USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 62 THR OG1 : rot 130:sc= 0.439 USER MOD Single : A 65 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.017) USER MOD Single : A 66 MET CE :methyl 133:sc= -0.776 (180deg=-1.98!) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -0.278 (180deg=-1.37!) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.782 (180deg=-1.19) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 179:sc= 1.28 USER MOD Single : A 95 SER OG : rot -13:sc= 0.746! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc=-0.00547 (180deg=-0.73) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 84:sc= 0.371 USER MOD Single : A 107 ASN : amide:sc=-0.00541 X(o=-0.0054,f=-0.23) USER MOD Single : A 108 THR OG1 : rot -65:sc= 1.05 USER MOD Single : A 109 SER OG : rot 180:sc= -0.527 USER MOD Single : A 110 CYS SG : rot -38:sc= -0.256 USER MOD Single : A 118 CYS SG : rot -170:sc= -0.115 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 175:sc= -0.453 USER MOD Single : A 130 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.180 -2.138 -4.682 1.00 0.00 N ATOM 79 CA THR A 62 -12.401 -3.151 -3.651 1.00 0.00 C ATOM 80 C THR A 62 -11.115 -3.396 -2.865 1.00 0.00 C ATOM 81 O THR A 62 -10.018 -3.288 -3.414 1.00 0.00 O ATOM 82 CB THR A 62 -12.861 -4.458 -4.304 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.724 -5.209 -4.706 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.726 -4.145 -5.527 1.00 0.00 C ATOM 0 HA THR A 62 -13.171 -2.795 -2.966 1.00 0.00 H new ATOM 0 HB THR A 62 -13.446 -5.036 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.805 -6.128 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.052 -5.076 -5.990 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.598 -3.569 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.145 -3.567 -6.245 1.00 0.00 H new ATOM 92 N PRO A 63 -11.221 -3.722 -1.599 1.00 0.00 N ATOM 93 CA PRO A 63 -10.028 -3.982 -0.736 1.00 0.00 C ATOM 94 C PRO A 63 -9.208 -5.166 -1.246 1.00 0.00 C ATOM 95 O PRO A 63 -7.979 -5.162 -1.170 1.00 0.00 O ATOM 96 CB PRO A 63 -10.621 -4.272 0.651 1.00 0.00 C ATOM 97 CG PRO A 63 -12.054 -4.624 0.413 1.00 0.00 C ATOM 98 CD PRO A 63 -12.478 -3.883 -0.853 1.00 0.00 C ATOM 0 HA PRO A 63 -9.337 -3.139 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.093 -5.091 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.534 -3.403 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.174 -5.700 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.672 -4.329 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.212 -4.452 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.932 -2.920 -0.620 1.00 0.00 H new ATOM 106 N GLU A 64 -9.898 -6.172 -1.770 1.00 0.00 N ATOM 107 CA GLU A 64 -9.225 -7.354 -2.294 1.00 0.00 C ATOM 108 C GLU A 64 -8.454 -7.005 -3.562 1.00 0.00 C ATOM 109 O GLU A 64 -7.329 -7.458 -3.762 1.00 0.00 O ATOM 110 CB GLU A 64 -10.252 -8.447 -2.599 1.00 0.00 C ATOM 111 CG GLU A 64 -9.529 -9.749 -2.957 1.00 0.00 C ATOM 112 CD GLU A 64 -8.815 -10.303 -1.728 1.00 0.00 C ATOM 113 OE1 GLU A 64 -9.133 -9.866 -0.634 1.00 0.00 O ATOM 114 OE2 GLU A 64 -7.961 -11.157 -1.899 1.00 0.00 O ATOM 0 H GLU A 64 -10.915 -6.194 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.524 -7.718 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.898 -8.604 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.893 -8.137 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.244 -10.480 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.809 -9.568 -3.755 1.00 0.00 H new ATOM 121 N GLN A 65 -9.072 -6.194 -4.417 1.00 0.00 N ATOM 122 CA GLN A 65 -8.436 -5.788 -5.663 1.00 0.00 C ATOM 123 C GLN A 65 -7.146 -5.025 -5.384 1.00 0.00 C ATOM 124 O GLN A 65 -6.079 -5.389 -5.881 1.00 0.00 O ATOM 125 CB GLN A 65 -9.388 -4.904 -6.471 1.00 0.00 C ATOM 126 CG GLN A 65 -8.688 -4.429 -7.746 1.00 0.00 C ATOM 127 CD GLN A 65 -9.707 -3.823 -8.706 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.347 -3.390 -9.800 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.963 -3.766 -8.359 1.00 0.00 N ATOM 0 H GLN A 65 -10.005 -5.809 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.197 -6.685 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.290 -5.461 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.700 -4.047 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.925 -3.691 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.178 -5.266 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.258 -4.126 -7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.650 -3.362 -8.995 1.00 0.00 H new ATOM 138 N MET A 66 -7.248 -3.966 -4.587 1.00 0.00 N ATOM 139 CA MET A 66 -6.077 -3.163 -4.254 1.00 0.00 C ATOM 140 C MET A 66 -5.020 -4.018 -3.561 1.00 0.00 C ATOM 141 O MET A 66 -3.823 -3.831 -3.771 1.00 0.00 O ATOM 142 CB MET A 66 -6.478 -1.999 -3.342 1.00 0.00 C ATOM 143 CG MET A 66 -7.121 -2.542 -2.066 1.00 0.00 C ATOM 144 SD MET A 66 -7.616 -1.160 -1.004 1.00 0.00 S ATOM 145 CE MET A 66 -8.849 -0.436 -2.113 1.00 0.00 C ATOM 0 H MET A 66 -8.119 -3.646 -4.164 1.00 0.00 H new ATOM 0 HA MET A 66 -5.658 -2.767 -5.179 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.601 -1.401 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.176 -1.341 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.989 -3.152 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.419 -3.187 -1.538 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.759 -0.218 -1.553 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.457 0.487 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.076 -1.140 -2.914 1.00 0.00 H new ATOM 155 N ALA A 67 -5.474 -4.955 -2.733 1.00 0.00 N ATOM 156 CA ALA A 67 -4.556 -5.831 -2.015 1.00 0.00 C ATOM 157 C ALA A 67 -3.802 -6.734 -2.985 1.00 0.00 C ATOM 158 O ALA A 67 -2.626 -7.036 -2.777 1.00 0.00 O ATOM 159 CB ALA A 67 -5.332 -6.687 -1.013 1.00 0.00 C ATOM 0 H ALA A 67 -6.462 -5.126 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.834 -5.212 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.641 -7.339 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.843 -6.040 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.066 -7.293 -1.544 1.00 0.00 H new ATOM 165 N LYS A 68 -4.483 -7.162 -4.040 1.00 0.00 N ATOM 166 CA LYS A 68 -3.863 -8.033 -5.033 1.00 0.00 C ATOM 167 C LYS A 68 -2.779 -7.283 -5.802 1.00 0.00 C ATOM 168 O LYS A 68 -1.654 -7.765 -5.932 1.00 0.00 O ATOM 169 CB LYS A 68 -4.924 -8.548 -6.011 1.00 0.00 C ATOM 170 CG LYS A 68 -5.732 -9.668 -5.345 1.00 0.00 C ATOM 171 CD LYS A 68 -6.941 -10.028 -6.215 1.00 0.00 C ATOM 172 CE LYS A 68 -6.511 -10.986 -7.330 1.00 0.00 C ATOM 173 NZ LYS A 68 -5.938 -12.224 -6.726 1.00 0.00 N ATOM 0 H LYS A 68 -5.456 -6.924 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.406 -8.877 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.586 -7.734 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.448 -8.919 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.102 -10.546 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.066 -9.350 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.715 -10.491 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.373 -9.124 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.365 -11.237 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.773 -10.506 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.156 -13.040 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.907 -12.123 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.351 -12.374 -5.783 1.00 0.00 H new ATOM 187 N GLU A 69 -3.126 -6.104 -6.309 1.00 0.00 N ATOM 188 CA GLU A 69 -2.174 -5.295 -7.067 1.00 0.00 C ATOM 189 C GLU A 69 -1.027 -4.835 -6.174 1.00 0.00 C ATOM 190 O GLU A 69 0.122 -4.749 -6.613 