USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 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 180:sc= 0.198 USER MOD Single : A 65 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 66 MET CE :methyl 133:sc= -0.694 (180deg=-1.98!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.49 (180deg=-0.755) 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 -157:sc= 1.2 USER MOD Single : A 95 SER OG : rot -30:sc= 0.475 USER MOD Single : A 96 LYS NZ :NH3+ -126:sc= -0.0958 (180deg=-0.246) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.43) USER MOD Single : A 99 TYR OH : rot 171:sc= 0.623 USER MOD Single : A 105 THR OG1 : rot 92:sc= 0.79 USER MOD Single : A 107 ASN : amide:sc= 0.0968 X(o=0.097,f=-0.3) USER MOD Single : A 108 THR OG1 : rot -54:sc= 0.831 USER MOD Single : A 109 SER OG : rot 75:sc= -0.425! USER MOD Single : A 110 CYS SG : rot -49:sc= -0.248 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.0221 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 127 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0149) USER MOD Single : A 129 TYR OH : rot 80:sc= -0.579 USER MOD Single : A 130 HIS : no HE2:sc= -0.79 X(o=-0.79,f=-1.1) USER MOD Single : A 133 LYS NZ :NH3+ 159:sc= -0.123 (180deg=-0.975) 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 -12.268 -2.060 -4.978 1.00 0.00 N ATOM 79 CA THR A 62 -12.523 -3.037 -3.921 1.00 0.00 C ATOM 80 C THR A 62 -11.257 -3.268 -3.098 1.00 0.00 C ATOM 81 O THR A 62 -10.148 -3.192 -3.626 1.00 0.00 O ATOM 82 CB THR A 62 -12.980 -4.361 -4.542 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.840 -5.135 -4.889 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.809 -4.081 -5.796 1.00 0.00 C ATOM 0 HA THR A 62 -13.305 -2.652 -3.267 1.00 0.00 H new ATOM 0 HB THR A 62 -13.589 -4.909 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.129 -5.983 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.133 -5.024 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.682 -3.486 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.203 -3.533 -6.518 1.00 0.00 H new ATOM 92 N PRO A 63 -11.396 -3.548 -1.824 1.00 0.00 N ATOM 93 CA PRO A 63 -10.227 -3.789 -0.925 1.00 0.00 C ATOM 94 C PRO A 63 -9.409 -5.002 -1.366 1.00 0.00 C ATOM 95 O PRO A 63 -8.182 -5.006 -1.265 1.00 0.00 O ATOM 96 CB PRO A 63 -10.854 -4.015 0.459 1.00 0.00 C ATOM 97 CG PRO A 63 -12.285 -4.360 0.202 1.00 0.00 C ATOM 98 CD PRO A 63 -12.673 -3.669 -1.103 1.00 0.00 C ATOM 0 HA PRO A 63 -9.526 -2.955 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.347 -4.819 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.771 -3.121 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.415 -5.439 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.918 -4.022 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.398 -4.256 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.125 -2.694 -0.921 1.00 0.00 H new ATOM 106 N GLU A 64 -10.097 -6.026 -1.858 1.00 0.00 N ATOM 107 CA GLU A 64 -9.420 -7.234 -2.315 1.00 0.00 C ATOM 108 C GLU A 64 -8.634 -6.950 -3.588 1.00 0.00 C ATOM 109 O GLU A 64 -7.524 -7.452 -3.770 1.00 0.00 O ATOM 110 CB GLU A 64 -10.444 -8.340 -2.580 1.00 0.00 C ATOM 111 CG GLU A 64 -9.720 -9.603 -3.050 1.00 0.00 C ATOM 112 CD GLU A 64 -10.697 -10.774 -3.103 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.017 -11.301 -2.050 1.00 0.00 O ATOM 114 OE2 GLU A 64 -11.110 -11.126 -4.195 1.00 0.00 O ATOM 0 H GLU A 64 -11.113 -6.045 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.730 -7.561 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.012 -8.549 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.159 -8.015 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.284 -9.437 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.898 -9.835 -2.373 1.00 0.00 H new ATOM 121 N GLN A 65 -9.216 -6.140 -4.466 1.00 0.00 N ATOM 122 CA GLN A 65 -8.561 -5.791 -5.720 1.00 0.00 C ATOM 123 C GLN A 65 -7.263 -5.037 -5.455 1.00 0.00 C ATOM 124 O GLN A 65 -6.197 -5.429 -5.929 1.00 0.00 O ATOM 125 CB GLN A 65 -9.492 -4.925 -6.571 1.00 0.00 C ATOM 126 CG GLN A 65 -8.767 -4.500 -7.850 1.00 0.00 C ATOM 127 CD GLN A 65 -9.769 -3.938 -8.852 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.667 -4.204 -10.049 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.737 -3.170 -8.432 1.00 0.00 N ATOM 0 H GLN A 65 -10.134 -5.716 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.330 -6.711 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.396 -5.481 -6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.804 -4.045 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.012 -3.749 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.246 -5.353 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.820 -2.951 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.411 -2.789 -9.096 1.00 0.00 H new ATOM 138 N MET A 66 -7.358 -3.951 -4.691 1.00 0.00 N ATOM 139 CA MET A 66 -6.181 -3.152 -4.372 1.00 0.00 C ATOM 140 C MET A 66 -5.146 -3.994 -3.632 1.00 0.00 C ATOM 141 O MET A 66 -3.944 -3.847 -3.849 1.00 0.00 O ATOM 142 CB MET A 66 -6.580 -1.950 -3.510 1.00 0.00 C ATOM 143 CG MET A 66 -7.269 -2.435 -2.237 1.00 0.00 C ATOM 144 SD MET A 66 -7.775 -1.008 -1.241 1.00 0.00 S ATOM 145 CE MET A 66 -8.972 -0.314 -2.409 1.00 0.00 C ATOM 0 H MET A 66 -8.229 -3.608 -4.286 1.00 0.00 H new ATOM 0 HA MET A 66 -5.743 -2.797 -5.305 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.697 -1.363 -3.256 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.248 -1.295 -4.069 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.138 -3.042 -2.490 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.593 -3.070 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.893 -0.066 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.558 0.587 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.186 -1.045 -3.188 1.00 0.00 H new ATOM 155 N ALA A 67 -5.621 -4.880 -2.761 1.00 0.00 N ATOM 156 CA ALA A 67 -4.724 -5.740 -1.997 1.00 0.00 C ATOM 157 C ALA A 67 -3.922 -6.636 -2.932 1.00 0.00 C ATOM 158 O ALA A 67 -2.734 -6.872 -2.714 1.00 0.00 O ATOM 159 CB ALA A 67 -5.532 -6.604 -1.026 1.00 0.00 C ATOM 0 H ALA A 67 -6.613 -5.020 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.035 -5.110 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.856 -7.244 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.084 -5.961 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.232 -7.223 -1.586 1.00 0.00 H new ATOM 165 N LYS A 68 -4.580 -7.129 -3.974 1.00 0.00 N ATOM 166 CA LYS A 68 -3.922 -7.996 -4.941 1.00 0.00 C ATOM 167 C LYS A 68 -2.870 -7.220 -5.727 1.00 0.00 C ATOM 168 O LYS A 68 -1.752 -7.695 -5.924 1.00 0.00 O ATOM 169 CB LYS A 68 -4.959 -8.578 -5.906 1.00 0.00 C ATOM 170 CG LYS A 68 -5.716 -9.720 -5.220 1.00 0.00 C ATOM 171 CD LYS A 68 -6.803 -10.257 -6.159 1.00 0.00 C ATOM 172 CE LYS A 68 -6.186 -11.234 -7.166 1.00 0.00 C ATOM 173 NZ LYS A 68 -7.272 -11.883 -7.954 1.00 0.00 N ATOM 0 H LYS A 68 -5.564 -6.944 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.430 -8.806 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.657 -7.801 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.467 -8.944 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.024 -10.519 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.166 -9.366 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.580 -10.759 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.281 -9.431 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.504 -10.705 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.599 -11.990 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.856 -12.546 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.905 -12.400 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.814 -11.156 -8.463 1.00 0.00 H new ATOM 187 N GLU A 69 -3.240 -6.026 -6.179 1.00 0.00 N ATOM 188 CA GLU A 69 -2.325 -5.188 -6.947 1.00 0.00 C ATOM 189 C GLU A 69 -1.150 -4.736 -6.086 1.00 0.00 C ATOM 190 O GLU A 69 -0.007 -4.705 -6.544 1.00 0.00 O ATOM 191 CB GLU A 69 -3.068 -3.964 -7.485 1.00 0.00 C ATOM 192 CG GLU A 69 -4.189 -4.419 -8.421 1.00 0.00 C ATOM 193 CD GLU A 69 -4.907 -3.205 -9.002 1.00 0.00 C ATOM 194 OE1 GLU A 69 -4.693 -2.117 -8.495 1.00 0.00 O ATOM 195 OE2 GLU A 69 -5.660 -3.383 -9.946 1.00 0.00 O ATOM 0 H GLU A 69 -4.163 -5.618 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.939 -5.776 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.482 -3.384 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.377 -3.311 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.777 -5.028 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.897 -5.045 -7.877 1.00 0.00 H new ATOM 202 N MET A 70 -1.432 -4.386 -4.838 1.00 0.00 N ATOM 203 CA MET A 70 -0.380 -3.942 -3.932 1.00 0.00 C ATOM 204 C MET A 70 0.532 -5.111 -3.570 1.00 0.00 C ATOM 205 O MET A 70 1.749 -5.038 -3.735 1.00 0.00 O ATOM 206 CB MET A 70 -0.994 -3.353 -2.659 1.00 0.00 C ATOM 207 CG MET A 70 -1.571 -1.966 -2.958 1.00 0.00 C ATOM 208 SD MET A 70 -2.007 -1.141 -1.405 1.00 0.00 S ATOM 209 CE MET A 70 -3.417 -2.186 -0.951 1.00 0.00 C ATOM 0 H MET A 70 -2.368 -4.400 -4.433 1.00 0.00 H new ATOM 0 HA MET A 70 0.209 -3.173 -4.433 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.778 -4.011 -2.284 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.237 -3.282 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.843 -1.369 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.452 -2.057 -3.593 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.934 -1.748 -0.097 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.104 -2.257 -1.794 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.062 -3.182 -0.688 1.00 0.00 H new ATOM 219 N SER A 71 -0.069 -6.188 -3.077 1.00 0.00 N ATOM 220 CA SER A 71 0.695 -7.369 -2.694 1.00 0.00 C ATOM 221 C SER A 71 1.671 -7.770 -3.796 1.00 0.00 C ATOM 222 O SER A 71 2.877 -7.863 -3.562 1.00 0.00 O ATOM 223 CB SER A 71 -0.253 -8.532 -2.403 1.00 0.00 C ATOM 224 OG SER A 71 0.464 -9.756 -2.486 1.00 0.00 O ATOM 0 H SER A 71 -1.076 -6.268 -2.934 1.00 0.00 H new ATOM 0 HA SER A 71 1.265 -7.128 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.690 -8.420 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.077 -8.531 -3.116 1.00 0.00 H new ATOM 0 HG SER A 71 -0.142 -10.503 -2.298 1.00 0.00 H new ATOM 230 N GLU A 72 1.150 -8.011 -4.997 1.00 0.00 N ATOM 231 CA GLU A 72 2.002 -8.405 -6.113 1.00 0.00 C ATOM 232 C GLU A 72 3.063 -7.340 -6.381 1.00 0.00 C ATOM 233 O GLU A 72 4.228 -7.664 -6.610 1.00 0.00 O ATOM 234 CB GLU A 72 1.162 -8.640 -7.372 1.00 0.00 C ATOM 235 CG GLU A 72 0.563 -7.319 -7.850 1.00 0.00 C ATOM 236 CD GLU A 72 -0.456 -7.579 -8.955 1.00 0.00 C ATOM 237 OE1 GLU A 72 -0.959 -8.688 -9.020 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.718 -6.665 -9.718 1.00 0.00 O ATOM 0 H GLU A 72 0.157 -7.942 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 72 2.503 -9.336 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.781 -9.074 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.367 -9.355 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.085 -6.804 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.353 -6.664 -8.219 1.00 0.00 H new ATOM 245 N PHE A 73 2.661 -6.070 -6.349 1.00 0.00 N ATOM 246 CA PHE A 73 3.606 -4.985 -6.587 1.00 0.00 C ATOM 247 C PHE A 73 4.878 -5.207 -5.770 1.00 0.00 C ATOM 248 O PHE A 73 5.982 -5.188 -6.311 1.00 0.00 O ATOM 249 CB PHE A 73 2.972 -3.635 -6.209 1.00 0.00 C ATOM 250 CG PHE A 73 2.708 -2.819 -7.456 1.00 0.00 C ATOM 251 CD1 PHE A 73 3.753 -2.535 -8.345 1.00 0.00 C ATOM 252 CD2 PHE A 73 1.416 -2.350 -7.726 1.00 0.00 C ATOM 253 CE1 PHE A 73 3.507 -1.784 -9.499 1.00 0.00 C ATOM 254 CE2 PHE A 73 1.171 -1.600 -8.880 1.00 0.00 C ATOM 255 CZ PHE A 73 2.216 -1.316 -9.767 1.00 0.00 C ATOM 0 H PHE A 73 1.703 -5.772 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 73 3.862 -4.972 -7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.040 -3.800 -5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.635 -3.087 -5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.750 -2.896 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.609 -2.568 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.314 -1.565 -10.183 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.174 -1.239 -9.087 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.026 -0.736 -10.658 1.00 0.00 H new ATOM 265 N LEU A 74 4.713 -5.418 -4.466 1.00 0.00 N ATOM 266 CA LEU A 74 5.861 -5.642 -3.592 1.00 0.00 C ATOM 267 C LEU A 74 6.609 -6.904 -4.011 1.00 0.00 C ATOM 268 O LEU A 74 7.838 -6.913 -4.089 1.00 0.00 O ATOM 269 CB LEU A 74 5.404 -5.785 -2.137 1.00 0.00 C ATOM 270 CG LEU A 74 4.433 -4.659 -1.780 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.149 -4.689 -0.276 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.047 -3.307 -2.154 1.00 0.00 C ATOM 0 H LEU A 74 3.808 -5.438 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 74 6.526 -4.783 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.922 -6.752 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.267 -5.757 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 74 3.503 -4.798 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.457 -3.887 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.707 -5.649 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.081 -4.553 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.351 -2.508 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.979 -3.166 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.249 -3.283 -3.225 1.00 0.00 H new ATOM 284 N SER A 75 5.858 -7.969 -4.275 1.00 0.00 N ATOM 285 CA SER A 75 6.460 -9.235 -4.681 1.00 0.00 C ATOM 286 C SER A 75 7.410 -9.034 -5.858 1.00 0.00 C ATOM 287 O SER A 75 8.521 -9.563 -5.867 1.00 0.00 O ATOM 288 CB SER A 75 5.366 -10.229 -5.073 1.00 0.00 C ATOM 289 OG SER A 75 5.928 -11.532 -5.169 1.00 0.00 O ATOM 0 H SER A 75 4.840 -7.982 -4.216 1.00 0.00 H new ATOM 0 HA SER A 75 7.028 -9.628 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.567 -10.219 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.921 -9.941 -6.026 1.00 0.00 H new ATOM 0 HG SER A 75 5.229 -12.172 -5.419 1.00 0.00 H new ATOM 295 N ARG A 76 6.965 -8.270 -6.852 1.00 0.00 N ATOM 296 CA ARG A 76 7.787 -8.013 -8.030 1.00 0.00 C ATOM 297 C ARG A 76 8.802 -6.910 -7.754 1.00 0.00 C ATOM 298 O ARG A 76 9.848 -6.841 -8.400 1.00 0.00 O ATOM 299 CB ARG A 76 6.898 -7.607 -9.208 1.00 0.00 C ATOM 300 CG ARG A 76 5.927 -8.746 -9.537 1.00 0.00 C ATOM 301 CD ARG A 76 5.510 -8.658 -11.006 1.00 0.00 C ATOM 302 NE ARG A 76 4.980 -7.331 -11.302 1.00 0.00 N ATOM 303 CZ ARG A 76 3.713 -7.024 -11.045 1.00 0.00 C ATOM 304 NH1 ARG A 76 2.918 -7.915 -10.520 1.00 0.00 N ATOM 305 NH2 ARG A 76 3.263 -5.830 -11.320 1.00 0.00 N ATOM 0 H ARG A 76 6.049 -7.822 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 76 8.325 -8.928 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.343 -6.702 -8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.513 -7.377 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.400 -9.708 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.048 -8.685 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.366 -8.867 -11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.757 -9.415 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 76 5.593 -6.627 -11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.269 -8.849 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.946 -7.678 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.884 -5.133 -11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.291 -5.594 -11.123 1.00 0.00 H new ATOM 526 N TYR A 92 10.114 9.261 5.224 1.00 0.00 N ATOM 527 CA TYR A 92 9.076 9.726 4.305 1.00 0.00 C ATOM 528 C TYR A 92 7.694 9.344 4.829 1.00 0.00 C ATOM 529 O TYR A 92 7.334 8.168 4.855 1.00 0.00 O ATOM 530 CB TYR A 92 9.288 9.101 2.921 1.00 0.00 C ATOM 531 CG TYR A 92 10.203 9.978 2.098 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.720 11.171 1.548 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.534 9.597 1.884 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.566 11.983 0.782 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.379 10.409 1.118 1.00 0.00 C ATOM 536 CZ TYR A 92 11.895 11.603 0.568 1.00 0.00 C ATOM 537 OH TYR A 92 12.729 12.403 -0.185 1.00 0.00 O ATOM 0 HA TYR A 92 9.140 10.811 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.719 8.105 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.330 8.983 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.694 11.466 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.908 8.678 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.192 12.903 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.405 10.115 0.951 1.00 0.00 H new ATOM 0 HH TYR A 92 13.464 11.863 -0.544 1.00 0.00 H new ATOM 547 N ASP A 93 6.924 10.346 5.241 1.00 0.00 N ATOM 548 CA ASP A 93 5.580 10.104 5.757 1.00 0.00 C ATOM 549 C ASP A 93 4.543 10.330 4.662 1.00 0.00 C ATOM 550 O ASP A 93 4.112 11.459 4.426 1.00 0.00 O ATOM 551 CB ASP A 93 5.295 11.038 6.933 1.00 0.00 C ATOM 552 CG ASP A 93 6.204 10.691 8.107 1.00 0.00 C ATOM 553 OD1 ASP A 93 5.837 9.818 8.877 1.00 0.00 O ATOM 554 OD2 ASP A 93 7.254 11.300 8.219 1.00 0.00 O ATOM 0 H ASP A 93 7.204 11.327 5.228 1.00 0.00 H new ATOM 0 HA ASP A 93 5.519 9.069 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.455 12.074 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.251 10.950 7.233 1.00 0.00 H new ATOM 559 N LEU A 94 4.148 9.249 3.994 1.00 0.00 N ATOM 560 CA LEU A 94 3.161 9.340 2.923 1.00 0.00 C ATOM 561 C LEU A 94 1.775 8.960 3.440 1.00 0.00 C ATOM 562 O LEU A 94 0.934 8.474 2.685 1.00 0.00 O ATOM 563 CB LEU A 94 3.546 8.408 1.772 1.00 0.00 C ATOM 564 CG LEU A 94 5.053 8.488 1.517 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.426 7.548 0.369 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.433 9.922 1.142 1.00 0.00 C ATOM 0 H LEU A 94 4.494 8.306 4.174 1.00 0.00 H new ATOM 0 HA LEU A 94 3.138 10.369 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.263 7.383 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.001 8.686 0.870 1.00 0.00 H new ATOM 0 HG LEU A 94 5.589 8.194 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.499 7.604 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.156 6.526 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.889 7.843 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.506 9.978 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.897 10.217 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.167 10.594 1.958 1.00 0.00 H new ATOM 578 N SER A 95 1.548 9.182 4.730 1.00 0.00 N ATOM 579 CA SER A 95 0.263 8.854 5.339 1.00 0.00 C ATOM 580 C SER A 95 -0.834 9.776 4.813 1.00 0.00 C ATOM 581 O SER A 95 -2.014 9.578 5.100 1.00 0.00 O ATOM 582 CB SER A 95 0.356 8.988 6.858 1.00 0.00 C ATOM 583 OG SER A 95 -0.889 8.624 7.439 1.00 0.00 O ATOM 0 H SER A 95 2.232 9.585 5.371 1.00 0.00 H new ATOM 0 HA SER A 95 0.013 7.826 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.151 8.349 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.611 10.012 7.129 1.00 0.00 H new ATOM 0 HG SER A 95 -1.614 8.828 6.813 1.00 0.00 H new ATOM 589 N LYS A 96 -0.437 10.786 4.043 1.00 0.00 N ATOM 590 CA LYS A 96 -1.395 11.735 3.484 1.00 0.00 C ATOM 591 C LYS A 96 -1.642 11.443 2.007 1.00 0.00 C ATOM 592 O LYS A 96 -2.415 12.139 1.348 1.00 0.00 O ATOM 593 CB LYS A 96 -0.867 13.161 3.643 1.00 0.00 C ATOM 594 CG LYS A 96 -0.259 13.330 5.038 1.00 0.00 C ATOM 595 CD LYS A 96 -1.314 13.008 6.099 1.00 0.00 C ATOM 596 CE LYS A 96 -0.857 13.547 7.456 1.00 0.00 C ATOM 597 NZ LYS A 96 0.385 12.839 7.879 1.00 0.00 N ATOM 0 H LYS A 96 0.535 10.968 3.793 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.337 11.633 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.117 13.369 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.676 13.877 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.601 12.670 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.102 14.350 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.270 13.453 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.469 11.931 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.673 14.619 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.641 13.404 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.249 12.436 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.596 12.075 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.178 13.511 7.899 1.00 0.00 H new ATOM 611 N TRP A 97 -0.976 10.414 1.491 1.00 0.00 N ATOM 612 CA TRP A 97 -1.127 10.040 0.089 1.00 0.00 C ATOM 613 C TRP A 97 -2.254 9.024 -0.078 1.00 0.00 C ATOM 614 O TRP A 97 -2.629 8.338 0.873 1.00 0.00 O ATOM 615 CB TRP A 97 0.180 9.441 -0.434 1.00 0.00 C ATOM 616 CG TRP A 97 1.239 10.496 -0.468 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.630 11.242 0.591 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.048 10.933 -1.597 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.631 12.106 0.183 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.923 11.956 -1.157 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.109 10.546 -2.948 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.826 12.571 -2.026 1.00 0.00 C ATOM 623 CZ3 TRP A 97 3.015 11.164 -3.825 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.872 12.174 -3.363 1.00 0.00 C ATOM 0 H TRP A 97 -0.330 9.827 2.019 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.373 10.936 -0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.495 8.616 0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.029 9.031 -1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.227 11.174 1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.097 12.773 0.798 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.455 9.768 -3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.484 13.348 -1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.052 10.860 -4.861 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.568 12.644 -4.042 1.00 0.00 H new ATOM 635 N LYS A 98 -2.786 8.931 -1.294 1.00 0.00 N ATOM 636 CA LYS A 98 -3.868 7.993 -1.579 1.00 0.00 C ATOM 637 C LYS A 98 -3.343 6.792 -2.360 1.00 0.00 C ATOM 638 O LYS A 98 -2.292 6.865 -2.996 1.00 0.00 O ATOM 639 CB LYS A 98 -4.965 8.689 -2.388 1.00 0.00 C ATOM 640 CG LYS A 98 -5.327 10.021 -1.726 1.00 0.00 C ATOM 641 CD LYS A 98 -5.891 9.765 -0.325 1.00 0.00 C ATOM 642 CE LYS A 98 -6.685 10.987 0.141 1.00 0.00 C ATOM 643 NZ LYS A 98 -5.866 12.217 -0.061 1.00 0.00 N ATOM 0 H LYS A 98 -2.488 9.490 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.281 7.646 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.624 8.860 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.846 8.050 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.445 10.658 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.061 10.552 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.533 8.884 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.079 9.559 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.618 11.063 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.950 10.882 