USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 ASN : amide:sc= -0.0176 K(o=-0.13,f=-1.3) USER MOD Set 1.2: A 126 MET CE :methyl 141:sc= -0.111 (180deg=-0.569) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 160:sc= 1.28 (180deg=-0.0217) USER MOD Set 2.2: A 118 TYR OH : rot 130:sc= 1.04 USER MOD Set 3.1: A 102 THR OG1 : rot 40:sc= 0.339 USER MOD Set 3.2: A 125 TYR OH : rot -85:sc= 0.496 USER MOD Set 3.3: A 128 TYR OH : rot -165:sc= 0.467 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 1.97 (180deg=1.95) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0.879 (180deg=0.727) USER MOD Single : A 78 MET CE :methyl -147:sc= -0.109 (180deg=-0.458) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -0.53 (180deg=-2.95!) USER MOD Single : A 83 MET CE :methyl 155:sc=-0.00231 (180deg=-0.403) USER MOD Single : A 87 SER OG : rot 90:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.98) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= -0.0453 (180deg=-0.234) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 0.758 (180deg=-1.43!) USER MOD Single : A 101 TYR OH : rot -124:sc= 1.25 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0394 F(o=-0.62,f=-0.039) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 138:sc= 1.12 (180deg=0.961) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 95:sc= 0.725 USER MOD Single : A 131 TYR OH : rot -148:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.462 -7.880 0.492 1.00 0.00 N ATOM 152 CA GLU A 71 8.148 -6.911 1.543 1.00 0.00 C ATOM 153 C GLU A 71 6.659 -6.556 1.656 1.00 0.00 C ATOM 154 O GLU A 71 6.281 -5.678 2.431 1.00 0.00 O ATOM 155 CB GLU A 71 9.050 -5.654 1.480 1.00 0.00 C ATOM 156 CG GLU A 71 9.545 -5.245 0.088 1.00 0.00 C ATOM 157 CD GLU A 71 8.460 -5.089 -0.944 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.839 -4.030 -1.027 1.00 0.00 O ATOM 159 OE2 GLU A 71 8.269 -6.033 -1.743 1.00 0.00 O ATOM 0 HA GLU A 71 8.383 -7.428 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.500 -4.816 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.919 -5.823 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.086 -4.303 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.257 -5.991 -0.263 1.00 0.00 H new ATOM 166 N LYS A 72 5.814 -7.291 0.952 1.00 0.00 N ATOM 167 CA LYS A 72 4.369 -7.110 1.039 1.00 0.00 C ATOM 168 C LYS A 72 3.869 -7.383 2.462 1.00 0.00 C ATOM 169 O LYS A 72 2.894 -6.785 2.923 1.00 0.00 O ATOM 170 CB LYS A 72 3.633 -7.999 0.031 1.00 0.00 C ATOM 171 CG LYS A 72 3.940 -9.491 0.118 1.00 0.00 C ATOM 172 CD LYS A 72 3.017 -10.299 -0.793 1.00 0.00 C ATOM 173 CE LYS A 72 3.175 -9.934 -2.274 1.00 0.00 C ATOM 174 NZ LYS A 72 2.164 -10.614 -3.111 1.00 0.00 N ATOM 0 H LYS A 72 6.105 -8.026 0.307 1.00 0.00 H new ATOM 0 HA LYS A 72 4.152 -6.071 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.560 -7.859 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.876 -7.655 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.978 -9.668 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.826 -9.829 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.223 -11.361 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.982 -10.135 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.083 -8.855 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.174 -10.209 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.310 -10.358 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.257 -11.644 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.212 -10.319 -2.814 1.00 0.00 H new ATOM 188 N ALA A 73 4.572 -8.258 3.163 1.00 0.00 N ATOM 189 CA ALA A 73 4.251 -8.582 4.542 1.00 0.00 C ATOM 190 C ALA A 73 4.543 -7.393 5.468 1.00 0.00 C ATOM 191 O ALA A 73 4.030 -7.314 6.596 1.00 0.00 O ATOM 192 CB ALA A 73 5.016 -9.810 4.984 1.00 0.00 C ATOM 0 H ALA A 73 5.378 -8.762 2.793 1.00 0.00 H new ATOM 0 HA ALA A 73 3.185 -8.798 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.766 -10.041 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.748 -10.654 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.086 -9.621 4.903 1.00 0.00 H new ATOM 198 N ALA A 74 5.385 -6.490 5.007 1.00 0.00 N ATOM 199 CA ALA A 74 5.666 -5.270 5.721 1.00 0.00 C ATOM 200 C ALA A 74 4.611 -4.238 5.352 1.00 0.00 C ATOM 201 O ALA A 74 4.041 -3.583 6.227 1.00 0.00 O ATOM 202 CB ALA A 74 7.065 -4.759 5.404 1.00 0.00 C ATOM 0 H ALA A 74 5.891 -6.585 4.127 1.00 0.00 H new ATOM 0 HA ALA A 74 5.632 -5.460 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.250 -3.838 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.801 -5.509 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.147 -4.564 4.335 1.00 0.00 H new ATOM 208 N VAL A 75 4.315 -4.161 4.048 1.00 0.00 N ATOM 209 CA VAL A 75 3.319 -3.236 3.483 1.00 0.00 C ATOM 210 C VAL A 75 1.955 -3.384 4.173 1.00 0.00 C ATOM 211 O VAL A 75 1.280 -2.390 4.440 1.00 0.00 O ATOM 212 CB VAL A 75 3.159 -3.432 1.937 1.00 0.00 C ATOM 213 CG1 VAL A 75 2.106 -2.490 1.358 1.00 0.00 C ATOM 214 CG2 VAL A 75 4.489 -3.219 1.229 1.00 0.00 C ATOM 0 H VAL A 75 4.766 -4.747 3.345 1.00 0.00 H new ATOM 0 HA VAL A 75 3.691 -2.228 3.665 1.00 0.00 H new ATOM 0 HB VAL A 75 2.826 -4.457 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.022 -2.654 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.144 -2.685 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.399 -1.457 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.357 -3.360 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.845 -2.207 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.219 -3.938 1.602 1.00 0.00 H new ATOM 224 N LYS A 76 1.583 -4.619 4.508 1.00 0.00 N ATOM 225 CA LYS A 76 0.310 -4.879 5.195 1.00 0.00 C ATOM 226 C LYS A 76 0.210 -4.197 6.568 1.00 0.00 C ATOM 227 O LYS A 76 -0.888 -3.947 7.067 1.00 0.00 O ATOM 228 CB LYS A 76 0.014 -6.373 5.325 1.00 0.00 C ATOM 229 CG LYS A 76 -0.215 -7.064 4.002 1.00 0.00 C ATOM 230 CD LYS A 76 -0.886 -8.405 4.201 1.00 0.00 C ATOM 231 CE LYS A 76 -1.166 -9.064 2.876 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.159 -10.149 2.997 1.00 0.00 N ATOM 0 H LYS A 76 2.138 -5.453 4.318 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.451 -4.432 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.846 -6.856 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.868 -6.506 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.833 -6.435 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.737 -7.202 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.248 -9.050 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.818 -8.273 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.529 -8.318 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.239 -9.465 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.574 -10.346 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.694 -11.007 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.910 -9.860 3.656 1.00 0.00 H new ATOM 246 N LYS A 77 1.342 -3.877 7.163 1.00 0.00 N ATOM 247 CA LYS A 77 1.340 -3.198 8.449 1.00 0.00 C ATOM 248 C LYS A 77 1.052 -1.737 8.242 1.00 0.00 