE A 139 6.625 -0.021 1.191 1.00 0.00 H new ATOM 0 HA ILE A 139 5.501 1.969 2.807 1.00 0.00 H new ATOM 0 HB ILE A 139 4.841 -1.003 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.490 1.271 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.869 0.429 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.599 -0.321 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.846 0.062 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.174 1.353 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.771 -0.502 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.643 -1.710 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.242 -0.855 1.302 1.00 0.00 H new ATOM 663 N GLN A 140 7.086 -0.447 4.391 1.00 0.00 N ATOM 664 CA GLN A 140 7.639 -0.845 5.681 1.00 0.00 C ATOM 665 C GLN A 140 8.519 0.257 6.260 1.00 0.00 C ATOM 666 O GLN A 140 8.488 0.521 7.462 1.00 0.00 O ATOM 667 CB GLN A 140 8.447 -2.136 5.536 1.00 0.00 C ATOM 668 CG GLN A 140 7.586 -3.377 5.365 1.00 0.00 C ATOM 669 CD GLN A 140 8.302 -4.646 5.784 1.00 0.00 C ATOM 670 OE1 GLN A 140 9.394 -4.598 6.351 1.00 0.00 O ATOM 671 NE2 GLN A 140 7.689 -5.791 5.506 1.00 0.00 N ATOM 0 H GLN A 140 7.360 -1.045 3.611 1.00 0.00 H new ATOM 0 HA GLN A 140 6.809 -1.019 6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 140 9.112 -2.044 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 140 9.078 -2.260 6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.675 -3.267 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 140 7.282 -3.463 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.784 -5.784 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.123 -6.677 5.764 1.00 0.00 H new ATOM 680 N ASP A 141 9.301 0.897 5.399 1.00 0.00 N ATOM 681 CA ASP A 141 10.190 1.972 5.825 1.00 0.00 C ATOM 682 C ASP A 141 9.391 3.189 6.279 1.00 0.00 C ATOM 683 O ASP A 141 9.731 3.834 7.272 1.00 0.00 O ATOM 684 CB ASP A 141 11.136 2.362 4.688 1.00 0.00 C ATOM 685 CG ASP A 141 11.910 3.630 4.989 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.352 3.795 6.145 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.075 4.458 4.068 1.00 0.00 O ATOM 0 H ASP A 141 9.338 0.690 4.401 1.00 0.00 H new ATOM 0 HA ASP A 141 10.779 1.611 6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.836 1.547 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.561 2.499 3.772 1.00 0.00 H new ATOM 692 N LEU A 142 8.328 3.500 5.545 1.00 0.00 N ATOM 693 CA LEU A 142 7.480 4.641 5.872 1.00 0.00 C ATOM 694 C LEU A 142 6.692 4.386 7.152 1.00 0.00 C ATOM 695 O LEU A 142 6.575 5.264 8.008 1.00 0.00 O ATOM 696 CB LEU A 142 6.519 4.934 4.718 1.00 0.00 C ATOM 697 CG LEU A 142 7.166 5.301 3.382 1.00 0.00 C ATOM 698 CD1 LEU A 142 6.128 5.312 2.271 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.860 6.652 3.479 1.00 0.00 C ATOM 0 H LEU A 142 8.033 2.978 4.720 1.00 0.00 H new ATOM 0 HA LEU A 142 8.124 5.506 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.889 4.058 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.862 5.751 5.017 1.00 0.00 H new ATOM 0 HG LEU A 142 7.915 4.546 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.607 5.575 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.676 4.324 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.355 6.045 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 142 8.315 6.897 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.130 7.418 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.633 6.610 4.247 1.00 0.00 H new ATOM 711 N LEU A 143 6.154 3.178 7.279 1.00 0.00 N ATOM 712 CA LEU A 143 5.379 2.805 8.457 