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.253 12.991 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.883 12.031 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.889 12.489 -1.065 1.00 0.00 H new ATOM 657 N TYR A 99 -4.081 5.690 -2.303 1.00 0.00 N ATOM 658 CA TYR A 99 -3.685 4.474 -3.007 1.00 0.00 C ATOM 659 C TYR A 99 -3.308 4.786 -4.454 1.00 0.00 C ATOM 660 O TYR A 99 -2.318 4.268 -4.974 1.00 0.00 O ATOM 661 CB TYR A 99 -4.834 3.460 -2.975 1.00 0.00 C ATOM 662 CG TYR A 99 -4.574 2.350 -3.971 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.401 1.592 -3.884 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.508 2.079 -4.980 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.160 0.564 -4.805 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.267 1.051 -5.899 1.00 0.00 C ATOM 667 CZ TYR A 99 -4.094 0.294 -5.812 1.00 0.00 C ATOM 668 OH TYR A 99 -3.856 -0.719 -6.719 1.00 0.00 O ATOM 0 H TYR A 99 -4.953 5.612 -1.780 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.814 4.051 -2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.935 3.044 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.775 3.957 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.681 1.800 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.414 2.663 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.254 -0.020 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.987 0.842 -6.676 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.660 -0.871 -7.258 1.00 0.00 H new ATOM 678 N ALA A 100 -4.106 5.632 -5.100 1.00 0.00 N ATOM 679 CA ALA A 100 -3.852 6.001 -6.488 1.00 0.00 C ATOM 680 C ALA A 100 -2.577 6.831 -6.606 1.00 0.00 C ATOM 681 O ALA A 100 -1.813 6.680 -7.560 1.00 0.00 O ATOM 682 CB ALA A 100 -5.035 6.801 -7.039 1.00 0.00 C ATOM 0 H ALA A 100 -4.928 6.072 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.727 5.086 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.839 7.073 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.939 6.195 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.171 7.705 -6.446 1.00 0.00 H new ATOM 688 N GLU A 101 -2.358 7.711 -5.638 1.00 0.00 N ATOM 689 CA GLU A 101 -1.176 8.565 -5.649 1.00 0.00 C ATOM 690 C GLU A 101 0.090 7.737 -5.450 1.00 0.00 C ATOM 691 O GLU A 101 1.076 7.914 -6.163 1.00 0.00 O ATOM 692 CB GLU A 101 -1.280 9.615 -4.538 1.00 0.00 C ATOM 693 CG GLU A 101 -2.548 10.451 -4.738 1.00 0.00 C ATOM 694 CD GLU A 101 -2.287 11.569 -5.743 1.00 0.00 C ATOM 695 OE1 GLU A 101 -2.021 11.255 -6.892 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.359 12.721 -5.348 1.00 0.00 O ATOM 0 H GLU A 101 -2.978 7.852 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.121 9.062 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.304 9.127 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.401 10.260 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.360 9.815 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.867 10.875 -3.786 1.00 0.00 H new ATOM 703 N LEU A 102 0.054 6.836 -4.475 1.00 0.00 N ATOM 704 CA LEU A 102 1.204 5.987 -4.189 1.00 0.00 C ATOM 705 C LEU A 102 1.542 5.108 -5.390 1.00 0.00 C ATOM 706 O LEU A 102 2.620 5.230 -5.975 1.00 0.00 O ATOM 707 CB LEU A 102 0.910 5.106 -2.972 1.00 0.00 C ATOM 708 CG LEU A 102 0.772 5.979 -1.720 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.268 5.120 -0.557 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.133 6.589 -1.353 1.00 0.00 C ATOM 0 H LEU A 102 -0.753 6.675 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 102 2.060 6.628 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.007 4.540 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.712 4.381 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 102 0.063 6.783 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.169 5.738 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.702 4.694 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.978 4.316 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.026 7.208 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.848 5.791 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.492 7.202 -2.180 1.00 0.00 H new ATOM 722 N ARG A 103 0.618 4.223 -5.755 1.00 0.00 N ATOM 723 CA ARG A 103 0.837 3.330 -6.888 1.00 0.00 C ATOM 724 C ARG A 103 1.273 4.123 -8.119 1.00 0.00 C ATOM 725 O ARG A 103 2.145 3.690 -8.876 1.00 0.00 O ATOM 726 CB ARG A 103 -0.446 2.553 -7.199 1.00 0.00 C ATOM 727 CG ARG A 103 -1.490 3.499 -7.793 1.00 0.00 C ATOM 728 CD ARG A 103 -2.846 2.789 -7.858 1.00 0.00 C ATOM 729 NE ARG A 103 -3.717 3.457 -8.818 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.827 2.874 -9.260 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.153 1.683 -8.836 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.591 3.492 -10.120 1.00 0.00 N ATOM 0 H ARG A 103 -0.281 4.106 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 103 1.628 2.627 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.233 1.745 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.833 2.093 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.568 4.400 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.185 3.814 -8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.706 1.747 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.312 2.787 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.470 4.387 -9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.556 1.199 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.005 1.236 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.336 4.422 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.443 3.045 -10.459 1.00 0.00 H new ATOM 746 N ASP A 104 0.662 5.287 -8.312 1.00 0.00 N ATOM 747 CA ASP A 104 0.998 6.130 -9.452 1.00 0.00 C ATOM 748 C ASP A 104 2.445 6.598 -9.360 1.00 0.00 C ATOM 749 O ASP A 104 3.247 6.352 -10.259 1.00 0.00 O ATOM 750 CB ASP A 104 0.067 7.341 -9.495 1.00 0.00 C ATOM 751 CG ASP A 104 0.521 8.314 -10.579 1.00 0.00 C ATOM 752 OD1 ASP A 104 1.479 9.031 -10.341 1.00 0.00 O ATOM 753 OD2 ASP A 104 -0.097 8.327 -11.630 1.00 0.00 O ATOM 0 H ASP A 104 -0.061 5.665 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 104 0.875 5.546 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.955 7.017 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.062 7.840 -8.526 1.00 0.00 H new ATOM 758 N THR A 105 2.770 7.278 -8.266 1.00 0.00 N ATOM 759 CA THR A 105 4.122 7.783 -8.062 1.00 0.00 C ATOM 760 C THR A 105 5.159 6.730 -8.437 1.00 0.00 C ATOM 761 O THR A 105 6.008 6.966 -9.296 1.00 0.00 O ATOM 762 CB THR A 105 4.312 8.190 -6.599 1.00 0.00 C ATOM 763 OG1 THR A 105 3.182 8.934 -6.167 1.00 0.00 O ATOM 764 CG2 THR A 105 5.571 9.046 -6.464 1.00 0.00 C ATOM 0 H THR A 105 2.119 7.491 -7.510 1.00 0.00 H new ATOM 0 HA THR A 105 4.261 8.652 -8.705 1.00 0.00 H new ATOM 0 HB THR A 105 4.417 7.297 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.523 8.327 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.705 9.335 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.437 8.474 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.470 9.941 -7.078 1.00 0.00 H new ATOM 772 N ILE A 106 5.094 5.572 -7.787 1.00 0.00 N ATOM 773 CA ILE A 106 6.049 4.504 -8.067 1.00 0.00 C ATOM 774 C ILE A 106 5.967 4.064 -9.523 1.00 0.00 C ATOM 775 O ILE A 106 6.968 3.654 -10.111 1.00 0.00 O ATOM 776 CB ILE A 106 5.788 3.308 -7.150 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.387 2.753 -7.406 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.889 3.752 -5.693 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.149 1.562 -6.479 1.00 0.00 C ATOM 0 H ILE A 106 4.401 5.350 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 106 7.051 4.891 -7.879 1.00 0.00 H new ATOM 0 HB ILE A 106 6.529 2.535 