C ATOM 249 O LYS A 77 0.346 -1.120 9.031 1.00 0.00 O ATOM 250 CB LYS A 77 2.658 -3.411 9.194 1.00 0.00 C ATOM 251 CG LYS A 77 2.558 -4.302 10.451 1.00 0.00 C ATOM 252 CD LYS A 77 1.813 -5.634 10.216 1.00 0.00 C ATOM 253 CE LYS A 77 2.405 -6.463 9.082 1.00 0.00 C ATOM 254 NZ LYS A 77 3.827 -6.826 9.305 1.00 0.00 N ATOM 0 H LYS A 77 2.268 -4.073 6.783 1.00 0.00 H new ATOM 0 HA LYS A 77 0.555 -3.625 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.379 -3.856 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.054 -2.439 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.563 -4.518 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.049 -3.746 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.833 -6.221 11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.767 -5.423 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.819 -7.374 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.321 -5.904 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.216 -7.254 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.370 -5.972 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.893 -7.507 10.088 1.00 0.00 H new ATOM 268 N MET A 78 1.551 -1.209 7.139 1.00 0.00 N ATOM 269 CA MET A 78 1.281 0.163 6.771 1.00 0.00 C ATOM 270 C MET A 78 -0.178 0.277 6.403 1.00 0.00 C ATOM 271 O MET A 78 -0.855 1.201 6.808 1.00 0.00 O ATOM 272 CB MET A 78 2.145 0.607 5.585 1.00 0.00 C ATOM 273 CG MET A 78 3.644 0.635 5.845 1.00 0.00 C ATOM 274 SD MET A 78 4.127 1.760 7.177 1.00 0.00 S ATOM 275 CE MET A 78 3.456 3.321 6.615 1.00 0.00 C ATOM 0 H MET A 78 2.147 -1.714 6.483 1.00 0.00 H new ATOM 0 HA MET A 78 1.521 0.809 7.616 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.951 -0.061 4.746 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.828 1.604 5.279 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.980 -0.372 6.091 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.158 0.928 4.929 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.104 4.134 6.941 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.395 3.320 5.527 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.460 3.461 7.034 1.00 0.00 H new ATOM 285 N ALA A 79 -0.657 -0.715 5.668 1.00 0.00 N ATOM 286 CA ALA A 79 -2.040 -0.786 5.237 1.00 0.00 C ATOM 287 C ALA A 79 -2.995 -0.708 6.432 1.00 0.00 C ATOM 288 O ALA A 79 -3.910 0.113 6.456 1.00 0.00 O ATOM 289 CB ALA A 79 -2.277 -2.067 4.447 1.00 0.00 C ATOM 0 H ALA A 79 -0.088 -1.501 5.352 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.241 0.069 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.318 -2.110 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.628 -2.079 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.054 -2.929 5.076 1.00 0.00 H new ATOM 295 N LYS A 80 -2.747 -1.521 7.448 1.00 0.00 N ATOM 296 CA LYS A 80 -3.607 -1.521 8.619 1.00 0.00 C ATOM 297 C LYS A 80 -3.426 -0.277 9.496 1.00 0.00 C ATOM 298 O LYS A 80 -4.268 0.007 10.359 1.00 0.00 O ATOM 299 CB LYS A 80 -3.563 -2.852 9.432 1.00 0.00 C ATOM 300 CG LYS A 80 -2.206 -3.283 10.038 1.00 0.00 C ATOM 301 CD LYS A 80 -1.669 -2.377 11.182 1.00 0.00 C ATOM 302 CE LYS A 80 -2.477 -2.442 12.503 1.00 0.00 C ATOM 303 NZ LYS A 80 -3.872 -1.908 12.399 1.00 0.00 N ATOM 0 H LYS A 80 -1.969 -2.180 7.485 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.621 -1.464 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.283 -2.771 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.909 -3.654 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.304 -4.300 10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.464 -3.311 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.636 -2.656 11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.656 -1.345 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.521 -3.478 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.942 -1.882 13.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.168 -1.529 13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.902 -1.150 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.517 -2.674 12.116 1.00 0.00 H new ATOM 317 N ALA A 81 -2.294 0.381 9.366 1.00 0.00 N ATOM 318 CA ALA A 81 -2.021 1.596 10.116 1.00 0.00 C ATOM 319 C ALA A 81 -2.728 2.778 9.458 1.00 0.00 C ATOM 320 O ALA A 81 -3.362 3.595 10.128 1.00 0.00 O ATOM 321 CB ALA A 81 -0.519 1.837 10.205 1.00 0.00 C ATOM 0 H ALA A 81 -1.539 0.094 8.743 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.403 1.486 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.330 2.750 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.045 0.995 10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.107 1.939 9.201 1.00 0.00 H new ATOM 327 N ILE A 82 -2.636 2.829 8.145 1.00 0.00 N ATOM 328 CA ILE A 82 -3.277 3.853 7.325 1.00 0.00 C ATOM 329 C ILE A 82 -4.791 3.701 7.359 1.00 0.00 C ATOM 330 O ILE A 82 -5.526 4.680 7.286 1.00 0.00 O ATOM 331 CB ILE A 82 -2.702 3.835 5.853 1.00 0.00 C ATOM 332 CG1 ILE A 82 -1.424 4.692 5.748 1.00 0.00 C ATOM 333 CG2 ILE A 82 -3.722 4.245 4.793 1.00 0.00 C ATOM 334 CD1 ILE A 82 -0.269 4.238 6.612 1.00 0.00 C ATOM 0 H ILE A 82 -2.104 2.149 7.601 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.046 4.832 7.744 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.449 2.796 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.097 4.701 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.673 5.720 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.257 4.209 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.569 3.560 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.068 5.259 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.580 4.906 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.569 4.257 7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.016 3.223 6.335 1.00 0.00 H new ATOM 346 N MET A 83 -5.247 2.467 7.501 1.00 0.00 N ATOM 347 CA MET A 83 -6.666 2.181 7.636 1.00 0.00 C ATOM 348 C MET A 83 -7.238 2.777 8.931 1.00 0.00 C ATOM 349 O MET A 83 -8.433 3.076 9.022 1.00 0.00 O ATOM 350 CB MET A 83 -6.947 0.674 7.532 1.00 0.00 C ATOM 351 CG MET A 83 -8.387 0.301 7.813 1.00 0.00 C ATOM 352 SD MET A 83 -8.798 -1.401 7.357 1.00 0.00 S ATOM 353 CE MET A 83 -7.718 -2.330 8.439 1.00 0.00 C ATOM 0 H MET A 83 -4.649 1.641 7.526 1.00 0.00 H new ATOM 0 HA MET A 83 -7.179 2.664 6.804 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.681 0.332 6.532 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.301 0.144 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.589 0.443 8.875 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.042 0.982 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.138 -3.321 8.609 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.736 -2.427 7.977 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.621 -1.809 9.391 1.00 0.00 H new ATOM 363 N ALA A 84 -6.390 2.972 9.900 1.00 0.00 N ATOM 364 CA ALA A 84 -6.806 3.582 11.132 1.00 0.00 C ATOM 365 C ALA A 84 -6.691 5.093 10.999 1.00 0.00 C ATOM 366 O ALA A 84 -7.675 5.821 11.123 1.00 0.00 O ATOM 367 CB ALA A 84 -5.960 3.072 12.294 1.00 0.00 C ATOM 0 H ALA