1.00 0.00 C ATOM 713 C LEU A 143 6.249 2.820 9.709 1.00 0.00 C ATOM 714 O LEU A 143 5.780 3.140 10.802 1.00 0.00 O ATOM 715 CB LEU A 143 4.761 1.419 8.267 1.00 0.00 C ATOM 716 CG LEU A 143 3.580 1.337 7.299 1.00 0.00 C ATOM 717 CD1 LEU A 143 3.002 -0.070 7.280 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.510 2.350 7.676 1.00 0.00 C ATOM 0 H LEU A 143 6.240 2.440 6.580 1.00 0.00 H new ATOM 0 HA LEU A 143 4.581 3.537 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.539 0.741 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.433 1.053 9.240 1.00 0.00 H new ATOM 0 HG LEU A 143 3.939 1.574 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 143 2.163 -0.109 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.770 -0.775 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.659 -0.336 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.677 2.277 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 143 2.154 2.145 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.930 3.355 7.637 1.00 0.00 H new ATOM 730 N THR A 144 7.522 2.472 9.543 1.00 0.00 N ATOM 731 CA THR A 144 8.459 2.446 10.659 1.00 0.00 C ATOM 732 C THR A 144 8.745 3.853 11.170 1.00 0.00 C ATOM 733 O THR A 144 8.760 4.094 12.376 1.00 0.00 O ATOM 734 CB THR A 144 9.788 1.776 10.261 1.00 0.00 C ATOM 735 OG1 THR A 144 9.542 0.455 9.766 1.00 0.00 O ATOM 736 CG2 THR A 144 10.737 1.710 11.448 1.00 0.00 C ATOM 0 H THR A 144 7.927 2.204 8.646 1.00 0.00 H new ATOM 0 HA THR A 144 7.990 1.863 11.452 1.00 0.00 H new ATOM 0 HB THR A 144 10.252 2.376 9.478 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.474 0.479 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.668 1.233 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.945 2.719 11.804 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.278 1.131 12.249 1.00 0.00 H new ATOM 744 N GLU A 145 8.972 4.779 10.243 1.00 0.00 N ATOM 745 CA GLU A 145 9.258 6.163 10.602 1.00 0.00 C ATOM 746 C GLU A 145 8.014 6.849 11.160 1.00 0.00 C ATOM 747 O GLU A 145 8.108 7.856 11.860 1.00 0.00 O ATOM 748 CB GLU A 145 9.774 6.933 9.384 1.00 0.00 C ATOM 749 CG GLU A 145 11.062 6.368 8.808 1.00 0.00 C ATOM 750 CD GLU A 145 12.175 6.290 9.835 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.741 7.350 10.177 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.480 5.171 10.297 1.00 0.00 O ATOM 0 H GLU A 145 8.963 4.596 9.240 1.00 0.00 H new ATOM 0 HA GLU A 145 10.027 6.159 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.007 6.928 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.937 7.974 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.871 5.372 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 145 11.386 6.990 7.973 1.00 0.00 H new ATOM 759 N GLY A 146 6.847 6.294 10.844 1.00 0.00 N ATOM 760 CA GLY A 146 5.601 6.865 11.322 1.00 0.00 C ATOM 761 C GLY A 146 4.843 7.597 10.231 1.00 0.00 C ATOM 762 O GLY A 146 3.618 7.704 10.281 1.00 0.00 O ATOM 0 H GLY A 146 6.743 5.460 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.973 6.072 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.811 7.554 12.140 1.00 0.00 H new ATOM 766 N THR A 147 5.574 8.103 9.243 1.00 0.00 N ATOM 767 CA THR A 147 4.964 8.831 8.137 1.00 0.00 C ATOM 768 C THR A 147 3.614 8.230 7.761 1.00 0.00 C ATOM 769 O THR A 147 2.698 8.943 7.350 1.00 0.00 O ATOM 770 CB THR A 147 5.875 8.834 6.895 1.00 0.00 C ATOM 771 OG1 THR A 147 7.126 9.458 7.207 1.00 0.00 O ATOM 772 CG2 THR A 147 5.212 9.566 5.739 1.00 0.00 C ATOM 0 H THR A 147 6.589 8.022 9.186 1.00 0.00 H new ATOM 0 HA THR A 147 4.821 9.857 