1.00 0.00 O ATOM 191 CB GLU A 69 -2.883 -4.076 -7.658 1.00 0.00 C ATOM 192 CG GLU A 69 -3.855 -4.527 -8.751 1.00 0.00 C ATOM 193 CD GLU A 69 -3.084 -4.909 -10.009 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.685 -6.058 -10.110 1.00 0.00 O ATOM 195 OE2 GLU A 69 -2.904 -4.048 -10.854 1.00 0.00 O ATOM 0 H GLU A 69 -4.052 -5.689 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.767 -5.907 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.422 -3.542 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.151 -3.382 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.440 -5.377 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.560 -3.726 -8.975 1.00 0.00 H new ATOM 202 N MET A 70 -1.343 -4.539 -4.920 1.00 0.00 N ATOM 203 CA MET A 70 -0.329 -4.087 -3.975 1.00 0.00 C ATOM 204 C MET A 70 0.571 -5.250 -3.563 1.00 0.00 C ATOM 205 O MET A 70 1.785 -5.212 -3.765 1.00 0.00 O ATOM 206 CB MET A 70 -1.002 -3.491 -2.733 1.00 0.00 C ATOM 207 CG MET A 70 -1.431 -2.047 -3.012 1.00 0.00 C ATOM 208 SD MET A 70 -1.817 -1.221 -1.447 1.00 0.00 S ATOM 209 CE MET A 70 -3.245 -2.237 -0.997 1.00 0.00 C ATOM 0 H MET A 70 -2.286 -4.603 -4.535 1.00 0.00 H new ATOM 0 HA MET A 70 0.281 -3.323 -4.458 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.870 -4.090 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.314 -3.518 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.635 -1.513 -3.531 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.302 -2.035 -3.667 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.745 -1.800 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.940 -2.279 -1.835 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.911 -3.245 -0.752 1.00 0.00 H new ATOM 219 N SER A 71 -0.032 -6.277 -2.978 1.00 0.00 N ATOM 220 CA SER A 71 0.720 -7.443 -2.529 1.00 0.00 C ATOM 221 C SER A 71 1.682 -7.927 -3.612 1.00 0.00 C ATOM 222 O SER A 71 2.863 -8.148 -3.345 1.00 0.00 O ATOM 223 CB SER A 71 -0.239 -8.571 -2.151 1.00 0.00 C ATOM 224 OG SER A 71 0.495 -9.777 -1.987 1.00 0.00 O ATOM 0 H SER A 71 -1.036 -6.327 -2.804 1.00 0.00 H new ATOM 0 HA SER A 71 1.303 -7.153 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.764 -8.323 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.996 -8.695 -2.925 1.00 0.00 H new ATOM 0 HG SER A 71 -0.117 -10.502 -1.743 1.00 0.00 H new ATOM 230 N GLU A 72 1.177 -8.096 -4.832 1.00 0.00 N ATOM 231 CA GLU A 72 2.022 -8.561 -5.925 1.00 0.00 C ATOM 232 C GLU A 72 3.090 -7.522 -6.254 1.00 0.00 C ATOM 233 O GLU A 72 4.251 -7.866 -6.474 1.00 0.00 O ATOM 234 CB GLU A 72 1.177 -8.860 -7.168 1.00 0.00 C ATOM 235 CG GLU A 72 0.662 -7.554 -7.770 1.00 0.00 C ATOM 236 CD GLU A 72 -0.374 -7.852 -8.848 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.354 -8.510 -8.535 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.173 -7.418 -9.971 1.00 0.00 O ATOM 0 H GLU A 72 0.204 -7.921 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 72 2.515 -9.480 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.774 -9.400 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.339 -9.504 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.220 -6.934 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.491 -6.988 -8.196 1.00 0.00 H new ATOM 245 N PHE A 73 2.700 -6.248 -6.278 1.00 0.00 N ATOM 246 CA PHE A 73 3.655 -5.183 -6.571 1.00 0.00 C ATOM 247 C PHE A 73 4.923 -5.386 -5.744 1.00 0.00 C ATOM 248 O PHE A 73 6.034 -5.331 -6.271 1.00 0.00 O ATOM 249 CB PHE A 73 3.037 -3.810 -6.256 1.00 0.00 C ATOM 250 CG PHE A 73 2.739 -3.071 -7.543 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.994 -3.695 -8.551 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.206 -1.765 -7.727 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.717 -3.012 -9.742 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.927 -1.081 -8.917 1.00 0.00 C ATOM 255 CZ PHE A 73 2.183 -1.706 -9.924 1.00 0.00 C ATOM 0 H PHE A 73 1.746 -5.933 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 73 3.908 -5.217 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.121 -3.938 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.722 -3.226 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.633 -4.703 -8.410 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.782 -1.284 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.143 -3.494 -10.520 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.286 -0.072 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.969 -1.180 -10.842 1.00 0.00 H new ATOM 265 N LEU A 74 4.745 -5.630 -4.449 1.00 0.00 N ATOM 266 CA LEU A 74 5.884 -5.851 -3.563 1.00 0.00 C ATOM 267 C LEU A 74 6.610 -7.134 -3.949 1.00 0.00 C ATOM 268 O LEU A 74 7.830 -7.145 -4.112 1.00 0.00 O ATOM 269 CB LEU A 74 5.414 -5.951 -2.110 1.00 0.00 C ATOM 270 CG LEU A 74 4.475 -4.788 -1.786 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.117 -4.824 -0.299 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.165 -3.461 -2.112 1.00 0.00 C ATOM 0 H LEU A 74 3.834 -5.679 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 74 6.566 -5.007 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.902 -6.899 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.273 -5.934 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 74 3.568 -4.879 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.448 -3.996 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.622 -5.767 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.026 -4.735 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.493 -2.635 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.074 -3.368 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.420 -3.434 -3.171 1.00 0.00 H new ATOM 284 N SER A 75 5.850 -8.216 -4.096 1.00 0.00 N ATOM 285 CA SER A 75 6.432 -9.501 -4.465 1.00 0.00 C ATOM 286 C SER A 75 7.299 -9.354 -5.710 1.00 0.00 C ATOM 287 O SER A 75 8.276 -10.082 -5.889 1.00 0.00 O ATOM 288 CB SER A 75 5.325 -10.520 -4.729 1.00 0.00 C ATOM 289 OG SER A 75 5.880 -11.828 -4.725 1.00 0.00 O ATOM 0 H SER A 75 4.838 -8.228 -3.966 1.00 0.00 H new ATOM 0 HA SER A 75 7.054 -9.849 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.551 -10.439 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.850 -10.317 -5.689 1.00 0.00 H new ATOM 0 HG SER A 75 5.172 -12.484 -4.893 1.00 0.00 H new ATOM 295 N ARG A 76 6.936 -8.407 -6.569 1.00 0.00 N ATOM 296 CA ARG A 76 7.688 -8.170 -7.795 1.00 0.00 C ATOM 297 C ARG A 76 8.969 -7.401 -7.494 1.00 0.00 C ATOM 298 O ARG A 76 10.041 -7.738 -7.998 1.00 0.00 O ATOM 299 CB ARG A 76 6.832 -7.375 -8.786 1.00 0.00 C ATOM 300 CG ARG A 76 5.499 -8.103 -9.032 1.00 0.00 C ATOM 301 CD ARG A 76 5.446 -8.620 -10.474 1.00 0.00 C ATOM 302 NE ARG A 76 6.651 -9.381 -10.783 1.00 0.00 N ATOM 303 CZ ARG A 76 6.876 -9.843 -12.010 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.012 -9.617 -12.960 1.00 0.00 N ATOM 305 NH2 ARG A 76 7.961 -10.522 -12.262 1.00 0.00 N ATOM 0 H ARG A 76 6.131 -7.795 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 76 7.950 -9.133 -8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.643 -6.375 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.369 -7.254 -9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.394 -8.934 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.665 -7.425 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.566 -9.248 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.350 -7.782 -11.165 1.00 0.00 H new ATOM 0 HE ARG A 76 7.333 -9.562 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.164 -9.086 -12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.184 -9.971 -13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.636 -10.699 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.134 -10.876 -13.203 