A 84 -5.403 2.717 9.861 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.843 3.318 11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.289 3.545 13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.073 1.991 12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.912 3.315 12.115 1.00 0.00 H new ATOM 373 N ASP A 85 -5.508 5.544 10.646 1.00 0.00 N ATOM 374 CA ASP A 85 -5.231 6.969 10.561 1.00 0.00 C ATOM 375 C ASP A 85 -5.095 7.441 9.132 1.00 0.00 C ATOM 376 O ASP A 85 -4.184 7.027 8.413 1.00 0.00 O ATOM 377 CB ASP A 85 -3.984 7.363 11.353 1.00 0.00 C ATOM 378 CG ASP A 85 -3.557 8.788 11.042 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.328 9.708 11.274 1.00 0.00 O ATOM 380 OD2 ASP A 85 -2.418 8.978 10.544 1.00 0.00 O ATOM 0 H ASP A 85 -4.716 4.945 10.411 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.094 7.464 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.183 7.266 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.170 6.678 11.117 1.00 0.00 H new ATOM 385 N PRO A 86 -5.997 8.323 8.695 1.00 0.00 N ATOM 386 CA PRO A 86 -5.962 8.868 7.360 1.00 0.00 C ATOM 387 C PRO A 86 -5.070 10.119 7.239 1.00 0.00 C ATOM 388 O PRO A 86 -4.855 10.609 6.136 1.00 0.00 O ATOM 389 CB PRO A 86 -7.424 9.233 7.112 1.00 0.00 C ATOM 390 CG PRO A 86 -7.959 9.616 8.457 1.00 0.00 C ATOM 391 CD PRO A 86 -7.138 8.864 9.483 1.00 0.00 C ATOM 0 HA PRO A 86 -5.540 8.163 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.511 10.056 6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.976 8.392 6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.881 10.692 8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.015 9.358 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.796 9.522 10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.715 8.067 9.951 1.00 0.00 H new ATOM 399 N SER A 87 -4.543 10.607 8.356 1.00 0.00 N ATOM 400 CA SER A 87 -3.748 11.829 8.355 1.00 0.00 C ATOM 401 C SER A 87 -2.404 11.607 7.653 1.00 0.00 C ATOM 402 O SER A 87 -1.998 12.393 6.822 1.00 0.00 O ATOM 403 CB SER A 87 -3.521 12.293 9.789 1.00 0.00 C ATOM 404 OG SER A 87 -4.734 12.225 10.525 1.00 0.00 O ATOM 0 H SER A 87 -4.652 10.175 9.274 1.00 0.00 H new ATOM 0 HA SER A 87 -4.293 12.598 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.763 11.670 10.265 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.142 13.315 9.792 1.00 0.00 H new ATOM 0 HG SER A 87 -4.817 11.340 10.938 1.00 0.00 H new ATOM 410 N LYS A 88 -1.752 10.500 7.968 1.00 0.00 N ATOM 411 CA LYS A 88 -0.435 10.181 7.385 1.00 0.00 C ATOM 412 C LYS A 88 -0.603 9.452 6.062 1.00 0.00 C ATOM 413 O LYS A 88 0.364 9.154 5.365 1.00 0.00 O ATOM 414 CB LYS A 88 0.338 9.250 8.322 1.00 0.00 C ATOM 415 CG LYS A 88 -0.343 7.887 8.493 1.00 0.00 C ATOM 416 CD LYS A 88 0.495 6.904 9.276 1.00 0.00 C ATOM 417 CE LYS A 88 0.755 7.372 10.710 1.00 0.00 C ATOM 418 NZ LYS A 88 -0.501 7.535 11.483 1.00 0.00 N ATOM 0 H LYS A 88 -2.103 9.800 8.622 1.00 0.00 H new ATOM 0 HA LYS A 88 0.101 11.119 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.345 9.102 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.441 9.726 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.299 8.025 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.560 7.469 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.009 5.938 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.447 6.756 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.399 6.652 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.292 8.320 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.274 7.670 12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.020 8.365 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.090 6.685 11.372 1.00 0.00 H new ATOM 432 N ALA A 89 -1.829 9.122 5.767 1.00 0.00 N ATOM 433 CA ALA A 89 -2.148 8.226 4.695 1.00 0.00 C ATOM 434 C ALA A 89 -1.749 8.722 3.311 1.00 0.00 C ATOM 435 O ALA A 89 -1.242 7.935 2.513 1.00 0.00 O ATOM 436 CB ALA A 89 -3.608 7.859 4.738 1.00 0.00 C ATOM 0 H ALA A 89 -2.643 9.473 6.271 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.539 7.338 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.836 7.178 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.833 7.373 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.213 8.760 4.640 1.00 0.00 H new ATOM 442 N ASP A 90 -1.927 10.006 3.038 1.00 0.00 N ATOM 443 CA ASP A 90 -1.687 10.534 1.676 1.00 0.00 C ATOM 444 C ASP A 90 -0.212 10.416 1.312 1.00 0.00 C ATOM 445 O ASP A 90 0.147 9.873 0.245 1.00 0.00 O ATOM 446 CB ASP A 90 -2.162 11.977 1.537 1.00 0.00 C ATOM 447 CG ASP A 90 -2.311 12.388 0.078 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.310 12.729 -0.568 1.00 0.00 O ATOM 449 OD2 ASP A 90 -3.457 12.340 -0.428 1.00 0.00 O ATOM 0 H ASP A 90 -2.231 10.702 3.719 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.270 9.931 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.118 12.095 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.453 12.642 2.031 1.00 0.00 H new ATOM 454 N ASP A 91 0.643 10.823 2.252 1.00 0.00 N ATOM 455 CA ASP A 91 2.107 10.734 2.114 1.00 0.00 C ATOM 456 C ASP A 91 2.535 9.301 1.893 1.00 0.00 C ATOM 457 O ASP A 91 3.564 9.029 1.277 1.00 0.00 O ATOM 458 CB ASP A 91 2.815 11.238 3.377 1.00 0.00 C ATOM 459 CG ASP A 91 2.500 12.665 3.724 1.00 0.00 C ATOM 460 OD1 ASP A 91 1.436 12.894 4.340 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.321 13.550 3.409 1.00 0.00 O ATOM 0 H ASP A 91 0.342 11.227 3.139 1.00 0.00 H new ATOM 0 HA ASP A 91 2.383 11.353 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.537 10.601 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.892 11.136 3.243 1.00 0.00 H new ATOM 466 N VAL A 92 1.756 8.375 2.402 1.00 0.00 N ATOM 467 CA VAL A 92 2.050 6.977 2.261 1.00 0.00 C ATOM 468 C VAL A 92 1.549 6.448 0.918 1.00 0.00 C ATOM 469 O VAL A 92 2.222 5.623 0.304 1.00 0.00 O ATOM 470 CB VAL A 92 1.506 6.148 3.462 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.758 4.657 3.280 1.00 0.00 C ATOM 472 CG2 VAL A 92 2.175 6.624 4.744 1.00 0.00 C ATOM 0 H VAL A 92 0.903 8.574 2.924 1.00 0.00 H new ATOM 0 HA VAL A 92 3.134 6.860 2.273 1.00 0.00 H new ATOM 0 HB VAL A 92 0.428 6.299 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.364 4.114 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.261 4.312 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.830 4.477 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.797 6.046 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.253 6.487 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.954 7.680 4.899 1.00 0.00 H new ATOM 482 N TYR A 93 0.413 6.963 0.442 1.00 0.00 N ATOM 483 CA TYR A 93 -0.132 6.559 -0.865 1.00 0.00 C ATOM 484 C TYR A 93 0.836 6.957 -1.957 1.00 0.00 C ATOM 485 O TYR A 93 1.186 6.151 -2.825 1.00 0.00 O ATOM 486 CB TYR A 93 -1.476 7.233 -1.189 1.00 0.00 C ATOM 487 CG TYR A 93 -2.609 7.023 -0.213 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.780 5.831 0.478 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.532 8.033 -0.012 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.843 