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.638 3.524 -7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.288 2.446 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.703 2.900 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.887 4.146 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.149 4.528 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.152 1.159 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.893 0.791 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.233 1.886 -5.442 1.00 0.00 H new ATOM 791 N ASN A 107 4.774 4.145 -10.102 1.00 0.00 N ATOM 792 CA ASN A 107 4.590 3.744 -11.490 1.00 0.00 C ATOM 793 C ASN A 107 5.283 4.721 -12.441 1.00 0.00 C ATOM 794 O ASN A 107 5.633 4.359 -13.563 1.00 0.00 O ATOM 795 CB ASN A 107 3.094 3.683 -11.813 1.00 0.00 C ATOM 796 CG ASN A 107 2.584 2.249 -11.699 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.086 1.353 -12.381 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.612 1.975 -10.873 1.00 0.00 N ATOM 0 H ASN A 107 3.930 4.481 -9.638 1.00 0.00 H new ATOM 0 HA ASN A 107 5.037 2.759 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.541 4.328 -11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.917 4.060 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.267 1.019 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.197 2.717 -10.309 1.00 0.00 H new ATOM 805 N THR A 108 5.474 5.959 -11.990 1.00 0.00 N ATOM 806 CA THR A 108 6.121 6.973 -12.823 1.00 0.00 C ATOM 807 C THR A 108 7.161 7.758 -12.027 1.00 0.00 C ATOM 808 O THR A 108 7.281 8.973 -12.178 1.00 0.00 O ATOM 809 CB THR A 108 5.070 7.936 -13.382 1.00 0.00 C ATOM 810 OG1 THR A 108 5.695 8.851 -14.270 1.00 0.00 O ATOM 811 CG2 THR A 108 4.409 8.707 -12.235 1.00 0.00 C ATOM 0 H THR A 108 5.194 6.283 -11.064 1.00 0.00 H new ATOM 0 HA THR A 108 6.627 6.464 -13.643 1.00 0.00 H new ATOM 0 HB THR A 108 4.309 7.368 -13.917 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.444 9.289 -13.815 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.662 9.391 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.928 8.005 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.166 9.275 -11.695 1.00 0.00 H new ATOM 819 N SER A 109 7.916 7.053 -11.187 1.00 0.00 N ATOM 820 CA SER A 109 8.952 7.697 -10.376 1.00 0.00 C ATOM 821 C SER A 109 10.302 7.025 -10.603 1.00 0.00 C ATOM 822 O SER A 109 10.399 6.029 -11.320 1.00 0.00 O ATOM 823 CB SER A 109 8.586 7.618 -8.895 1.00 0.00 C ATOM 824 OG SER A 109 9.732 7.929 -8.113 1.00 0.00 O ATOM 0 H SER A 109 7.833 6.046 -11.049 1.00 0.00 H new ATOM 0 HA SER A 109 9.021 8.743 -10.676 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.778 8.314 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.224 6.619 -8.650 1.00 0.00 H new ATOM 0 HG SER A 109 9.897 8.894 -8.144 1.00 0.00 H new ATOM 830 N CYS A 110 11.344 7.577 -9.987 1.00 0.00 N ATOM 831 CA CYS A 110 12.685 7.025 -10.127 1.00 0.00 C ATOM 832 C CYS A 110 13.520 7.318 -8.883 1.00 0.00 C ATOM 833 O CYS A 110 14.751 7.328 -8.938 1.00 0.00 O ATOM 834 CB CYS A 110 13.371 7.623 -11.355 1.00 0.00 C ATOM 835 SG CYS A 110 14.830 6.637 -11.775 1.00 0.00 S ATOM 0 H CYS A 110 11.285 8.402 -9.390 1.00 0.00 H new ATOM 0 HA CYS A 110 12.600 5.945 -10.248 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.679 7.644 -12.197 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.662 8.654 -11.156 1.00 0.00 H new ATOM 0 HG CYS A 110 15.545 6.444 -10.707 1.00 0.00 H new ATOM 841 N ASP A 111 12.842 7.552 -7.763 1.00 0.00 N ATOM 842 CA ASP A 111 13.530 7.842 -6.506 1.00 0.00 C ATOM 843 C ASP A 111 13.554 6.594 -5.626 1.00 0.00 C ATOM 844 O ASP A 111 12.510 6.067 -5.252 1.00 0.00 O ATOM 845 CB ASP A 111 12.819 8.989 -5.776 1.00 0.00 C ATOM 846 CG ASP A 111 13.461 10.324 -6.141 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.670 10.433 -6.011 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.735 11.217 -6.546 1.00 0.00 O ATOM 0 H ASP A 111 11.824 7.547 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 111 14.556 8.141 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.762 9.000 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.874 8.833 -4.699 1.00 0.00 H new ATOM 853 N ILE A 112 14.752 6.125 -5.306 1.00 0.00 N ATOM 854 CA ILE A 112 14.901 4.932 -4.479 1.00 0.00 C ATOM 855 C ILE A 112 14.193 5.104 -3.137 1.00 0.00 C ATOM 856 O ILE A 112 13.243 4.384 -2.832 1.00 0.00 O ATOM 857 CB ILE A 112 16.386 4.648 -4.242 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.110 4.517 -5.594 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.536 3.351 -3.439 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.990 3.084 -6.124 1.00 0.00 C ATOM 0 H ILE A 112 15.631 6.548 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 112 14.445 4.093 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 112 16.829 5.470 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.681 5.215 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.161 4.783 -5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.593 3.148 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.029 3.456 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.093 2.525 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.506 3.005 -7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.440 2.393 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.938 2.833 -6.258 1.00 0.00 H new ATOM 872 N GLU A 113 14.666 6.054 -2.340 1.00 0.00 N ATOM 873 CA GLU A 113 14.072 6.300 -1.030 1.00 0.00 C ATOM 874 C GLU A 113 12.552 6.401 -1.133 1.00 0.00 C ATOM 875 O GLU A 113 11.826 5.785 -0.353 1.00 0.00 O ATOM 876 CB GLU A 113 14.637 7.591 -0.429 1.00 0.00 C ATOM 877 CG GLU A 113 14.745 8.667 -1.512 1.00 0.00 C ATOM 878 CD GLU A 113 15.299 9.954 -0.911 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.189 9.864 -0.082 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.827 11.013 -1.293 1.00 0.00 O ATOM 0 H GLU A 113 15.451 6.662 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 113 14.321 5.461 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.993 7.939 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.618 7.401 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.395 8.322 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.765 8.853 -1.951 1.00 0.00 H new ATOM 887 N LEU A 114 12.078 7.182 -2.098 1.00 0.00 N ATOM 888 CA LEU A 114 10.642 7.355 -2.294 1.00 0.00 C ATOM 889 C LEU A 114 9.982 6.005 -2.560 1.00 0.00 C ATOM 890 O LEU A 114 9.109 5.566 -1.807 1.00 0.00 O ATOM 891 CB LEU A 114 10.406 8.310 -3.476 1.00 0.00 C ATOM 892 CG LEU A 114 8.913 8.651 -3.641 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.141 7.432 -4.161 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.317 9.107 -2.303 1.00 0.00 C ATOM 0 H LEU A 114 12.662 7.702 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 114 10.199 7.781 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.974 9.227 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.779 7.854 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 114 8.826 9.462 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.088 7.689 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.545 7.131 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.241 6.609 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.262 9.344 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.419 8.308 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.846 9.993 -1.952 1.00 0.00 H new ATOM 906 N LEU A 115 10.410 5.348 -3.633 1.00 0.00 N ATOM 907 CA LEU A 115 9.866 4.044 -3.997 1.00 0.00 C ATOM 908 C LEU A 115 9.736 3.163 -2.756 1.00 0.00 C ATOM 909 O LEU A 115 8.705 2.524 -2.540 1.00 0.00 O ATOM 910 CB LEU A 115 10.794 3.360 -5.018 1.00 