1.00 0.00 H new ATOM 526 N TYR A 92 9.986 9.093 5.311 1.00 0.00 N ATOM 527 CA TYR A 92 8.949 9.605 4.419 1.00 0.00 C ATOM 528 C TYR A 92 7.565 9.243 4.949 1.00 0.00 C ATOM 529 O TYR A 92 7.176 8.074 4.950 1.00 0.00 O ATOM 530 CB TYR A 92 9.132 9.014 3.014 1.00 0.00 C ATOM 531 CG TYR A 92 10.033 9.908 2.195 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.536 11.105 1.665 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.364 9.542 1.964 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.368 11.934 0.904 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.196 10.370 1.203 1.00 0.00 C ATOM 536 CZ TYR A 92 11.699 11.567 0.672 1.00 0.00 C ATOM 537 OH TYR A 92 12.520 12.384 -0.077 1.00 0.00 O ATOM 0 HA TYR A 92 9.036 10.690 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.562 8.015 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.164 8.911 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.509 11.389 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.749 8.620 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.983 12.857 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.223 10.086 1.025 1.00 0.00 H new ATOM 0 HH TYR A 92 13.416 11.990 -0.127 1.00 0.00 H new ATOM 547 N ASP A 93 6.824 10.252 5.396 1.00 0.00 N ATOM 548 CA ASP A 93 5.481 10.030 5.923 1.00 0.00 C ATOM 549 C ASP A 93 4.439 10.285 4.840 1.00 0.00 C ATOM 550 O ASP A 93 4.031 11.425 4.614 1.00 0.00 O ATOM 551 CB ASP A 93 5.226 10.963 7.109 1.00 0.00 C ATOM 552 CG ASP A 93 3.807 10.764 7.634 1.00 0.00 C ATOM 553 OD1 ASP A 93 3.118 9.905 7.107 1.00 0.00 O ATOM 554 OD2 ASP A 93 3.431 11.473 8.552 1.00 0.00 O ATOM 0 H ASP A 93 7.128 11.226 5.404 1.00 0.00 H new ATOM 0 HA ASP A 93 5.403 8.994 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.947 10.763 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.368 12.000 6.804 1.00 0.00 H new ATOM 559 N LEU A 94 4.013 9.217 4.171 1.00 0.00 N ATOM 560 CA LEU A 94 3.018 9.339 3.110 1.00 0.00 C ATOM 561 C LEU A 94 1.621 9.056 3.653 1.00 0.00 C ATOM 562 O LEU A 94 0.754 8.559 2.936 1.00 0.00 O ATOM 563 CB LEU A 94 3.332 8.359 1.976 1.00 0.00 C ATOM 564 CG LEU A 94 4.838 8.340 1.708 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.143 7.337 0.593 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.297 9.734 1.276 1.00 0.00 C ATOM 0 H LEU A 94 4.338 8.265 4.343 1.00 0.00 H new ATOM 0 HA LEU A 94 3.051 10.359 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.988 7.359 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.796 8.651 1.073 1.00 0.00 H new ATOM 0 HG LEU A 94 5.365 8.048 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.216 7.322 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.815 6.343 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.616 7.630 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.370 9.721 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.770 10.025 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.078 10.451 2.068 1.00 0.00 H new ATOM 578 N SER A 95 1.412 9.369 4.927 1.00 0.00 N ATOM 579 CA SER A 95 0.117 9.139 5.559 1.00 0.00 C ATOM 580 C SER A 95 -0.945 10.063 4.969 1.00 0.00 C ATOM 581 O SER A 95 -2.130 9.933 5.277 1.00 0.00 O ATOM 582 CB SER A 95 0.222 9.378 7.065 1.00 0.00 C ATOM 583 OG SER A 95 -1.076 9.322 7.641 1.00 0.00 O ATOM 0 H SER A 95 2.117 9.780 5.539 1.00 0.00 H new ATOM 0 HA SER A 95 -0.176 8.106 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.867 8.626 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.677 10.349 7.260 1.00 0.00 H new ATOM 0 HG SER A 95 -1.751 9.347 6.931 1.00 0.00 H new ATOM 589 N LYS A 96 -0.515 10.994 4.124 1.00 0.00 N ATOM 590 CA LYS A 96 -1.441 11.937 3.497 1.00 0.00 C ATOM 591 C LYS A 96 -1.650 11.592 2.027 1.00 0.00 C ATOM 592 O LYS A 96 -2.320 12.324 1.298 1.00 0.00 O ATOM 593 CB LYS A 96 -0.889 13.361 3.614 1.00 0.00 C ATOM 594 CG LYS A 96 -0.359 13.588 5.031 1.00 0.00 C ATOM 595 CD LYS A 96 0.043 15.057 5.196 1.00 0.00 C ATOM 596 CE LYS A 96 0.588 15.281 6.608 1.00 0.00 C ATOM 597 NZ LYS A 96 0.652 16.744 6.888 1.00 0.00 N ATOM 0 H LYS A 96 0.462 11.118 3.857 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.400 11.871 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.091 13.514 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.671 14.085 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.122 13.324 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.499 12.942 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.798 15.324 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.817 15.703 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.052 14.787 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.579 14.838 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.022 16.898 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.280 17.203 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.301 17.153 6.815 1.00 0.00 H new ATOM 611 N TRP A 97 -1.074 10.474 1.596 1.00 0.00 N ATOM 612 CA TRP A 97 -1.202 10.041 0.208 1.00 0.00 C ATOM 613 C TRP A 97 -2.324 9.019 0.066 1.00 0.00 C ATOM 614 O TRP A 97 -2.809 8.474 1.058 1.00 0.00 O ATOM 615 CB TRP A 97 0.112 9.418 -0.269 1.00 0.00 C ATOM 616 CG TRP A 97 1.184 10.461 -0.303 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.571 11.214 0.753 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.012 10.878 -1.427 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.587 12.060 0.349 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.893 11.893 -0.985 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.084 10.477 -2.773 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.812 12.489 -1.847 1.00 0.00 C ATOM 623 CZ3 TRP A 97 3.009 11.075 -3.645 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.871 12.080 -3.183 1.00 0.00 C ATOM 0 H TRP A 97 -0.517 9.854 2.184 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.437 10.913 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.403 8.606 0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.019 8.985 -1.261 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.154 11.162 1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.054 12.727 0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.424 9.704 -3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.474 13.262 -1.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.056 10.759 -4.677 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.579 12.537 -3.858 1.00 0.00 H new ATOM 635 N LYS A 98 -2.730 8.761 -1.174 1.00 0.00 N ATOM 636 CA LYS A 98 -3.794 7.797 -1.445 1.00 0.00 C ATOM 637 C LYS A 98 -3.263 6.644 -2.290 1.00 0.00 C ATOM 638 O LYS A 98 -2.296 6.803 -3.035 1.00 0.00 O ATOM 639 CB LYS A 98 -4.947 8.482 -2.182 1.00 0.00 C ATOM 640 CG LYS A 98 -5.313 9.786 -1.468 1.00 0.00 C ATOM 641 CD LYS A 98 -5.813 9.477 -0.053 1.00 0.00 C ATOM 642 CE LYS A 98 -6.600 10.673 0.485 1.00 0.00 C ATOM 643 NZ LYS A 98 -5.915 11.937 0.092 1.00 0.00 N ATOM 0 H LYS A 98 -2.340 9.204 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.155 7.404 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.661 8.689 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.813 7.820 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.444 10.443 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.083 10.315 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.445 8.589 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.970 9.259 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.616 10.660 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.678 10.612 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.229 12.710 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.886 11.817 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.152 