5.663 1.344 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.587 7.878 0.848 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.744 6.694 1.526 1.00 0.00 C ATOM 493 OH TYR A 93 -5.818 6.539 2.382 1.00 0.00 O ATOM 0 H TYR A 93 -0.148 7.657 0.936 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.283 5.481 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.303 8.305 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.803 6.880 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.074 5.026 0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.418 8.965 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.969 4.731 1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.292 8.683 0.992 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.350 7.362 2.392 1.00 0.00 H new ATOM 503 N GLN A 94 1.283 8.206 -1.892 1.00 0.00 N ATOM 504 CA GLN A 94 2.213 8.741 -2.874 1.00 0.00 C ATOM 505 C GLN A 94 3.553 8.013 -2.766 1.00 0.00 C ATOM 506 O GLN A 94 4.209 7.794 -3.744 1.00 0.00 O ATOM 507 CB GLN A 94 2.360 10.282 -2.711 1.00 0.00 C ATOM 508 CG GLN A 94 3.109 10.735 -1.468 1.00 0.00 C ATOM 509 CD GLN A 94 4.617 10.777 -1.649 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.118 11.051 -2.726 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.334 10.439 -0.616 1.00 0.00 N ATOM 0 H GLN A 94 1.013 8.868 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 94 1.822 8.569 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.873 10.676 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.365 10.726 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.758 11.727 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.869 10.063 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.879 10.216 0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.350 10.397 -0.692 1.00 0.00 H new ATOM 520 N LYS A 95 3.901 7.596 -1.547 1.00 0.00 N ATOM 521 CA LYS A 95 5.142 6.872 -1.288 1.00 0.00 C ATOM 522 C LYS A 95 5.060 5.475 -1.889 1.00 0.00 C ATOM 523 O LYS A 95 6.055 4.877 -2.252 1.00 0.00 O ATOM 524 CB LYS A 95 5.435 6.873 0.239 1.00 0.00 C ATOM 525 CG LYS A 95 6.679 6.111 0.731 1.00 0.00 C ATOM 526 CD LYS A 95 6.432 4.606 0.894 1.00 0.00 C ATOM 527 CE LYS A 95 5.380 4.309 1.957 1.00 0.00 C ATOM 528 NZ LYS A 95 5.755 4.877 3.282 1.00 0.00 N ATOM 0 H LYS A 95 3.331 7.751 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 95 5.984 7.367 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.528 7.910 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.565 6.458 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.496 6.266 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.999 6.527 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.112 4.186 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.366 4.113 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.421 4.721 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.250 3.231 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.140 4.475 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.746 4.642 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.641 5.911 3.262 1.00 0.00 H new ATOM 542 N TRP A 96 3.872 4.951 -1.979 1.00 0.00 N ATOM 543 CA TRP A 96 3.702 3.692 -2.657 1.00 0.00 C ATOM 544 C TRP A 96 3.897 3.885 -4.138 1.00 0.00 C ATOM 545 O TRP A 96 4.592 3.106 -4.777 1.00 0.00 O ATOM 546 CB TRP A 96 2.375 2.990 -2.331 1.00 0.00 C ATOM 547 CG TRP A 96 2.328 2.337 -0.969 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.328 1.620 -0.368 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.207 2.283 -0.071 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.907 1.153 0.853 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.610 1.540 1.056 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.090 2.796 -0.105 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.760 1.297 2.134 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.932 2.554 0.966 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.503 1.811 2.070 1.00 0.00 C ATOM 0 H TRP A 96 3.019 5.364 -1.601 1.00 0.00 H new ATOM 0 HA TRP A 96 4.469 3.013 -2.283 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.567 3.719 -2.398 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.184 2.231 -3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.306 1.447 -0.793 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.470 0.606 1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.431 3.372 -0.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.089 0.723 2.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.938 2.946 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.185 1.640 2.890 1.00 0.00 H new ATOM 566 N ALA A 97 3.349 4.966 -4.658 1.00 0.00 N ATOM 567 CA ALA A 97 3.514 5.314 -6.058 1.00 0.00 C ATOM 568 C ALA A 97 4.985 5.625 -6.352 1.00 0.00 C ATOM 569 O ALA A 97 5.505 5.258 -7.401 1.00 0.00 O ATOM 570 CB ALA A 97 2.628 6.497 -6.423 1.00 0.00 C ATOM 0 H ALA A 97 2.780 5.625 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 97 3.210 4.464 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.765 6.743 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.584 6.239 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.899 7.357 -5.811 1.00 0.00 H new ATOM 576 N ASP A 98 5.652 6.257 -5.387 1.00 0.00 N ATOM 577 CA ASP A 98 7.083 6.605 -5.489 1.00 0.00 C ATOM 578 C ASP A 98 7.969 5.339 -5.478 1.00 0.00 C ATOM 579 O ASP A 98 9.091 5.334 -5.982 1.00 0.00 O ATOM 580 CB ASP A 98 7.482 7.634 -4.379 1.00 0.00 C ATOM 581 CG ASP A 98 8.605 7.182 -3.457 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.800 7.381 -3.779 1.00 0.00 O ATOM 583 OD2 ASP A 98 8.326 6.578 -2.382 1.00 0.00 O ATOM 0 H ASP A 98 5.222 6.546 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 98 7.256 7.091 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.779 8.566 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.602 7.853 -3.775 1.00 0.00 H new ATOM 588 N LYS A 99 7.443 4.260 -4.928 1.00 0.00 N ATOM 589 CA LYS A 99 8.139 2.978 -4.938 1.00 0.00 C ATOM 590 C LYS A 99 7.706 2.135 -6.126 1.00 0.00 C ATOM 591 O LYS A 99 8.140 0.992 -6.283 1.00 0.00 O ATOM 592 CB LYS A 99 7.925 2.213 -3.637 1.00 0.00 C ATOM 593 CG LYS A 99 8.510 2.846 -2.365 1.00 0.00 C ATOM 594 CD LYS A 99 10.062 2.790 -2.283 1.00 0.00 C ATOM 595 CE LYS A 99 10.789 3.894 -3.073 1.00 0.00 C ATOM 596 NZ LYS A 99 10.544 5.233 -2.514 1.00 0.00 N ATOM 0 H LYS A 99 6.534 4.242 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 99 9.205 3.188 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.853 2.082 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.355 1.218 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.191 3.887 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.093 2.339 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.359 2.855 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.397 1.820 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.860 3.693 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.461 3.871 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.686 