0.00 C ATOM 911 CG LEU A 115 10.317 3.610 -6.461 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.167 2.658 -6.799 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.853 5.064 -6.634 1.00 0.00 C ATOM 0 H LEU A 115 11.131 5.696 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 115 8.880 4.185 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.810 3.736 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.825 2.288 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 115 11.152 3.428 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.833 2.839 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.509 1.627 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.339 2.829 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.520 5.220 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.029 5.267 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.681 5.739 -6.415 1.00 0.00 H new ATOM 925 N ALA A 116 10.790 3.130 -1.949 1.00 0.00 N ATOM 926 CA ALA A 116 10.788 2.322 -0.734 1.00 0.00 C ATOM 927 C ALA A 116 9.663 2.757 0.199 1.00 0.00 C ATOM 928 O ALA A 116 8.907 1.928 0.704 1.00 0.00 O ATOM 929 CB ALA A 116 12.130 2.462 -0.016 1.00 0.00 C ATOM 0 H ALA A 116 11.652 3.650 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 116 10.629 1.280 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.123 1.857 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.931 2.123 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.295 3.507 0.247 1.00 0.00 H new ATOM 935 N ALA A 117 9.566 4.062 0.427 1.00 0.00 N ATOM 936 CA ALA A 117 8.533 4.599 1.303 1.00 0.00 C ATOM 937 C ALA A 117 7.161 4.045 0.929 1.00 0.00 C ATOM 938 O ALA A 117 6.476 3.445 1.757 1.00 0.00 O ATOM 939 CB ALA A 117 8.514 6.125 1.205 1.00 0.00 C ATOM 0 H ALA A 117 10.186 4.763 0.020 1.00 0.00 H new ATOM 0 HA ALA A 117 8.760 4.300 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.740 6.522 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.484 6.521 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.305 6.421 0.177 1.00 0.00 H new ATOM 945 N CYS A 118 6.764 4.256 -0.321 1.00 0.00 N ATOM 946 CA CYS A 118 5.468 3.775 -0.793 1.00 0.00 C ATOM 947 C CYS A 118 5.308 2.280 -0.525 1.00 0.00 C ATOM 948 O CYS A 118 4.378 1.856 0.161 1.00 0.00 O ATOM 949 CB CYS A 118 5.326 4.041 -2.291 1.00 0.00 C ATOM 950 SG CYS A 118 5.463 5.816 -2.605 1.00 0.00 S ATOM 0 H CYS A 118 7.315 4.752 -1.022 1.00 0.00 H new ATOM 0 HA CYS A 118 4.690 4.311 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.098 3.503 -2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.364 3.671 -2.647 1.00 0.00 H new ATOM 0 HG CYS A 118 5.344 6.042 -3.880 1.00 0.00 H new ATOM 956 N ARG A 119 6.215 1.485 -1.079 1.00 0.00 N ATOM 957 CA ARG A 119 6.157 0.039 -0.899 1.00 0.00 C ATOM 958 C ARG A 119 5.916 -0.312 0.568 1.00 0.00 C ATOM 959 O ARG A 119 5.099 -1.179 0.881 1.00 0.00 O ATOM 960 CB ARG A 119 7.467 -0.599 -1.376 1.00 0.00 C ATOM 961 CG ARG A 119 7.423 -0.802 -2.894 1.00 0.00 C ATOM 962 CD ARG A 119 8.695 -1.519 -3.347 1.00 0.00 C ATOM 963 NE ARG A 119 8.648 -2.924 -2.954 1.00 0.00 N ATOM 964 CZ ARG A 119 9.758 -3.603 -2.678 1.00 0.00 C ATOM 965 NH1 ARG A 119 10.922 -3.017 -2.756 1.00 0.00 N ATOM 966 NH2 ARG A 119 9.683 -4.859 -2.330 1.00 0.00 N ATOM 0 H ARG A 119 6.993 1.813 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 119 5.328 -0.350 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.310 0.038 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.619 -1.556 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.545 -1.387 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.335 0.160 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.800 -1.440 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.569 -1.039 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 119 7.745 -3.395 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.982 -2.036 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.772 -3.540 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.774 -5.318 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.533 -5.381 -2.118 1.00 0.00 H new ATOM 980 N GLU A 120 6.631 0.363 1.461 1.00 0.00 N ATOM 981 CA GLU A 120 6.482 0.107 2.889 1.00 0.00 C ATOM 982 C GLU A 120 5.055 0.403 3.343 1.00 0.00 C ATOM 983 O GLU A 120 4.444 -0.395 4.055 1.00 0.00 O ATOM 984 CB GLU A 120 7.462 0.971 3.684 1.00 0.00 C ATOM 985 CG GLU A 120 8.891 0.479 3.439 1.00 0.00 C ATOM 986 CD GLU A 120 9.139 -0.810 4.216 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.229 -1.251 4.900 1.00 0.00 O ATOM 988 OE2 GLU A 120 10.235 -1.336 4.116 1.00 0.00 O ATOM 0 H GLU A 120 7.313 1.084 1.225 1.00 0.00 H new ATOM 0 HA GLU A 120 6.698 -0.946 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.369 2.015 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.227 0.922 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.048 0.307 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.605 1.242 3.747 1.00 0.00 H new ATOM 995 N GLU A 121 4.527 1.549 2.925 1.00 0.00 N ATOM 996 CA GLU A 121 3.172 1.926 3.298 1.00 0.00 C ATOM 997 C GLU A 121 2.207 0.791 2.975 1.00 0.00 C ATOM 998 O GLU A 121 1.397 0.394 3.815 1.00 0.00 O ATOM 999 CB GLU A 121 2.754 3.200 2.548 1.00 0.00 C ATOM 1000 CG GLU A 121 3.102 4.432 3.387 1.00 0.00 C ATOM 1001 CD GLU A 121 4.609 4.506 3.605 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.154 3.567 4.163 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.197 5.500 3.212 1.00 0.00 O ATOM 0 H GLU A 121 5.012 2.225 2.334 1.00 0.00 H new ATOM 0 HA GLU A 121 3.143 2.121 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.262 3.249 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.684 3.178 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.754 5.334 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.589 4.385 4.348 1.00 0.00 H new ATOM 1010 N PHE A 122 2.301 0.264 1.759 1.00 0.00 N ATOM 1011 CA PHE A 122 1.432 -0.832 1.352 1.00 0.00 C ATOM 1012 C PHE A 122 1.590 -2.010 2.309 1.00 0.00 C ATOM 1013 O PHE A 122 0.634 -2.411 2.972 1.00 0.00 O ATOM 1014 CB PHE A 122 1.776 -1.297 -0.068 1.00 0.00 C ATOM 1015 CG PHE A 122 1.474 -0.215 -1.088 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.340 0.606 -0.960 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.331 -0.047 -2.182 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.076 1.588 -1.924 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.062 0.931 -3.143 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.936 1.750 -3.015 1.00 0.00 C ATOM 0 H PHE A 122 2.962 0.574 1.046 1.00 0.00 H new ATOM 0 HA PHE A 122 0.403 -0.473 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.831 -1.565 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.207 -2.195 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.327 0.480 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.203 -0.676 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.793 2.221 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.725 1.055 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.731 2.507 -3.758 1.00 0.00 H new ATOM 1030 N HIS A 123 2.800 -2.555 2.375 1.00 0.00 N ATOM 1031 CA HIS A 123 3.076 -3.690 3.252 1.00 0.00 C ATOM 1032 C HIS A 123 2.338 -3.540 4.579 1.00 0.00 C ATOM 1033 O HIS A 123 1.760 -4.499 5.090 1.00 0.00 O ATOM 1034 CB HIS A 123 4.580 -3.792 3.511 1.00 0.00 C ATOM 1035 CG HIS A 123 4.849 -4.898 4.496 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.417 -6.199 4.285 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.503 -4.912 5.702 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.814 -6.934 5.339 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.480 -6.198 6.233 1.00 0.00 N ATOM 0 H HIS A 123 3.603 -2.232 