12.168 -0.894 1.00 0.00 H new ATOM 657 N TYR A 99 -3.899 5.484 -2.169 1.00 0.00 N ATOM 658 CA TYR A 99 -3.482 4.309 -2.923 1.00 0.00 C ATOM 659 C TYR A 99 -3.173 4.678 -4.373 1.00 0.00 C ATOM 660 O TYR A 99 -2.191 4.206 -4.947 1.00 0.00 O ATOM 661 CB TYR A 99 -4.585 3.246 -2.881 1.00 0.00 C ATOM 662 CG TYR A 99 -4.309 2.173 -3.912 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.098 1.471 -3.885 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.264 1.881 -4.894 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.841 0.479 -4.839 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.009 0.888 -5.847 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.798 0.187 -5.819 1.00 0.00 C ATOM 668 OH TYR A 99 -3.545 -0.791 -6.759 1.00 0.00 O ATOM 0 H TYR A 99 -4.702 5.333 -1.558 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.576 3.910 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.636 2.802 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.554 3.707 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.361 1.695 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.198 2.423 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.906 -0.061 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.746 0.663 -6.603 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.311 -0.869 -7.365 1.00 0.00 H new ATOM 678 N ALA A 100 -4.018 5.520 -4.960 1.00 0.00 N ATOM 679 CA ALA A 100 -3.827 5.941 -6.344 1.00 0.00 C ATOM 680 C ALA A 100 -2.579 6.809 -6.478 1.00 0.00 C ATOM 681 O ALA A 100 -1.836 6.703 -7.455 1.00 0.00 O ATOM 682 CB ALA A 100 -5.049 6.725 -6.823 1.00 0.00 C ATOM 0 H ALA A 100 -4.836 5.922 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.701 5.050 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.899 7.036 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.935 6.093 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.185 7.606 -6.195 1.00 0.00 H new ATOM 688 N GLU A 101 -2.357 7.666 -5.489 1.00 0.00 N ATOM 689 CA GLU A 101 -1.199 8.551 -5.507 1.00 0.00 C ATOM 690 C GLU A 101 0.090 7.749 -5.365 1.00 0.00 C ATOM 691 O GLU A 101 1.050 7.963 -6.104 1.00 0.00 O ATOM 692 CB GLU A 101 -1.300 9.564 -4.364 1.00 0.00 C ATOM 693 CG GLU A 101 -2.596 10.371 -4.504 1.00 0.00 C ATOM 694 CD GLU A 101 -2.397 11.518 -5.489 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.493 11.424 -6.301 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.153 12.473 -5.415 1.00 0.00 O ATOM 0 H GLU A 101 -2.958 7.767 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.182 9.078 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.283 9.047 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.440 10.233 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.402 9.722 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.895 10.764 -3.532 1.00 0.00 H new ATOM 703 N LEU A 102 0.103 6.823 -4.412 1.00 0.00 N ATOM 704 CA LEU A 102 1.279 5.992 -4.181 1.00 0.00 C ATOM 705 C LEU A 102 1.621 5.180 -5.428 1.00 0.00 C ATOM 706 O LEU A 102 2.685 5.358 -6.022 1.00 0.00 O ATOM 707 CB LEU A 102 1.024 5.045 -3.006 1.00 0.00 C ATOM 708 CG LEU A 102 0.690 5.858 -1.751 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.303 4.904 -0.618 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.909 6.688 -1.327 1.00 0.00 C ATOM 0 H LEU A 102 -0.682 6.630 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 102 2.120 6.644 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.202 4.369 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.904 4.427 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.141 6.529 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.065 5.479 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.567 4.319 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.136 4.233 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.665 7.264 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.745 6.023 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.184 7.368 -2.133 1.00 0.00 H new ATOM 722 N ARG A 103 0.716 4.288 -5.819 1.00 0.00 N ATOM 723 CA ARG A 103 0.940 3.458 -6.998 1.00 0.00 C ATOM 724 C ARG A 103 1.342 4.322 -8.189 1.00 0.00 C ATOM 725 O ARG A 103 2.197 3.941 -8.990 1.00 0.00 O ATOM 726 CB ARG A 103 -0.325 2.663 -7.332 1.00 0.00 C ATOM 727 CG ARG A 103 -1.410 3.612 -7.843 1.00 0.00 C ATOM 728 CD ARG A 103 -2.738 2.861 -7.951 1.00 0.00 C ATOM 729 NE ARG A 103 -3.649 3.573 -8.841 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.690 2.960 -9.393 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.914 1.698 -9.142 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.491 3.617 -10.187 1.00 0.00 N ATOM 0 H ARG A 103 -0.171 4.122 -5.343 1.00 0.00 H new ATOM 0 HA ARG A 103 1.750 2.761 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.103 1.908 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.678 2.134 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.514 4.460 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.127 4.014 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.564 1.853 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.188 2.760 -6.963 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.483 4.559 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.289 1.183 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.714 1.228 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.318 4.603 -10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.290 3.145 -10.610 1.00 0.00 H new ATOM 746 N ASP A 104 0.719 5.490 -8.300 1.00 0.00 N ATOM 747 CA ASP A 104 1.023 6.400 -9.395 1.00 0.00 C ATOM 748 C ASP A 104 2.465 6.888 -9.298 1.00 0.00 C ATOM 749 O ASP A 104 3.224 6.816 -10.264 1.00 0.00 O ATOM 750 CB ASP A 104 0.074 7.596 -9.358 1.00 0.00 C ATOM 751 CG ASP A 104 0.482 8.623 -10.407 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.365 8.319 -11.583 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.906 9.700 -10.022 1.00 0.00 O ATOM 0 H ASP A 104 0.007 5.826 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 104 0.894 5.865 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.948 7.264 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.089 8.051 -8.368 1.00 0.00 H new ATOM 758 N THR A 105 2.833 7.386 -8.123 1.00 0.00 N ATOM 759 CA THR A 105 4.185 7.887 -7.908 1.00 0.00 C ATOM 760 C THR A 105 5.218 6.866 -8.375 1.00 0.00 C ATOM 761 O THR A 105 6.038 7.157 -9.246 1.00 0.00 O ATOM 762 CB THR A 105 4.400 8.193 -6.423 1.00 0.00 C ATOM 763 OG1 THR A 105 3.222 8.780 -5.888 1.00 0.00 O ATOM 764 CG2 THR A 105 5.573 9.162 -6.261 1.00 0.00 C ATOM 0 H THR A 105 2.220 7.453 -7.311 1.00 0.00 H new ATOM 0 HA THR A 105 4.309 8.801 -8.488 1.00 0.00 H new ATOM 0 HB THR A 105 4.622 7.268 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.592 8.074 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.723 9.378 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.477 8.711 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.356 10.088 -6.793 1.00 0.00 H new ATOM 772 N ILE A 106 5.179 5.673 -7.791 1.00 0.00 N ATOM 773 CA ILE A 106 6.127 4.629 -8.161 1.00 0.00 C ATOM 774 C ILE A 106 6.015 4.294 -9.644 1.00 0.00 C ATOM 775 O ILE A 106 6.996 3.900 -10.274 1.00 0.00 O ATOM 776 CB ILE A 106 5.882 3.373 -7.327 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.486 2.827 -7.618 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.987 3.722 -5.842 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.222 1.620 -6.719 1.00 0.00 C ATOM 0 H ILE A 106 4.510 5.407 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 106 7.133 5.000 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 106 6.627 2.619 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.736 3.598 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.406 