5.950 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.567 5.288 -2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.206 5.409 -1.731 1.00 0.00 H new ATOM 610 N GLY A 100 6.840 2.693 -6.937 1.00 0.00 N ATOM 611 CA GLY A 100 6.413 2.030 -8.142 1.00 0.00 C ATOM 612 C GLY A 100 5.184 1.183 -7.942 1.00 0.00 C ATOM 613 O GLY A 100 4.737 0.491 -8.862 1.00 0.00 O ATOM 0 H GLY A 100 6.417 3.608 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.212 2.777 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.224 1.403 -8.512 1.00 0.00 H new ATOM 617 N TYR A 101 4.617 1.222 -6.759 1.00 0.00 N ATOM 618 CA TYR A 101 3.448 0.429 -6.500 1.00 0.00 C ATOM 619 C TYR A 101 2.229 1.203 -6.940 1.00 0.00 C ATOM 620 O TYR A 101 1.901 2.244 -6.377 1.00 0.00 O ATOM 621 CB TYR A 101 3.335 0.049 -5.015 1.00 0.00 C ATOM 622 CG TYR A 101 4.588 -0.579 -4.438 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.361 -1.461 -5.183 1.00 0.00 C ATOM 624 CD2 TYR A 101 5.009 -0.267 -3.155 1.00 0.00 C ATOM 625 CE1 TYR A 101 6.508 -2.012 -4.663 1.00 0.00 C ATOM 626 CE2 TYR A 101 6.161 -0.815 -2.628 1.00 0.00 C ATOM 627 CZ TYR A 101 6.904 -1.688 -3.389 1.00 0.00 C ATOM 628 OH TYR A 101 8.056 -2.240 -2.882 1.00 0.00 O ATOM 0 H TYR A 101 4.943 1.786 -5.974 1.00 0.00 H new ATOM 0 HA TYR A 101 3.524 -0.502 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.092 0.943 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.504 -0.645 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.056 -1.718 -6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.425 0.417 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.096 -2.698 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.477 -0.561 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 101 7.854 -2.708 -2.045 1.00 0.00 H new ATOM 638 N THR A 102 1.578 0.704 -7.948 1.00 0.00 N ATOM 639 CA THR A 102 0.414 1.338 -8.494 1.00 0.00 C ATOM 640 C THR A 102 -0.831 0.480 -8.207 1.00 0.00 C ATOM 641 O THR A 102 -0.699 -0.714 -7.831 1.00 0.00 O ATOM 642 CB THR A 102 0.605 1.600 -10.027 1.00 0.00 C ATOM 643 OG1 THR A 102 -0.540 2.245 -10.588 1.00 0.00 O ATOM 644 CG2 THR A 102 0.892 0.308 -10.783 1.00 0.00 C ATOM 0 H THR A 102 1.841 -0.162 -8.419 1.00 0.00 H new ATOM 0 HA THR A 102 0.269 2.307 -8.016 1.00 0.00 H new ATOM 0 HB THR A 102 1.466 2.260 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.879 2.915 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.019 0.527 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.804 -0.146 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.059 -0.383 -10.653 1.00 0.00 H new ATOM 652 N LEU A 103 -2.014 1.070 -8.377 1.00 0.00 N ATOM 653 CA LEU A 103 -3.288 0.411 -8.099 1.00 0.00 C ATOM 654 C LEU A 103 -3.606 -0.671 -9.125 1.00 0.00 C ATOM 655 O LEU A 103 -4.287 -0.438 -10.112 1.00 0.00 O ATOM 656 CB LEU A 103 -4.439 1.428 -7.996 1.00 0.00 C ATOM 657 CG LEU A 103 -5.830 0.861 -7.671 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.858 0.233 -6.288 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.889 1.942 -7.793 1.00 0.00 C ATOM 0 H LEU A 103 -2.115 2.027 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.185 -0.078 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.181 2.158 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.503 1.967 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.052 0.078 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.855 -0.159 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.132 -0.579 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.607 0.986 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.867 1.521 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.666 2.750 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.896 2.332 -8.811 1.00 0.00 H new ATOM 671 N THR A 104 -3.009 -1.807 -8.887 1.00 0.00 N ATOM 672 CA THR A 104 -3.150 -3.033 -9.637 1.00 0.00 C ATOM 673 C THR A 104 -2.065 -3.981 -9.116 1.00 0.00 C ATOM 674 O THR A 104 -2.317 -5.134 -8.804 1.00 0.00 O ATOM 675 CB THR A 104 -3.069 -2.849 -11.218 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.176 -4.107 -11.887 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.796 -2.135 -11.674 1.00 0.00 C ATOM 0 H THR A 104 -2.362 -1.911 -8.106 1.00 0.00 H new ATOM 0 HA THR A 104 -4.151 -3.437 -9.482 1.00 0.00 H new ATOM 0 HB THR A 104 -3.914 -2.216 -11.488 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.125 -3.968 -12.856 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.801 -2.041 -12.760 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.754 -1.143 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.924 -2.712 -11.364 1.00 0.00 H new ATOM 685 N GLN A 105 -0.868 -3.427 -8.909 1.00 0.00 N ATOM 686 CA GLN A 105 0.243 -4.195 -8.375 1.00 0.00 C ATOM 687 C GLN A 105 0.157 -4.203 -6.868 1.00 0.00 C ATOM 688 O GLN A 105 0.361 -5.223 -6.234 1.00 0.00 O ATOM 689 CB GLN A 105 1.596 -3.613 -8.815 1.00 0.00 C ATOM 690 CG GLN A 105 1.780 -3.501 -10.327 1.00 0.00 C ATOM 691 CD GLN A 105 1.616 -4.823 -11.077 1.00 0.00 C ATOM 692 OE1 GLN A 105 1.975 -5.927 -10.458 1.00 0.00 O flip ATOM 693 NE2 GLN A 105 1.185 -4.840 -12.212 1.00 0.00 N flip ATOM 0 H GLN A 105 -0.650 -2.450 -9.105 1.00 0.00 H new ATOM 0 HA GLN A 105 0.177 -5.211 -8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.711 -2.623 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.393 -4.237 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.059 -2.783 -10.717 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.773 -3.100 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.914 -3.969 -12.668 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.094 -5.726 -12.710 1.00 0.00 H new ATOM 702 N LEU A 106 -0.197 -3.043 -6.307 1.00 0.00 N ATOM 703 CA LEU A 106 -0.350 -2.861 -4.859 1.00 0.00 C ATOM 704 C LEU A 106 -1.440 -3.817 -4.337 1.00 0.00 C ATOM 705 O LEU A 106 -1.384 -4.299 -3.201 1.00 0.00 O ATOM 706 CB LEU A 106 -0.675 -1.353 -4.579 1.00 0.00 C ATOM 707 CG LEU A 106 -0.769 -0.835 -3.111 1.00 0.00 C ATOM 708 CD1 LEU A 106 -2.059 -1.256 -2.420 1.00 0.00 C ATOM 709 CD2 LEU A 106 0.449 -1.261 -2.298 1.00 0.00 C ATOM 0 H LEU A 106 -0.387 -2.199 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 106 0.569 -3.107 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.086 -0.758 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.626 -1.131 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.783 0.253 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.070 -0.868 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.912 -0.858 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.119 -2.344 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.356 -0.886 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.512 -2.349 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.351 -0.853 -2.754 1.00 0.00 H new ATOM 721 N SER A 107 -2.374 -4.134 -5.212 1.00 0.00 N ATOM 722 CA SER A 107 -3.459 -5.027 -4.922 1.00 0.00 C ATOM 723 C SER A 107 -2.950 -6.456 -4.622 1.00 0.00 C ATOM 724 O SER A 107 -3.602 -7.205 -3.914 1.00 0.00 O ATOM 725 CB SER A 