1.835 1.00 0.00 H new ATOM 0 HA HIS A 123 2.727 -4.598 2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.108 -3.987 2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.957 -2.846 3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.966 -4.055 6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.618 -7.990 5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.885 -6.511 7.115 1.00 0.00 H new ATOM 1047 N ARG A 124 2.363 -2.332 5.131 1.00 0.00 N ATOM 1048 CA ARG A 124 1.691 -2.075 6.399 1.00 0.00 C ATOM 1049 C ARG A 124 0.180 -2.242 6.245 1.00 0.00 C ATOM 1050 O ARG A 124 -0.474 -2.875 7.075 1.00 0.00 O ATOM 1051 CB ARG A 124 2.014 -0.653 6.885 1.00 0.00 C ATOM 1052 CG ARG A 124 3.175 -0.687 7.889 1.00 0.00 C ATOM 1053 CD ARG A 124 4.476 -1.047 7.169 1.00 0.00 C ATOM 1054 NE ARG A 124 5.024 0.126 6.497 1.00 0.00 N ATOM 1055 CZ ARG A 124 5.640 1.085 7.183 1.00 0.00 C ATOM 1056 NH1 ARG A 124 5.763 0.985 8.478 1.00 0.00 N ATOM 1057 NH2 ARG A 124 6.121 2.124 6.559 1.00 0.00 N ATOM 0 H ARG A 124 2.836 -1.524 4.726 1.00 0.00 H new ATOM 0 HA ARG A 124 2.049 -2.795 7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.276 -0.021 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.133 -0.211 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.275 0.283 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.969 -1.417 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.200 -1.436 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.290 -1.838 6.442 1.00 0.00 H new ATOM 0 HE ARG A 124 4.933 0.212 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.387 0.171 8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.235 1.720 9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.025 2.201 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 124 6.594 2.860 7.083 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.368 -1.665 5.179 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.802 -1.751 4.927 1.00 0.00 C ATOM 1073 C ARG A 125 -2.214 -3.188 4.609 1.00 0.00 C ATOM 1074 O ARG A 125 -3.341 -3.593 4.892 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.181 -0.826 3.762 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.572 0.557 4.303 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.331 1.630 3.232 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.040 2.270 3.447 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.815 3.015 4.526 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.761 3.186 5.408 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.350 3.576 4.702 1.00 0.00 N ATOM 0 H ARG A 125 0.155 -1.137 4.481 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.331 -1.435 5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.343 -0.733 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.011 -1.255 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.621 0.557 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.989 0.785 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.361 1.179 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.126 2.375 3.267 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.297 2.145 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.672 2.749 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.589 3.757 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.089 3.444 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.521 4.147 5.530 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.299 -3.954 4.026 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.591 -5.343 3.686 1.00 0.00 C ATOM 1097 C LEU A 126 -1.755 -6.163 4.961 1.00 0.00 C ATOM 1098 O LEU A 126 -2.775 -6.825 5.158 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.457 -5.929 2.829 1.00 0.00 C ATOM 1100 CG LEU A 126 -0.765 -5.760 1.332 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.031 -6.544 0.958 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -0.961 -4.274 1.006 1.00 0.00 C ATOM 0 H LEU A 126 -0.359 -3.642 3.781 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.518 -5.380 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.482 -5.432 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.327 -6.986 3.062 1.00 0.00 H new ATOM 0 HG LEU A 126 0.074 -6.148 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.238 -6.416 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.881 -7.602 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.875 -6.172 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.179 -4.160 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.792 -3.880 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.052 -3.725 1.251 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.749 -6.108 5.827 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.800 -6.844 7.084 1.00 0.00 C ATOM 1116 C LYS A 127 -2.064 -6.476 7.854 1.00 0.00 C ATOM 1117 O LYS A 127 -2.818 -7.349 8.284 1.00 0.00 O ATOM 1118 CB LYS A 127 0.434 -6.516 7.931 1.00 0.00 C ATOM 1119 CG LYS A 127 1.650 -7.287 7.399 1.00 0.00 C ATOM 1120 CD LYS A 127 1.711 -8.678 8.047 1.00 0.00 C ATOM 1121 CE LYS A 127 2.432 -8.589 9.396 1.00 0.00 C ATOM 1122 NZ LYS A 127 3.906 -8.577 9.170 1.00 0.00 N ATOM 0 H LYS A 127 0.104 -5.567 5.684 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.813 -7.912 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.631 -5.444 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.252 -6.780 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.585 -7.384 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.565 -6.735 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.703 -9.069 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.233 -9.373 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.127 -7.686 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.156 -9.436 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.398 -8.653 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 4.171 -9.381 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 4.178 -7.688 8.703 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.289 -5.177 8.019 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.467 -4.699 8.734 1.00 0.00 C ATOM 1138 C VAL A 128 -4.740 -5.143 8.020 1.00 0.00 C ATOM 1139 O VAL A 128 -5.702 -5.572 8.655 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.440 -3.173 8.825 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.708 -2.681 9.526 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.212 -2.730 9.623 1.00 0.00 C ATOM 0 H VAL A 128 -1.676 -4.440 7.670 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.457 -5.123 9.738 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.392 -2.751 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.689 -1.593 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.583 -2.995 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.756 -3.104 10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.193 -1.642 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.259 -3.152 10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.308 -3.080 9.124 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.734 -5.035 6.696 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.891 -5.427 5.901 1.00 0.00 C ATOM 1154 C TYR A 129 -6.184 -6.913 6.089 1.00 0.00 C ATOM 1155 O TYR A 129 -7.342 -7.323 6.160 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.624 -5.130 4.420 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.615 -5.872 3.553 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -7.988 -5.632 3.693 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.162 -6.799 2.605 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -8.905 -6.318 2.889 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.079 -7.485 1.801 