2.539 -8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.812 2.827 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.982 4.112 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.241 4.476 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.226 1.226 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.966 0.848 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.286 1.924 -5.674 1.00 0.00 H new ATOM 791 N ASN A 107 4.818 4.449 -10.198 1.00 0.00 N ATOM 792 CA ASN A 107 4.608 4.153 -11.609 1.00 0.00 C ATOM 793 C ASN A 107 5.330 5.171 -12.492 1.00 0.00 C ATOM 794 O ASN A 107 5.737 4.853 -13.609 1.00 0.00 O ATOM 795 CB ASN A 107 3.108 4.169 -11.921 1.00 0.00 C ATOM 796 CG ASN A 107 2.551 2.747 -11.927 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.041 1.892 -12.665 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.551 2.445 -11.145 1.00 0.00 N ATOM 0 H ASN A 107 3.989 4.773 -9.700 1.00 0.00 H new ATOM 0 HA ASN A 107 5.016 3.164 -11.820 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.582 4.769 -11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.936 4.638 -12.890 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.173 1.498 -11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.148 3.156 -10.535 1.00 0.00 H new ATOM 805 N THR A 108 5.486 6.393 -11.986 1.00 0.00 N ATOM 806 CA THR A 108 6.160 7.445 -12.748 1.00 0.00 C ATOM 807 C THR A 108 7.184 8.178 -11.886 1.00 0.00 C ATOM 808 O THR A 108 7.270 9.406 -11.918 1.00 0.00 O ATOM 809 CB THR A 108 5.132 8.448 -13.283 1.00 0.00 C ATOM 810 OG1 THR A 108 5.810 9.592 -13.781 1.00 0.00 O ATOM 811 CG2 THR A 108 4.180 8.867 -12.160 1.00 0.00 C ATOM 0 H THR A 108 5.160 6.678 -11.063 1.00 0.00 H new ATOM 0 HA THR A 108 6.681 6.974 -13.582 1.00 0.00 H new ATOM 0 HB THR A 108 4.556 7.983 -14.084 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.262 10.051 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.452 9.580 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.660 7.989 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.749 9.331 -11.355 1.00 0.00 H new ATOM 819 N SER A 109 7.966 7.419 -11.121 1.00 0.00 N ATOM 820 CA SER A 109 8.991 8.010 -10.260 1.00 0.00 C ATOM 821 C SER A 109 10.341 7.342 -10.501 1.00 0.00 C ATOM 822 O SER A 109 10.439 6.369 -11.249 1.00 0.00 O ATOM 823 CB SER A 109 8.599 7.851 -8.791 1.00 0.00 C ATOM 824 OG SER A 109 9.721 8.154 -7.972 1.00 0.00 O ATOM 0 H SER A 109 7.911 6.401 -11.079 1.00 0.00 H new ATOM 0 HA SER A 109 9.072 9.070 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.768 8.514 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.259 6.833 -8.601 1.00 0.00 H new ATOM 0 HG SER A 109 9.474 8.055 -7.029 1.00 0.00 H new ATOM 830 N CYS A 110 11.379 7.873 -9.862 1.00 0.00 N ATOM 831 CA CYS A 110 12.723 7.322 -10.013 1.00 0.00 C ATOM 832 C CYS A 110 13.549 7.572 -8.756 1.00 0.00 C ATOM 833 O CYS A 110 14.779 7.611 -8.806 1.00 0.00 O ATOM 834 CB CYS A 110 13.415 7.963 -11.217 1.00 0.00 C ATOM 835 SG CYS A 110 14.862 6.976 -11.676 1.00 0.00 S ATOM 0 H CYS A 110 11.317 8.678 -9.239 1.00 0.00 H new ATOM 0 HA CYS A 110 12.640 6.247 -10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.723 8.026 -12.057 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.718 8.982 -10.976 1.00 0.00 H new ATOM 0 HG CYS A 110 15.444 6.533 -10.601 1.00 0.00 H new ATOM 841 N ASP A 111 12.865 7.737 -7.627 1.00 0.00 N ATOM 842 CA ASP A 111 13.545 7.981 -6.355 1.00 0.00 C ATOM 843 C ASP A 111 13.548 6.709 -5.510 1.00 0.00 C ATOM 844 O ASP A 111 12.493 6.189 -5.155 1.00 0.00 O ATOM 845 CB ASP A 111 12.840 9.113 -5.598 1.00 0.00 C ATOM 846 CG ASP A 111 13.470 10.457 -5.954 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.113 11.001 -6.986 1.00 0.00 O ATOM 848 OD2 ASP A 111 14.299 10.922 -5.189 1.00 0.00 O ATOM 0 H ASP A 111 11.847 7.707 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 111 14.576 8.273 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.779 9.123 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.912 8.942 -4.524 1.00 0.00 H new ATOM 853 N ILE A 112 14.735 6.211 -5.198 1.00 0.00 N ATOM 854 CA ILE A 112 14.857 4.995 -4.402 1.00 0.00 C ATOM 855 C ILE A 112 14.138 5.142 -3.065 1.00 0.00 C ATOM 856 O ILE A 112 13.174 4.430 -2.788 1.00 0.00 O ATOM 857 CB ILE A 112 16.335 4.680 -4.156 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.074 4.577 -5.502 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.455 3.360 -3.391 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.942 3.161 -6.074 1.00 0.00 C ATOM 0 H ILE A 112 15.623 6.625 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 112 14.394 4.178 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 112 16.784 5.479 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.664 5.301 -6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.127 4.825 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.507 3.135 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.938 3.445 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.005 2.558 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.469 3.103 -7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.374 2.445 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.888 2.928 -6.228 1.00 0.00 H new ATOM 872 N GLU A 113 14.615 6.065 -2.237 1.00 0.00 N ATOM 873 CA GLU A 113 14.011 6.287 -0.928 1.00 0.00 C ATOM 874 C GLU A 113 12.491 6.371 -1.042 1.00 0.00 C ATOM 875 O GLU A 113 11.765 5.748 -0.267 1.00 0.00 O ATOM 876 CB GLU A 113 14.556 7.577 -0.309 1.00 0.00 C ATOM 877 CG GLU A 113 14.676 8.658 -1.385 1.00 0.00 C ATOM 878 CD GLU A 113 15.160 9.963 -0.761 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.190 9.938 -0.106 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.492 10.968 -0.945 1.00 0.00 O ATOM 0 H GLU A 113 15.411 6.667 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 113 14.266 5.444 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.895 7.916 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.530 7.391 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.372 8.336 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.711 8.812 -1.867 1.00 0.00 H new ATOM 887 N LEU A 114 12.016 7.144 -2.012 1.00 0.00 N ATOM 888 CA LEU A 114 10.580 7.302 -2.217 1.00 0.00 C ATOM 889 C LEU A 114 9.947 5.950 -2.538 1.00 0.00 C ATOM 890 O LEU A 114 9.101 5.455 -1.791 1.00 0.00 O ATOM 891 CB LEU A 114 10.338 8.294 -3.366 1.00 0.00 C ATOM 892 CG LEU A 114 8.839 8.610 -3.537 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.099 7.392 -4.103 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.221 9.009 -2.189 1.00 0.00 C ATOM 0 H LEU A 114 12.599 7.668 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 114 10.121 7.690 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.885 9.217 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.731 7.879 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 114 8.741 9.442 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.042 7.630 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.520 7.129 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.209 6.550 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.162 9.229 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.333 8.188 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.729 9.893 -1.803 1.00 0.00 H new ATOM 906 N LEU A 115 10.367 5.357 -3.649 1.00 0.00 N ATOM 907 CA LEU A 115 9.844 4.057 -4.064 1.00 0.00 C ATOM 908 C LEU A 115 9.689 3.140 -2.854 1.00 0.00 C ATOM 909 O LEU A 115 8.677 2.454 -2.706 1.00 0.00 O ATOM 910 CB LEU A 115 10.807 3.413 -5.079 1.00 0.00 C ATOM 911 CG LEU A 115 10.387 3.723 -6.528 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.261 2.779 -6.955 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.916 5.181 -6.656 1.00 0.00 C ATOM 0 H LEU A 115 11.066 5.752 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 115 8.868 4.200 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.819 3.779 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.829 2.334 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 115 11.250 3.577 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.968 3.003 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.608 1.748 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.404 2.913 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.624 5.380 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.063 5.347 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.727 5.852 -6.373 1.00 0.00 H new ATOM 925 N ALA A 116 10.700 3.134 -1.991 1.00 0.00 N ATOM 926 CA ALA A 116 10.672 2.298 -0.797 1.00 0.00 C ATOM 927 C ALA A 116 9.538 2.723 0.129 1.00 0.00 C ATOM 928 O ALA A 116 8.813 1.886 0.665 1.00 0.00 O ATOM 929 CB ALA A 116 12.005 2.406 -0.055 1.00 0.00 C ATOM 0 H ALA A 116 11.545 3.696 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 116 10.508 1.265 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.977 1.779 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.813 2.074 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.177 3.442 0.236 1.00 0.00 H new ATOM 935 N ALA A 117 9.393 4.031 0.315 1.00 0.00 N ATOM 936 CA ALA A 117 8.345 4.558 1.181 1.00 0.00 C ATOM 937 C ALA A 117 6.980 4.018 0.764 1.00 0.00 C ATOM 938 O ALA A 117 6.249 3.456 1.580 1.00 0.00 O ATOM 939 CB ALA A 117 8.334 6.085 1.115 1.00 0.00 C ATOM 0 H ALA A 117 9.983 4.741 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 117 8.550 4.239 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.549 6.472 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.299 6.470 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.146 6.404 0.090 1.00 0.00 H new ATOM 945 N CYS A 118 6.642 4.191 -0.509 1.00 0.00 N ATOM 946 CA CYS A 118 5.360 3.714 -1.021 1.00 0.00 C ATOM 947 C CYS A 118 5.205 2.217 -0.773 1.00 0.00 C ATOM 948 O CYS A 118 4.260 1.780 -0.112 1.00 0.00 O ATOM 949 CB CYS A 118 5.258 3.994 -2.521 1.00 0.00 C ATOM 950 SG CYS A 118 5.349 5.775 -2.811 1.00 0.00 S ATOM 0 H CYS A 118 7.231 4.654 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 118 4.564 4.243 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.064 3.487 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.321 3.599 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 118 5.054 6.028 -4.052 1.00 0.00 H new ATOM 956 N ARG A 119 6.135 1.434 -1.310 1.00 0.00 N ATOM 957 CA ARG A 119 6.089 -0.013 -1.143 1.00 0.00 C ATOM 958 C ARG A 119 5.810 -0.374 0.314 1.00 0.00 C ATOM 959 O ARG A 119 4.996 -1.251 0.600 1.00 0.00 O ATOM 960 CB ARG A 119 7.420 -0.631 -1.584 1.00 0.00 C ATOM 961 CG ARG A 119 7.421 -0.822 -3.104 1.00 0.00 C ATOM 962 CD ARG A 119 8.851 -1.059 -3.590 1.00 0.00 C ATOM 963 NE ARG A 119 8.878 -1.176 -5.042 1.00 0.00 N ATOM 964 CZ ARG A 119 10.001 -0.985 -5.727 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.105 -0.685 -5.101 1.00 0.00 N ATOM 966 NH2 ARG A 119 9.998 -1.097 -7.028 1.00 0.00 N ATOM 0 H ARG A 119 6.924 1.774 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 119 5.284 -0.409 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.247 0.014 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.570 -1.590 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.789 -1.668 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.002 0.058 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.491 -0.236 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.251 -1.967 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 119 8.020 -1.409 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.107 -0.597 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.966 -0.539 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.134 -1.331 -7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.859 -0.951 -7.554 1.00 0.00 H new ATOM 980 N GLU A 120 6.487 0.311 1.230 1.00 0.00 N ATOM 981 CA GLU A 120 6.296 0.050 2.652 1.00 0.00 C ATOM 982 C GLU A 120 4.850 0.320 3.051 1.00 0.00 C ATOM 983 O GLU A 120 4.213 -0.503 3.708 1.00 0.00 O ATOM 984 CB GLU A 120 7.234 0.933 3.479 1.00 0.00 C ATOM 985 CG GLU A 120 8.670 0.423 3.345 1.00 0.00 C ATOM 986 CD GLU A 120 8.852 -0.842 4.177 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.936 -0.725 5.388 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.907 -1.910 3.590 1.00 0.00 O ATOM 0 H GLU A 120 7.165 1.043 1.017 1.00 0.00 H new ATOM 0 HA GLU A 120 6.526 -0.998 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.171 1.967 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.930 0.923 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.895 0.216 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.370 1.190 3.676 1.00 0.00 H new ATOM 995 N GLU A 121 4.335 1.479 2.648 1.00 0.00 N ATOM 996 CA GLU A 121 2.959 1.841 2.967 1.00 0.00 C ATOM 997 C GLU A 121 2.019 0.690 2.625 1.00 0.00 C ATOM 998 O GLU A 121 1.144 0.333 3.415 1.00 0.00 O ATOM 999 CB GLU A 121 2.552 3.098 2.181 1.00 0.00 C ATOM 1000 CG GLU A 121 2.521 4.310 3.117 1.00 0.00 C ATOM 1001 CD GLU A 121 3.904 4.544 3.715 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.826 4.778 2.953 1.00 0.00 O ATOM 1003 OE2 GLU A 121 4.021 4.484 4.928 1.00 0.00 O ATOM 0 H GLU A 121 4.845 2.176 2.105 1.00 0.00 H new ATOM 0 HA GLU A 121 2.889 2.048 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.257 3.273 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.572 2.952 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.199 5.195 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.795 4.146 3.913 1.00 0.00 H new ATOM 1010 N PHE A 122 2.212 0.109 1.444 1.00 0.00 N ATOM 1011 CA PHE A 122 1.379 -1.005 1.008 1.00 0.00 C ATOM 1012 C PHE A 122 1.523 -2.186 1.965 1.00 0.00 C ATOM 1013 O PHE A 122 0.532 -2.729 2.450 1.00 0.00 O ATOM 1014 CB PHE A 122 1.785 -1.455 -0.399 1.00 0.00 C ATOM 1015 CG PHE A 122 1.620 -0.333 -1.407 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.630 0.652 -1.243 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.463 -0.289 -2.522 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.493 1.670 -2.196 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.322 0.727 -3.472 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.338 1.708 -3.310 1.00 0.00 C ATOM 0 H PHE A 122 2.932 0.389 0.778 1.00 0.00 H new ATOM 0 HA PHE A 122 0.343 -0.668 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.822 -1.789 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.177 -2.309 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.024 0.624 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.226 -1.043 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.267 2.427 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.974 0.755 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.231 2.493 -4.044 1.00 0.00 H new ATOM 1030 N HIS A 123 2.761 -2.582 2.225 1.00 0.00 N ATOM 1031 CA HIS A 123 3.027 -3.703 3.120 1.00 0.00 C ATOM 1032 C HIS A 123 2.272 -3.547 4.436 1.00 0.00 C ATOM 1033 O HIS A 123 1.591 -4.469 4.887 1.00 0.00 O ATOM 1034 CB HIS A 123 4.526 -3.790 3.404 1.00 0.00 C ATOM 1035 CG HIS A 123 4.793 -4.910 4.371 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.291 -6.189 4.180 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.509 -4.960 5.542 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.707 -6.945 5.212 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.453 -6.245 6.071 1.00 0.00 N ATOM 0 H HIS A 123 3.595 -2.147 1.831 1.00 0.00 H new ATOM 0 HA HIS A 123 2.686 -4.616 