107 -4.404 -5.024 -6.112 1.00 0.00 C ATOM 726 OG SER A 107 -4.703 -3.679 -6.485 1.00 0.00 O ATOM 0 H SER A 107 -2.393 -3.765 -6.163 1.00 0.00 H new ATOM 0 HA SER A 107 -3.983 -4.688 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.950 -5.552 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.322 -5.555 -5.861 1.00 0.00 H new ATOM 0 HG SER A 107 -5.311 -3.680 -7.253 1.00 0.00 H new ATOM 732 N ASP A 108 -1.783 -6.818 -5.156 1.00 0.00 N ATOM 733 CA ASP A 108 -1.194 -8.140 -4.892 1.00 0.00 C ATOM 734 C ASP A 108 -0.402 -8.141 -3.576 1.00 0.00 C ATOM 735 O ASP A 108 -0.246 -9.191 -2.914 1.00 0.00 O ATOM 736 CB ASP A 108 -0.315 -8.620 -6.059 1.00 0.00 C ATOM 737 CG ASP A 108 0.350 -9.954 -5.764 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.353 -10.997 -5.747 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.563 -9.977 -5.502 1.00 0.00 O ATOM 0 H ASP A 108 -1.227 -6.223 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.020 -8.844 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.925 -8.711 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.450 -7.872 -6.267 1.00 0.00 H new ATOM 744 N PHE A 109 0.086 -6.971 -3.191 1.00 0.00 N ATOM 745 CA PHE A 109 0.824 -6.809 -1.933 1.00 0.00 C ATOM 746 C PHE A 109 -0.094 -7.042 -0.750 1.00 0.00 C ATOM 747 O PHE A 109 0.238 -7.791 0.177 1.00 0.00 O ATOM 748 CB PHE A 109 1.508 -5.430 -1.842 1.00 0.00 C ATOM 749 CG PHE A 109 2.697 -5.276 -2.759 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.528 -5.053 -4.108 1.00 0.00 C ATOM 751 CD2 PHE A 109 3.987 -5.374 -2.264 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.612 -4.927 -4.949 1.00 0.00 C ATOM 753 CE2 PHE A 109 5.078 -5.254 -3.098 1.00 0.00 C ATOM 754 CZ PHE A 109 4.890 -5.030 -4.443 1.00 0.00 C ATOM 0 H PHE A 109 -0.013 -6.111 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 109 1.615 -7.559 -1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.777 -4.656 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.830 -5.262 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.530 -4.976 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.140 -5.547 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.461 -4.748 -6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.078 -5.336 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.742 -4.935 -5.100 1.00 0.00 H new ATOM 764 N LEU A 110 -1.246 -6.424 -0.798 1.00 0.00 N ATOM 765 CA LEU A 110 -2.264 -6.618 0.217 1.00 0.00 C ATOM 766 C LEU A 110 -3.011 -7.912 -0.053 1.00 0.00 C ATOM 767 O LEU A 110 -3.419 -8.621 0.868 1.00 0.00 O ATOM 768 CB LEU A 110 -3.252 -5.435 0.241 1.00 0.00 C ATOM 769 CG LEU A 110 -2.808 -4.133 0.956 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.509 -3.574 0.399 1.00 0.00 C ATOM 771 CD2 LEU A 110 -3.905 -3.095 0.851 1.00 0.00 C ATOM 0 H LEU A 110 -1.510 -5.773 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.777 -6.673 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.497 -5.183 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.173 -5.778 0.713 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.626 -4.382 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.245 -2.663 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.714 -4.310 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.635 -3.348 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.590 -2.181 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.104 -2.881 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.812 -3.475 1.322 1.00 0.00 H new ATOM 783 N LYS A 111 -3.126 -8.221 -1.330 1.00 0.00 N ATOM 784 CA LYS A 111 -3.882 -9.346 -1.865 1.00 0.00 C ATOM 785 C LYS A 111 -5.319 -9.021 -1.561 1.00 0.00 C ATOM 786 O LYS A 111 -6.104 -9.812 -1.009 1.00 0.00 O ATOM 787 CB LYS A 111 -3.415 -10.712 -1.310 1.00 0.00 C ATOM 788 CG LYS A 111 -3.666 -11.882 -2.267 1.00 0.00 C ATOM 789 CD LYS A 111 -2.953 -11.639 -3.604 1.00 0.00 C ATOM 790 CE LYS A 111 -3.031 -12.829 -4.544 1.00 0.00 C ATOM 791 NZ LYS A 111 -2.413 -12.517 -5.860 1.00 0.00 N ATOM 0 H LYS A 111 -2.675 -7.671 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.727 -9.467 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.349 -10.659 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.929 -10.907 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.309 -12.810 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.737 -12.001 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.393 -10.769 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.906 -11.402 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.525 -13.684 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.073 -13.115 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.847 -13.329 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.160 -12.321 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.799 -11.683 -5.766 1.00 0.00 H new ATOM 905 N TYR A 118 -9.588 -5.544 3.341 1.00 0.00 N ATOM 906 CA TYR A 118 -8.697 -4.418 3.040 1.00 0.00 C ATOM 907 C TYR A 118 -9.519 -3.332 2.388 1.00 0.00 C ATOM 908 O TYR A 118 -9.009 -2.473 1.693 1.00 0.00 O ATOM 909 CB TYR A 118 -7.502 -4.837 2.140 1.00 0.00 C ATOM 910 CG TYR A 118 -6.631 -5.940 2.724 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.889 -5.726 3.881 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.569 -7.197 2.133 1.00 0.00 C ATOM 913 CE1 TYR A 118 -5.109 -6.729 4.426 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.797 -8.203 2.676 1.00 0.00 C ATOM 915 CZ TYR A 118 -5.067 -7.966 3.820 1.00 0.00 C ATOM 916 OH TYR A 118 -4.290 -8.981 4.367 1.00 0.00 O ATOM 0 HA TYR A 118 -8.257 -4.052 3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.888 -5.168 1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.881 -3.962 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.923 -4.760 4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.135 -7.389 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.535 -6.544 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.765 -9.174 2.205 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.828 -9.795 4.452 1.00 0.00 H new ATOM 926 N ASP A 119 -10.795 -3.380 2.710 1.00 0.00 N ATOM 927 CA ASP A 119 -11.861 -2.514 2.184 1.00 0.00 C ATOM 928 C ASP A 119 -11.463 -1.038 2.254 1.00 0.00 C ATOM 929 O ASP A 119 -11.240 -0.376 1.232 1.00 0.00 O ATOM 930 CB ASP A 119 -13.082 -2.725 3.088 1.00 0.00 C ATOM 931 CG ASP A 119 -14.394 -2.234 2.529 1.00 0.00 C ATOM 932 OD1 ASP A 119 -14.495 -1.092 2.052 1.00 0.00 O ATOM 933 OD2 ASP A 119 -15.358 -3.030 2.548 1.00 0.00 O ATOM 0 H ASP A 119 -11.149 -4.059 3.384 1.00 0.00 H new ATOM 0 HA ASP A 119 -12.059 -2.764 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.174 -3.790 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.901 -2.222 4.038 1.00 0.00 H new ATOM 938 N ARG A 120 -11.273 -0.579 3.478 1.00 0.00 N ATOM 939 CA ARG A 120 -10.993 0.810 3.783 1.00 0.00 C ATOM 940 C ARG A 120 -9.639 1.233 3.202 1.00 0.00 C ATOM 941 O ARG A 120 -9.504 2.337 2.690 1.00 0.00 O ATOM 942 CB ARG A 120 -11.034 0.983 5.328 1.00 0.00 C ATOM 943 CG ARG A 120 -11.047 2.423 