8.476 1.00 0.00 H new ATOM 0 HB THR A 147 6.049 7.800 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.700 9.455 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.874 9.555 4.873 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.275 9.071 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.011 10.597 6.029 1.00 0.00 H new ATOM 780 N LEU A 148 3.497 6.914 7.906 1.00 0.00 N ATOM 781 CA LEU A 148 2.258 6.216 7.582 1.00 0.00 C ATOM 782 C LEU A 148 1.872 5.246 8.694 1.00 0.00 C ATOM 783 O LEU A 148 2.735 4.647 9.337 1.00 0.00 O ATOM 784 CB LEU A 148 2.405 5.462 6.259 1.00 0.00 C ATOM 785 CG LEU A 148 2.316 6.309 4.990 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.920 5.565 3.808 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.871 6.688 4.701 1.00 0.00 C ATOM 0 H LEU A 148 4.245 6.310 8.246 1.00 0.00 H new ATOM 0 HA LEU A 148 1.467 6.959 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.366 4.948 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.633 4.694 6.214 1.00 0.00 H new ATOM 0 HG LEU A 148 2.886 7.225 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.848 6.183 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.968 5.345 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.378 4.633 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.827 7.291 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.278 5.784 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.471 7.261 5.537 1.00 0.00 H new ATOM 799 N THR A 149 0.570 5.094 8.915 1.00 0.00 N ATOM 800 CA THR A 149 0.070 4.195 9.948 1.00 0.00 C ATOM 801 C THR A 149 -0.948 3.215 9.378 1.00 0.00 C ATOM 802 O THR A 149 -1.966 3.618 8.816 1.00 0.00 O ATOM 803 CB THR A 149 -0.578 4.977 11.106 1.00 0.00 C ATOM 804 OG1 THR A 149 0.380 5.861 11.698 1.00 0.00 O ATOM 805 CG2 THR A 149 -1.120 4.027 12.164 1.00 0.00 C ATOM 0 H THR A 149 -0.157 5.582 8.392 1.00 0.00 H new ATOM 0 HA THR A 149 0.928 3.641 10.329 1.00 0.00 H new ATOM 0 HB THR A 149 -1.407 5.558 10.703 1.00 0.00 H new ATOM 0 HG1 THR A 149 -0.041 6.355 12.432 1.00 0.00 H new ATOM 0 HG21 THR A 149 -1.573 4.602 12.972 1.00 0.00 H new ATOM 0 HG22 THR A 149 -1.871 3.375 11.717 1.00 0.00 H new ATOM 0 HG23 THR A 149 -0.305 3.422 12.562 1.00 0.00 H new ATOM 813 N GLY A 150 -0.668 1.924 9.528 1.00 0.00 N ATOM 814 CA GLY A 150 -1.571 0.905 9.024 1.00 0.00 C ATOM 815 C GLY A 150 -1.217 -0.482 9.523 1.00 0.00 C ATOM 816 O GLY A 150 -0.205 -0.667 10.199 1.00 0.00 O ATOM 0 H GLY A 150 0.168 1.565 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.590 1.147 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.550 0.912 7.934 1.00 0.00 H new ATOM 820 N VAL A 151 -2.055 -1.459 9.191 1.00 0.00 N ATOM 821 CA VAL A 151 -1.826 -2.837 9.611 1.00 0.00 C ATOM 822 C VAL A 151 -1.985 -3.801 8.441 1.00 0.00 C ATOM 823 O VAL A 151 -2.718 -3.525 7.491 1.00 0.00 O ATOM 824 CB VAL A 151 -2.793 -3.248 10.736 1.00 0.00 C ATOM 825 CG1 VAL A 151 -2.600 -2.362 11.957 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.233 -3.192 10.248 1.00 0.00 C ATOM 0 H VAL A 151 -2.898 -1.322 8.633 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.803 -2.889 9.984 1.00 0.00 H new ATOM 0 HB VAL A 151 -2.571 -4.275 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.292 -2.668 12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -1.576 -2.459 12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -2.793 -1.324 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -4.903 -3.486 11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.470 -2.177 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.359 -3.874 9.407 1.00 0.00 H new ATOM 836 N ILE A 152 -1.295 -4.934 8.517 1.00 0.00 N ATOM 837 CA ILE A 152 -1.361 -5.941 7.465 1.00 0.00 C ATOM 838 C ILE A 152 -1.793 -7.292 8.024 1.00 0.00 C ATOM 839 O ILE A 152 -1.120 -7.866 8.880 1.00 0.00 O ATOM 840 CB ILE A 152 -0.004 -6.102 6.754 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.404 -4.789 6.083 1.00 0.00 C ATOM 842 CG2 ILE A 152 -0.072 -7.227 5.732 1.00 0.00 C ATOM 843 CD1 ILE A 152 1.863 -4.740 5.689 1.00 0.00 C ATOM 0 H ILE A 152 -0.684 -5.178 9.296 1.00 0.00 H new ATOM 0 HA ILE A 152 -2.101 -5.596 6.743 1.00 0.00 H new ATOM 0 HB ILE A 152 0.751 -6.358 7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 152 -0.209 -4.639 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.191 -3.962 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 152 0.894 -7.329 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.322 -8.161 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.837 -6.999 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.081 -3.781 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.484 -4.859 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.077 -5.545 4.986 1.00 0.00 H new ATOM 855 N ASP A 153 -2.920 -7.796 7.532 1.00 0.00 N ATOM 856 CA ASP A 153 -3.441 -9.082 7.979 1.00 0.00 C ATOM 857 C ASP A 153 -2.627 -10.232 7.394 1.00 0.00 C ATOM 858 O ASP A 153 -1.804 -10.031 6.502 1.00 0.00 O ATOM 859 CB ASP A 153 -4.911 -9.227 7.581 1.00 0.00 C ATOM 860 CG ASP A 153 -5.241 -8.482 6.303 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.142 -7.237 6.300 1.00 0.00 O ATOM 862 OD2 ASP A 153 -5.598 -9.144 5.306 1.00 0.00 O ATOM 0 H ASP A 153 -3.490 -7.333 6.824 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.361 -9.120 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.147 -10.283 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.541 -8.854 8.388 1.00 0.00 H new ATOM 867 N ASP A 154 -2.863 -11.436 7.904 1.00 0.00 N ATOM 868 CA ASP A 154 -2.152 -12.619 7.432 1.00 0.00 C ATOM 869 C ASP A 154 -2.674 -13.059 6.068 1.00 0.00 C ATOM 870 O ASP A 154 -2.202 -14.044 5.500 1.00 0.00 O ATOM 871 CB ASP A 154 -2.293 -13.761 8.439 1.00 0.00 C ATOM 872 CG ASP A 154 -1.582 -15.022 7.988 1.00 0.00 C ATOM 873 OD1 ASP A 154 -0.583 -14.907 7.248 1.00 0.00 O ATOM 874 OD2 ASP A 154 -2.025 -16.124 8.375 1.00 0.00 O ATOM 0 H ASP A 154 -3.541 -11.619 8.644 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.097 -12.362 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -1.890 -13.445 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -3.350 -13.978 8.592 1.00 0.00 H new ATOM 879 N ARG A 155 -3.651 -12.323 5.549 1.00 0.00 N ATOM 880 CA ARG A 155 -4.240 -12.639 4.253 1.00 0.00 C ATOM 881 C ARG A 155 -3.436 -12.004 3.122 1.00 0.00 C ATOM 882 O ARG A 155 -3.687 -12.264 1.946 1.00 0.00 O ATOM 883 CB ARG A 155 -5.690 -12.157 4.196 1.00 0.00 C ATOM 884 CG ARG A 155 -6.696 -13.194 4.668 1.00 0.00 C ATOM 885 CD ARG A 155 -7.109 -14.124 3.538 1.00 0.00 C ATOM 886 NE ARG A 155 -6.102 -15.150 3.277 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.038 -15.847 2.148 1.00 0.00 C ATOM 888 NH1 ARG A 155 -6.917 -15.629 1.180 1.00 0.00 N ATOM 889 NH2 ARG A 155 -5.092 -16.763 1.986 1.00 0.00 N ATOM 0 H ARG A 155 -4.052 -11.504 6.006 1.00 0.00 H new ATOM 0 HA ARG A 155 -4.220 -13.722 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.790 -11.261 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.929 -11.871 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.264 -13.777 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -7.577 -12.692 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.056 -14.601 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.276 -13.542 2.632 1.00 0.00 H new ATOM 0 HE ARG A 155 -5.410 -15.342 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -7.645 -14.925 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -6.866 -16.166 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -4.413 -16.932 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -5.043 -17.298 1.119 1.00 0.00 H new ATOM 903 N GLY A 156 -2.469 -11.168 3.487 1.00 0.00 N ATOM 904 CA GLY A 156 -1.644 -10.508 2.492 1.00 0.00 C ATOM 905 C GLY A 156 -2.317 -9.284 1.900 1.00 0.00 C ATOM 906 O GLY A 156 -2.144 -8.981 0.720 1.00 0.00 O ATOM 0 H GLY A 156 -2.242 -10.936 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.697 -10.215 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -1.410 -11.212 1.694 1.00 0.00 H new ATOM 910 N LYS A 157 -3.087 -8.580 2.722 1.00 0.00 N ATOM 911 CA LYS A 157 -3.789 -7.382 2.275 1.00 0.00 C ATOM 912 C LYS A 157 -3.339 -6.160 3.068 1.00 0.00 C ATOM 913 O LYS A 157 -2.934 -6.273 4.226 1.00 0.00 O ATOM 914 CB LYS A 157 -5.301 -7.569 2.420 1.00 0.00 C ATOM 915 CG LYS A 157 -5.906 -8.474 1.361 1.00 0.00 C ATOM 916 CD LYS A 157 -7.420 -8.342 1.313 1.00 0.00 C ATOM 917 CE LYS A 157 -8.087 -9.193 2.383 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.381 -10.569 1.894 1.00 0.00 N ATOM 0 H LYS A 157 -3.241 -8.818 3.702 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.548 -7.220 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.515 -7.983 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.786 -6.594 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.487 -8.225 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.637 -9.510 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.700 -7.298 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.782 -8.642 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.440 -9.249 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -9.013 -8.715 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.835 -11.117 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -9.019 -10.517 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.494 -11.035 1.614 1.00 0.00 H new ATOM 932 N PHE A 158 -3.413 -4.992 2.439 1.00 0.00 N ATOM 933 CA PHE A 158 -3.013 -3.748 3.087 1.00 0.00 C ATOM 934 C PHE A 158 -4.235 -2.920 3.476 1.00 0.00 C ATOM 935 O PHE A 158 -5.078 -2.606 2.635 1.00 0.00 O ATOM 936 CB PHE A 158 -2.106 -2.934 2.161 1.00 0.00 C ATOM 937 CG PHE A 158 -1.425 -1.785 2.847 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.414 -2.011 3.766 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.796 -0.478 2.572 1.00 0.00 C ATOM 940 CE1 PHE A 158 0.214 -0.954 4.400 1.00 0.00 C ATOM 941 CE2 PHE A 158 -1.172 0.582 3.202 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.165 0.343 4.116 1.00 0.00 C ATOM 0 H PHE A 158 -3.746 -4.881 1.481 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.463 -4.001 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -1.349 -3.593 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.698 -2.551 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.113 -3.024 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -2.582 -0.286 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.000 -1.143 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.471 1.596 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.326 1.170 4.608 1.00 0.00 H new ATOM 952 N ILE A 159 -4.323 -2.572 4.755 1.00 0.00 N ATOM 953 CA