2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.073 -3.959 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.883 -2.847 3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.036 -4.128 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.467 -7.991 5.332 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.888 -6.581 6.930 1.00 0.00 H new ATOM 1047 N ARG A 124 2.410 -2.380 5.055 1.00 0.00 N ATOM 1048 CA ARG A 124 1.753 -2.115 6.330 1.00 0.00 C ATOM 1049 C ARG A 124 0.233 -2.213 6.208 1.00 0.00 C ATOM 1050 O ARG A 124 -0.389 -3.112 6.775 1.00 0.00 O ATOM 1051 CB ARG A 124 2.134 -0.720 6.831 1.00 0.00 C ATOM 1052 CG ARG A 124 3.579 -0.737 7.336 1.00 0.00 C ATOM 1053 CD ARG A 124 3.975 0.667 7.794 1.00 0.00 C ATOM 1054 NE ARG A 124 3.022 1.163 8.779 1.00 0.00 N ATOM 1055 CZ ARG A 124 3.338 2.160 9.601 1.00 0.00 C ATOM 1056 NH1 ARG A 124 4.519 2.711 9.533 1.00 0.00 N ATOM 1057 NH2 ARG A 124 2.467 2.587 10.474 1.00 0.00 N ATOM 0 H ARG A 124 2.968 -1.605 4.697 1.00 0.00 H new ATOM 0 HA ARG A 124 2.088 -2.870 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.027 0.009 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.461 -0.413 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.679 -1.442 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.248 -1.075 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.977 0.648 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.008 1.341 6.938 1.00 0.00 H new ATOM 0 HE ARG A 124 2.097 0.738 8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.199 2.377 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.762 3.476 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.544 2.156 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.709 3.351 11.104 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.365 -1.276 5.482 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.815 -1.273 5.324 1.00 0.00 C ATOM 1073 C ARG A 125 -2.325 -2.644 4.888 1.00 0.00 C ATOM 1074 O ARG A 125 -3.503 -2.957 5.064 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.240 -0.202 4.313 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.961 -0.686 2.890 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.076 0.496 1.924 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.148 1.552 2.314 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.410 2.831 2.058 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.509 3.162 1.436 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.567 3.752 2.430 1.00 0.00 N ATOM 0 H ARG A 125 0.122 -0.520 5.000 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.258 -1.040 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.301 0.019 4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.699 0.725 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.964 -1.124 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.669 -1.467 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.860 0.168 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.097 0.879 1.925 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.282 1.305 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.168 2.440 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.709 4.143 1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.291 3.492 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.765 4.733 2.235 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.440 -3.466 4.325 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.844 -4.798 3.885 1.00 0.00 C ATOM 1097 C LEU A 126 -1.982 -5.736 5.081 1.00 0.00 C ATOM 1098 O LEU A 126 -3.089 -6.140 5.435 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.827 -5.379 2.887 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.306 -5.151 1.446 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -0.254 -5.687 0.479 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -2.631 -5.891 1.203 1.00 0.00 C ATOM 0 H LEU A 126 -0.459 -3.239 4.166 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.810 -4.707 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.146 -4.909 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.696 -6.446 3.070 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.457 -4.083 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.588 -5.528 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.688 -5.163 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.110 -6.753 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.960 -5.721 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.486 -6.959 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.388 -5.518 1.893 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.857 -6.083 5.703 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.893 -6.978 6.854 1.00 0.00 C ATOM 1116 C LYS A 127 -2.013 -6.566 7.805 1.00 0.00 C ATOM 1117 O LYS A 127 -2.616 -7.406 8.473 1.00 0.00 O ATOM 1118 CB LYS A 127 0.462 -6.976 7.580 1.00 0.00 C ATOM 1119 CG LYS A 127 0.624 -5.702 8.425 1.00 0.00 C ATOM 1120 CD LYS A 127 0.255 -5.989 9.888 1.00 0.00 C ATOM 1121 CE LYS A 127 1.461 -6.585 10.618 1.00 0.00 C ATOM 1122 NZ LYS A 127 1.002 -7.252 11.870 1.00 0.00 N ATOM 0 H LYS A 127 0.074 -5.764 5.435 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.090 -7.991 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.539 -7.855 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.270 -7.041 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.652 -5.344 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.013 -4.911 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.062 -5.069 10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.587 -6.680 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.970 -7.304 9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.181 -5.801 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.820 -7.658 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.535 -6.554 12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.330 -8.010 11.633 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.297 -5.266 7.845 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.360 -4.756 8.703 1.00 0.00 C ATOM 1138 C VAL A 128 -4.720 -5.062 8.084 1.00 0.00 C ATOM 1139 O VAL A 128 -5.663 -5.438 8.781 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.207 -3.245 8.888 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.408 -2.701 9.667 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -1.924 -2.950 9.668 1.00 0.00 C ATOM 0 H VAL A 128 -1.811 -4.555 7.299 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.290 -5.243 9.676 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.157 -2.766 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.299 -1.625 9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.324 -2.908 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.457 -3.183 10.643 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.817 -1.873 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.973 -3.431 10.645 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.066 -3.336 9.117 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.808 -4.902 6.767 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.050 -5.167 6.050 1.00 0.00 C ATOM 1154 C TYR A 129 -6.392 -6.655 6.116 1.00 0.00 C ATOM 1155 O TYR A 129 -7.561 -7.029 6.194 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.907 -4.713 4.588 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.641 -5.659 3.663 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.037 -5.752 3.722 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -5.925 -6.444 2.747 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -8.717 -6.627 2.868 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -6.607 -7.321 1.895 