5.924 1.00 0.00 C ATOM 944 CD ARG A 120 -9.781 3.220 5.631 1.00 0.00 C ATOM 945 NE ARG A 120 -9.577 4.325 6.572 1.00 0.00 N ATOM 946 CZ ARG A 120 -8.501 5.126 6.566 1.00 0.00 C ATOM 947 NH1 ARG A 120 -7.720 5.193 5.478 1.00 0.00 N ATOM 948 NH2 ARG A 120 -8.223 5.876 7.636 1.00 0.00 N ATOM 0 H ARG A 120 -11.310 -1.176 4.305 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.743 1.456 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.921 0.467 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.170 0.463 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.906 2.963 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.183 2.358 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.920 2.553 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.833 3.617 4.617 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.297 4.495 7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.944 4.635 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.902 5.802 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.829 5.839 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.405 6.486 7.633 1.00 0.00 H new ATOM 962 N VAL A 121 -8.649 0.365 3.275 1.00 0.00 N ATOM 963 CA VAL A 121 -7.318 0.737 2.822 1.00 0.00 C ATOM 964 C VAL A 121 -7.219 0.768 1.292 1.00 0.00 C ATOM 965 O VAL A 121 -6.611 1.669 0.735 1.00 0.00 O ATOM 966 CB VAL A 121 -6.183 -0.131 3.459 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.282 -1.588 3.083 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.811 0.438 3.127 1.00 0.00 C ATOM 0 H VAL A 121 -8.734 -0.585 3.636 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.157 1.754 3.181 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.319 -0.085 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.469 -2.141 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.237 -1.987 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.211 -1.690 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.040 -0.184 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.675 0.452 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.734 1.453 3.516 1.00 0.00 H new ATOM 978 N TYR A 122 -7.867 -0.175 0.631 1.00 0.00 N ATOM 979 CA TYR A 122 -7.849 -0.258 -0.822 1.00 0.00 C ATOM 980 C TYR A 122 -8.557 0.954 -1.408 1.00 0.00 C ATOM 981 O TYR A 122 -7.999 1.682 -2.229 1.00 0.00 O ATOM 982 CB TYR A 122 -8.540 -1.553 -1.272 1.00 0.00 C ATOM 983 CG TYR A 122 -8.567 -1.781 -2.764 1.00 0.00 C ATOM 984 CD1 TYR A 122 -7.532 -2.438 -3.402 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.640 -1.351 -3.527 1.00 0.00 C ATOM 986 CE1 TYR A 122 -7.563 -2.664 -4.759 1.00 0.00 C ATOM 987 CE2 TYR A 122 -9.681 -1.565 -4.881 1.00 0.00 C ATOM 988 CZ TYR A 122 -8.639 -2.225 -5.496 1.00 0.00 C ATOM 989 OH TYR A 122 -8.674 -2.457 -6.848 1.00 0.00 O ATOM 0 H TYR A 122 -8.419 -0.904 1.083 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.819 -0.269 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.037 -2.397 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.566 -1.546 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.685 -2.780 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.460 -0.838 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.748 -3.182 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -10.524 -1.219 -5.461 1.00 0.00 H new ATOM 0 HH TYR A 122 -9.500 -2.086 -7.222 1.00 0.00 H new ATOM 999 N ASN A 123 -9.766 1.173 -0.942 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.590 2.303 -1.371 1.00 0.00 C ATOM 1001 C ASN A 123 -9.963 3.625 -0.966 1.00 0.00 C ATOM 1002 O ASN A 123 -10.082 4.621 -1.671 1.00 0.00 O ATOM 1003 CB ASN A 123 -12.012 2.173 -0.810 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.792 1.052 -1.477 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -12.643 0.805 -2.666 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -13.573 0.327 -0.713 1.00 0.00 N ATOM 0 H ASN A 123 -10.217 0.574 -0.250 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.648 2.287 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.962 1.990 0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.543 3.115 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -14.077 -0.468 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -13.677 0.558 0.275 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.269 3.620 0.161 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.583 4.797 0.620 1.00 0.00 C ATOM 1015 C GLY A 124 -7.415 5.128 -0.275 1.00 0.00 C ATOM 1016 O GLY A 124 -7.240 6.278 -0.673 1.00 0.00 O ATOM 0 H GLY A 124 -9.171 2.807 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.275 5.638 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.231 4.642 1.640 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.632 4.114 -0.601 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.484 4.241 -1.487 1.00 0.00 C ATOM 1022 C TYR A 125 -5.919 4.652 -2.887 1.00 0.00 C ATOM 1023 O TYR A 125 -5.259 5.455 -3.523 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.680 2.922 -1.506 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.600 2.832 -2.571 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.452 3.615 -2.517 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.738 1.951 -3.626 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.478 3.518 -3.498 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.775 1.847 -4.601 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.651 2.628 -4.537 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.706 2.527 -5.530 1.00 0.00 O ATOM 0 H TYR A 125 -6.776 3.166 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.834 5.029 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.216 2.785 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.375 2.094 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.318 4.308 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.621 1.331 -3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.592 4.134 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.904 1.151 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.878 3.206 -6.215 1.00 0.00 H new ATOM 1041 N MET A 126 -7.054 4.123 -3.328 1.00 0.00 N ATOM 1042 CA MET A 126 -7.643 4.409 -4.649 1.00 0.00 C ATOM 1043 C MET A 126 -7.747 5.924 -4.924 1.00 0.00 C ATOM 1044 O MET A 126 -7.579 6.371 -6.063 1.00 0.00 O ATOM 1045 CB MET A 126 -9.026 3.734 -4.761 1.00 0.00 C ATOM 1046 CG MET A 126 -9.746 3.971 -6.084 1.00 0.00 C ATOM 1047 SD MET A 126 -11.318 3.087 -6.204 1.00 0.00 S ATOM 1048 CE MET A 126 -12.236 3.807 -4.839 1.00 0.00 C ATOM 0 H MET A 126 -7.608 3.470 -2.774 1.00 0.00 H new ATOM 0 HA MET A 126 -6.979 3.997 -5.409 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.904 2.661 -4.617 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.658 4.095 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.926 5.039 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.098 3.661 -6.904 1.00 0.00 H new ATOM 0 HE1 MET A 126 -13.276 3.948 -5.134 1.00 0.00 H new ATOM 0 HE2 MET A 126 -12.191 3.140 -3.978 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.800 