ILE A 159 -5.440 -1.781 5.256 1.00 0.00 C ATOM 954 C ILE A 159 -4.951 -0.504 5.931 1.00 0.00 C ATOM 955 O ILE A 159 -4.308 -0.551 6.980 1.00 0.00 O ATOM 956 CB ILE A 159 -6.293 -2.583 6.256 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.855 -3.840 5.589 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.420 -1.719 6.803 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.376 -4.865 6.572 1.00 0.00 C ATOM 0 H ILE A 159 -3.634 -2.825 5.463 1.00 0.00 H new ATOM 0 HA ILE A 159 -6.054 -1.520 4.394 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.658 -2.889 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.661 -3.553 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.076 -4.297 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.014 -2.300 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -6.999 -0.851 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.055 -1.386 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.759 -5.729 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.568 -5.180 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.178 -4.425 7.165 1.00 0.00 H new ATOM 971 N TYR A 160 -5.261 0.636 5.323 1.00 0.00 N ATOM 972 CA TYR A 160 -4.853 1.926 5.865 1.00 0.00 C ATOM 973 C TYR A 160 -5.987 2.567 6.659 1.00 0.00 C ATOM 974 O TYR A 160 -7.163 2.342 6.374 1.00 0.00 O ATOM 975 CB TYR A 160 -4.413 2.861 4.737 1.00 0.00 C ATOM 976 CG TYR A 160 -3.569 4.023 5.207 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.362 3.810 5.863 1.00 0.00 C ATOM 978 CD2 TYR A 160 -3.977 5.334 4.996 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.588 4.869 6.295 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.208 6.400 5.423 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.015 6.162 6.073 1.00 0.00 C ATOM 982 OH TYR A 160 -1.246 7.220 6.501 1.00 0.00 O ATOM 0 H TYR A 160 -5.793 0.692 4.455 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.012 1.759 6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.849 2.288 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.298 3.247 4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.024 2.799 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -4.912 5.524 4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.653 4.686 6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.539 7.413 5.249 1.00 0.00 H new ATOM 0 HH TYR A 160 -1.688 8.062 6.266 1.00 0.00 H new ATOM 992 N ILE A 161 -5.624 3.367 7.656 1.00 0.00 N ATOM 993 CA ILE A 161 -6.610 4.043 8.490 1.00 0.00 C ATOM 994 C ILE A 161 -6.555 5.554 8.292 1.00 0.00 C ATOM 995 O ILE A 161 -5.903 6.268 9.055 1.00 0.00 O ATOM 996 CB ILE A 161 -6.398 3.724 9.982 1.00 0.00 C ATOM 997 CG1 ILE A 161 -6.512 2.218 10.225 1.00 0.00 C ATOM 998 CG2 ILE A 161 -7.406 4.481 10.834 1.00 0.00 C ATOM 999 CD1 ILE A 161 -5.930 1.773 11.549 1.00 0.00 C ATOM 0 H ILE A 161 -4.655 3.563 7.906 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.589 3.675 8.183 1.00 0.00 H new ATOM 0 HB ILE A 161 -5.396 4.045 10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -7.563 1.930 10.184 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.005 1.689 9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -7.243 4.245 11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -7.281 5.553 10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -8.416 4.188 10.549 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.046 0.694 11.653 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -4.871 2.029 11.586 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.453 2.275 12.363 1.00 0.00 H new