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.003 -7.411 1.954 1.00 0.00 C ATOM 1163 OH TYR A 129 -8.674 -8.273 1.112 1.00 0.00 O ATOM 0 H TYR A 129 -4.037 -4.591 6.177 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.861 -4.608 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -6.303 -3.704 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.852 -4.674 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.589 -5.148 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -4.848 -6.372 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -9.794 -6.698 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.056 -7.928 1.192 1.00 0.00 H new ATOM 0 HH TYR A 129 -8.039 -8.681 0.487 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.364 -7.496 6.086 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.568 -8.939 6.144 1.00 0.00 C ATOM 1175 C HIS A 130 -5.920 -9.373 7.563 1.00 0.00 C ATOM 1176 O HIS A 130 -6.755 -10.254 7.764 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.302 -9.665 5.687 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.139 -9.510 4.201 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.916 -10.212 3.294 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.291 -8.737 3.446 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.524 -9.853 2.057 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.536 -8.956 2.094 1.00 0.00 N ATOM 0 H HIS A 130 -4.388 -7.207 6.022 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.394 -9.197 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.432 -9.259 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.363 -10.722 5.948 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.652 -10.880 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.547 -8.062 3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.956 -10.243 1.147 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.279 -8.746 8.544 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.535 -9.076 9.942 1.00 0.00 C ATOM 1192 C ALA A 131 -6.957 -8.683 10.327 1.00 0.00 C ATOM 1193 O ALA A 131 -7.701 -9.481 10.896 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.539 -8.345 10.843 1.00 0.00 C ATOM 0 H ALA A 131 -4.585 -8.013 8.400 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.417 -10.152 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.738 -8.597 11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.524 -8.647 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.644 -7.269 10.704 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.327 -7.448 10.007 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.664 -6.955 10.317 1.00 0.00 C ATOM 1202 C TRP A 132 -9.716 -7.757 9.553 1.00 0.00 C ATOM 1203 O TRP A 132 -10.741 -8.146 10.112 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.760 -5.466 9.954 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.176 -5.100 9.639 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.104 -4.725 10.548 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.834 -5.066 8.341 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.293 -4.463 9.891 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.177 -4.659 8.528 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.401 -5.348 7.034 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.059 -4.535 7.454 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.287 -5.224 5.950 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.613 -4.818 6.160 1.00 0.00 C ATOM 0 H TRP A 132 -6.724 -6.773 9.536 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.850 -7.075 11.384 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.396 -4.858 10.782 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.122 -5.252 9.097 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.943 -4.643 11.613 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.150 -4.162 10.356 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.382 -5.662 6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.079 -4.223 7.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -10.945 -5.443 4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.289 -4.724 5.323 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.453 -8.002 8.273 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.381 -8.760 7.443 1.00 0.00 C ATOM 1226 C LYS A 133 -10.503 -10.192 7.953 1.00 0.00 C ATOM 1227 O LYS A 133 -11.601 -10.744 8.026 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.892 -8.769 5.990 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.943 -9.427 5.085 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.989 -8.388 4.655 1.00 0.00 C ATOM 1231 CE LYS A 133 -13.338 -9.075 4.440 1.00 0.00 C ATOM 1232 NZ LYS A 133 -14.264 -8.145 3.733 1.00 0.00 N ATOM 0 H LYS A 133 -8.610 -7.689 7.791 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.361 -8.285 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.700 -7.749 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.949 -9.311 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.461 -9.856 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.429 -10.247 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -12.081 -7.614 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.670 -7.895 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -13.205 -9.986 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.764 -9.370 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -15.181 -8.613 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -14.400 -7.288 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.858 -7.885 2.812 1.00 0.00 H new ATOM 1246 N SER A 134 -9.370 -10.789 8.303 1.00 0.00 N ATOM 1247 CA SER A 134 -9.360 -12.158 8.803 1.00 0.00 C ATOM 1248 C SER A 134 -10.138 -12.251 10.110 1.00 0.00 C ATOM 1249 O SER A 134 -10.773 -13.265 10.397 1.00 0.00 O ATOM 1250 CB SER A 134 -7.921 -12.621 9.030 1.00 0.00 C ATOM 1251 OG SER A 134 -7.924 -13.983 9.434 1.00 0.00 O ATOM 0 H SER A 134 -8.451 -10.349 8.250 1.00 0.00 H new ATOM 0 HA SER A 134 -9.834 -12.801 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.340 -12.502 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.445 -12.005 9.792 1.00 0.00 H new ATOM 0 HG SER A 134 -7.002 -14.283 9.579 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.080 -11.185 10.898 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.781 -11.148 12.176 1.00 0.00 C ATOM 1259 C LYS A 135 -12.247 -10.781 11.972 1.00 0.00 C ATOM 1260 O LYS A 135 -13.112 -11.178 12.754 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.116 -10.122 13.098 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.862 -10.734 13.731 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.224 -9.728 14.696 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.342 -8.749 13.916 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.622 -7.859 14.873 1.00 0.00 N ATOM 0 H LYS A 135 -9.557 -10.338 10.676 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.729 -12.137 12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.851 -9.229 12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.814 -9.812 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.122 -11.649 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.149 -11.009 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.000 -9.183 15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.628 -10.254 15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.626 -9.297 13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.953 -8.153 13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.023 -7.194 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.313 -7.327 15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.028 -8.435 15.503 1.00 0.00 H new