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.451 -7.244 1.942 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.354 -7.921 1.149 1.00 0.00 O ATOM 0 H TYR A 129 -3.946 -4.681 6.154 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.758 -4.856 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.700 -4.058 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.608 -5.426 4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.339 -4.917 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.104 -6.984 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -9.963 -6.133 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.728 -8.200 1.072 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.639 -7.343 0.411 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.127 -7.712 6.173 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.281 -9.150 6.357 1.00 0.00 C ATOM 1175 C HIS A 130 -5.763 -9.461 7.771 1.00 0.00 C ATOM 1176 O HIS A 130 -6.456 -10.452 7.997 1.00 0.00 O ATOM 1177 CB HIS A 130 -3.945 -9.852 6.106 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.659 -9.877 4.630 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.510 -10.490 3.723 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.622 -9.371 3.888 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -3.975 -10.336 2.498 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -2.823 -9.662 2.541 1.00 0.00 N ATOM 0 H HIS A 130 -4.160 -7.392 6.117 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.023 -9.512 5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.145 -9.332 6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -3.977 -10.869 6.498 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.382 -10.970 3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.778 -8.829 4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.423 -10.712 1.590 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.396 -8.604 8.717 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.797 -8.796 10.106 1.00 0.00 C ATOM 1192 C ALA A 131 -7.258 -8.406 10.294 1.00 0.00 C ATOM 1193 O ALA A 131 -8.066 -9.198 10.778 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.917 -7.952 11.027 1.00 0.00 C ATOM 0 H ALA A 131 -4.826 -7.775 8.550 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.676 -9.849 10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.224 -8.102 12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.876 -8.252 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -5.023 -6.899 10.766 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.589 -7.180 9.903 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.957 -6.696 10.029 1.00 0.00 C ATOM 1202 C TRP A 132 -9.904 -7.581 9.221 1.00 0.00 C ATOM 1203 O TRP A 132 -11.043 -7.815 9.624 1.00 0.00 O ATOM 1204 CB TRP A 132 -9.040 -5.246 9.536 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.454 -4.907 9.188 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.329 -4.271 10.002 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.170 -5.181 7.951 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.536 -4.137 9.339 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.487 -4.683 8.071 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.802 -5.807 6.748 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.411 -4.803 7.032 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.729 -5.930 5.699 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.032 -5.429 5.842 1.00 0.00 C ATOM 0 H TRP A 132 -6.935 -6.509 9.500 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.254 -6.734 11.077 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.674 -4.569 10.308 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.400 -5.112 8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -11.119 -3.925 11.004 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.361 -3.690 9.738 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.801 -6.196 6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.412 -4.415 7.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.437 -6.413 4.778 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.741 -5.527 5.033 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.422 -8.074 8.084 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.232 -8.935 7.232 1.00 0.00 C ATOM 1226 C LYS A 133 -10.415 -10.304 7.879 1.00 0.00 C ATOM 1227 O LYS A 133 -11.503 -10.880 7.842 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.563 -9.101 5.866 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.468 -9.928 4.947 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.151 -9.602 3.487 1.00 0.00 C ATOM 1231 CE LYS A 133 -8.726 -10.054 3.159 1.00 0.00 C ATOM 1232 NZ LYS A 133 -8.560 -11.485 3.539 1.00 0.00 N ATOM 0 H LYS A 133 -8.481 -7.893 7.734 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.209 -8.470 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.373 -8.124 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.597 -9.593 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.318 -10.991 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.515 -9.711 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -10.862 -10.101 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.253 -8.531 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.527 -9.924 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.005 -9.438 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -7.758 -11.892 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -8.378 -11.554 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.428 -12.009 3.306 1.00 0.00 H new ATOM 1246 N SER A 134 -9.343 -10.819 8.472 1.00 0.00 N ATOM 1247 CA SER A 134 -9.397 -12.121 9.127 1.00 0.00 C ATOM 1248 C SER A 134 -10.332 -12.072 10.329 1.00 0.00 C ATOM 1249 O SER A 134 -10.994 -13.056 10.656 1.00 0.00 O ATOM 1250 CB SER A 134 -7.998 -12.533 9.585 1.00 0.00 C ATOM 1251 OG SER A 134 -8.046 -13.856 10.105 1.00 0.00 O ATOM 0 H SER A 134 -8.433 -10.359 8.513 1.00 0.00 H new ATOM 0 HA SER A 134 -9.775 -12.853 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.300 -12.483 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.634 -11.843 10.346 1.00 0.00 H new ATOM 0 HG SER A 134 -7.150 -14.125 10.399 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.381 -10.915 10.980 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.238 -10.739 12.146 1.00 0.00 C ATOM 1259 C LYS A 135 -12.662 -10.402 11.714 1.00 0.00 C ATOM 1260 O LYS A 135 -13.623 -10.704 12.422 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.687 -9.616 13.028 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.515 -10.146 13.862 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.818 -8.982 14.578 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.763 -8.361 13.656 1.00 0.00 C ATOM 1265 NZ LYS A 135 -7.039 -7.282 14.386 1.00 0.00 N ATOM 0 H LYS A 135 -9.841 -10.089 10.722 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.254 -11.670 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.358 -8.782 12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.471 -9.237 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.875 -10.871 14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.805 -10.667 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.551 -8.229 14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.349 -9.336 15.496 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.060 -9.125 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.238 -7.955 12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.323 -6.860 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.715 -6.549 14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.573 -7.683 15.225 1.00 0.00 H new