4.770 -4.575 1.00 0.00 H new ATOM 1058 N THR A 127 -7.952 6.691 -3.870 1.00 0.00 N ATOM 1059 CA THR A 127 -8.068 8.142 -3.933 1.00 0.00 C ATOM 1060 C THR A 127 -6.793 8.801 -4.542 1.00 0.00 C ATOM 1061 O THR A 127 -6.866 9.865 -5.143 1.00 0.00 O ATOM 1062 CB THR A 127 -8.296 8.688 -2.509 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.279 7.868 -1.855 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.797 10.128 -2.544 1.00 0.00 C ATOM 0 H THR A 127 -8.045 6.318 -2.925 1.00 0.00 H new ATOM 0 HA THR A 127 -8.910 8.388 -4.580 1.00 0.00 H new ATOM 0 HB THR A 127 -7.349 8.666 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.829 7.183 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.949 10.485 -1.525 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.061 10.757 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.741 10.172 -3.088 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.642 8.115 -4.451 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.371 8.676 -4.929 1.00 0.00 C ATOM 1074 C TYR A 128 -4.365 8.793 -6.473 1.00 0.00 C ATOM 1075 O TYR A 128 -3.510 9.467 -7.047 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.159 7.817 -4.460 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.681 6.798 -5.490 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.450 5.699 -5.829 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.470 6.974 -6.149 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.043 4.817 -6.785 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -1.051 6.083 -7.108 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.845 5.009 -7.423 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.447 4.131 -8.394 1.00 0.00 O ATOM 0 H TYR A 128 -5.567 7.179 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.274 9.673 -4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.331 8.481 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.432 7.292 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.392 5.537 -5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.849 7.823 -5.904 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.662 3.970 -7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -0.105 6.227 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.493 4.258 -8.579 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.338 8.122 -7.132 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.433 8.077 -8.605 1.00 0.00 C ATOM 1095 C ARG A 129 -5.642 9.449 -9.255 1.00 0.00 C ATOM 1096 O ARG A 129 -5.656 9.551 -10.478 1.00 0.00 O ATOM 1097 CB ARG A 129 -6.544 7.111 -9.096 1.00 0.00 C ATOM 1098 CG ARG A 129 -6.249 5.599 -9.006 1.00 0.00 C ATOM 1099 CD ARG A 129 -4.931 5.218 -9.694 1.00 0.00 C ATOM 1100 NE ARG A 129 -4.701 5.989 -10.924 1.00 0.00 N ATOM 1101 CZ ARG A 129 -3.589 6.713 -11.114 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -2.509 6.445 -10.399 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -3.542 7.652 -12.047 1.00 0.00 N ATOM 0 H ARG A 129 -6.075 7.600 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.460 7.702 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.448 7.314 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.766 7.351 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.208 5.301 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.068 5.044 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.103 5.382 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.942 4.154 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.410 5.973 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.527 5.693 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.658 6.990 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -4.358 7.831 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.689 8.196 -12.181 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.833 10.457 -8.445 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.033 11.821 -8.919 1.00 0.00 C ATOM 1119 C ASP A 130 -4.695 12.566 -9.034 1.00 0.00 C ATOM 1120 O ASP A 130 -4.513 13.403 -9.908 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.970 12.558 -7.945 1.00 0.00 C ATOM 1122 CG ASP A 130 -7.224 14.015 -8.310 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.104 14.270 -9.164 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -6.580 14.900 -7.702 1.00 0.00 O ATOM 0 H ASP A 130 -5.856 10.365 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.482 11.789 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.924 12.032 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.542 12.515 -6.943 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.720 12.185 -8.198 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.480 12.961 -8.129 1.00 0.00 C ATOM 1131 C TYR A 131 -1.451 12.525 -9.172 1.00 0.00 C ATOM 1132 O TYR A 131 -0.746 13.364 -9.737 1.00 0.00 O ATOM 1133 CB TYR A 131 -1.815 12.805 -6.754 1.00 0.00 C ATOM 1134 CG TYR A 131 -2.692 13.057 -5.548 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -3.105 14.338 -5.200 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -3.068 12.005 -4.733 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -3.873 14.552 -4.066 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -3.837 12.206 -3.612 1.00 0.00 C ATOM 1139 CZ TYR A 131 -4.237 13.476 -3.278 1.00 0.00 C ATOM 1140 OH TYR A 131 -4.979 13.673 -2.139 1.00 0.00 O ATOM 0 H TYR A 131 -3.762 11.374 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 131 -2.772 13.994 -8.316 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -1.416 11.793 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.966 13.486 -6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -2.824 15.176 -5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -2.750 11.004 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -4.185 15.551 -3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.126 11.367 -2.996 1.00 0.00 H new ATOM 0 HH TYR A 131 -4.733 13.003 -1.468 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.361 11.224 -9.419 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.363 10.655 -10.340 1.00 0.00 C ATOM 1152 C VAL A 132 -0.937 9.368 -10.902 1.00 0.00 C ATOM 1153 O VAL A 132 -0.770 8.313 -10.256 1.00 0.00 O ATOM 1154 CB VAL A 132 1.019 10.295 -9.636 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.033 9.775 -10.653 1.00 0.00 C ATOM 1156 CG2 VAL A 132 1.625 11.467 -8.864 1.00 0.00 C ATOM 1157 OXT VAL A 132 -1.596 9.394 -11.949 1.00 0.00 O ATOM 0 H VAL A 132 -1.972 10.528 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.157 11.407 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 132 0.788 9.513 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 132 2.968 9.537 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 132 1.641 8.878 -11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 132 2.215 10.539 -11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.565 11.155 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 132 1.810 12.296 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.933 11.787 -8.085 1.00 0.00 H new