USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=21 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 104 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= -0.765 K(o=-0.76,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 138:sc= 1.76 (180deg=0.969) USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 1.13 (180deg=0.468) USER MOD Single : A 78 MET CE :methyl -163:sc= 0 (180deg=-0.0108) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.16) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.787 (180deg=-1.7) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= 0.957 (180deg=0.502) USER MOD Single : A 99 LYS NZ :NH3+ -109:sc= 0.0058! (180deg=-2.93!) USER MOD Single : A 101 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc=0.000335 USER MOD Single : A 107 SER OG : rot 80:sc= 1.1 USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0.246 (180deg=0.135) USER MOD Single : A 118 TYR OH : rot 165:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 125 TYR OH : rot -149:sc= 1.09 USER MOD Single : A 126 MET CE :methyl 163:sc= -0.11 (180deg=-0.527) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.00837 USER MOD Single : A 128 TYR OH : rot -116:sc= -1.76! USER MOD Single : A 131 TYR OH : rot 84:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.819 -6.675 0.508 1.00 0.00 N ATOM 152 CA GLU A 71 6.918 -5.688 1.049 1.00 0.00 C ATOM 153 C GLU A 71 5.615 -6.384 1.370 1.00 0.00 C ATOM 154 O GLU A 71 4.787 -5.877 2.084 1.00 0.00 O ATOM 155 CB GLU A 71 6.640 -4.554 0.048 1.00 0.00 C ATOM 156 CG GLU A 71 7.867 -3.908 -0.574 1.00 0.00 C ATOM 157 CD GLU A 71 8.518 -4.764 -1.640 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.942 -5.815 -2.051 1.00 0.00 O ATOM 159 OE2 GLU A 71 9.556 -4.397 -2.132 1.00 0.00 O ATOM 0 HA GLU A 71 7.373 -5.244 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.014 -4.947 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.062 -3.781 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.583 -2.950 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.596 -3.699 0.209 1.00 0.00 H new ATOM 166 N LYS A 72 5.484 -7.587 0.842 1.00 0.00 N ATOM 167 CA LYS A 72 4.304 -8.441 1.004 1.00 0.00 C ATOM 168 C LYS A 72 3.887 -8.615 2.484 1.00 0.00 C ATOM 169 O LYS A 72 2.693 -8.723 2.805 1.00 0.00 O ATOM 170 CB LYS A 72 4.559 -9.805 0.318 1.00 0.00 C ATOM 171 CG LYS A 72 5.802 -10.556 0.814 1.00 0.00 C ATOM 172 CD LYS A 72 6.092 -11.817 -0.013 1.00 0.00 C ATOM 173 CE LYS A 72 6.792 -11.503 -1.350 1.00 0.00 C ATOM 174 NZ LYS A 72 8.268 -11.252 -1.186 1.00 0.00 N ATOM 0 H LYS A 72 6.212 -8.016 0.271 1.00 0.00 H new ATOM 0 HA LYS A 72 3.462 -7.947 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.685 -10.439 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.655 -9.643 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.665 -9.892 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.663 -10.834 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.717 -12.493 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.156 -12.340 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.643 -12.335 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.326 -10.628 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.690 -11.046 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.414 -10.441 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.721 -12.096 -0.779 1.00 0.00 H new ATOM 188 N ALA A 73 4.865 -8.669 3.365 1.00 0.00 N ATOM 189 CA ALA A 73 4.608 -8.775 4.788 1.00 0.00 C ATOM 190 C ALA A 73 4.546 -7.390 5.470 1.00 0.00 C ATOM 191 O ALA A 73 3.998 -7.243 6.579 1.00 0.00 O ATOM 192 CB ALA A 73 5.652 -9.656 5.434 1.00 0.00 C ATOM 0 H ALA A 73 5.854 -8.641 3.118 1.00 0.00 H new ATOM 0 HA ALA A 73 3.628 -9.233 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.453 -9.732 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.617 -10.650 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.640 -9.223 5.278 1.00 0.00 H new ATOM 198 N ALA A 74 5.129 -6.400 4.826 1.00 0.00 N ATOM 199 CA ALA A 74 5.215 -5.044 5.361 1.00 0.00 C ATOM 200 C ALA A 74 3.977 -4.204 5.043 1.00 0.00 C ATOM 201 O ALA A 74 3.436 -3.540 5.924 1.00 0.00 O ATOM 202 CB ALA A 74 6.475 -4.355 4.857 1.00 0.00 C ATOM 0 H ALA A 74 5.562 -6.508 3.909 1.00 0.00 H new ATOM 0 HA ALA A 74 5.263 -5.132 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.525 -3.345 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.351 -4.919 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.452 -4.306 3.768 1.00 0.00 H new ATOM 208 N VAL A 75 3.519 -4.269 3.793 1.00 0.00 N ATOM 209 CA VAL A 75 2.396 -3.457 3.295 1.00 0.00 C ATOM 210 C VAL A 75 1.116 -3.660 4.106 1.00 0.00 C ATOM 211 O VAL A 75 0.360 -2.749 4.273 1.00 0.00 O ATOM 212 CB VAL A 75 2.130 -3.677 1.764 1.00 0.00 C ATOM 213 CG1 VAL A 75 0.924 -2.878 1.283 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.348 -3.272 0.954 1.00 0.00 C ATOM 0 H VAL A 75 3.916 -4.890 3.088 1.00 0.00 H new ATOM 0 HA VAL A 75 2.703 -2.420 3.429 1.00 0.00 H new ATOM 0 HB VAL A 75 1.924 -4.738 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.771 -3.056 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.037 -3.191 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.100 -1.816 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.149 -3.430 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.568 -2.219 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.203 -3.876 1.257 1.00 0.00 H new ATOM 224 N LYS A 76 0.918 -4.839 4.661 1.00 0.00 N ATOM 225 CA LYS A 76 -0.276 -5.084 5.485 1.00 0.00 C ATOM 226 C LYS A 76 -0.250 -4.263 6.781 1.00 0.00 C ATOM 227 O LYS A 76 -1.288 -3.917 7.339 1.00 0.00 O ATOM 228 CB LYS A 76 -0.422 -6.546 5.807 1.00 0.00 C ATOM 229 CG LYS A 76 -0.665 -7.412 4.595 1.00 0.00 C ATOM 230 CD LYS A 76 -0.798 -8.861 5.001 1.00 0.00 C ATOM 231 CE LYS A 76 -1.077 -9.762 3.811 1.00 0.00 C ATOM 232 NZ LYS A 76 -0.031 -9.652 2.768 1.00 0.00 N ATOM 0 H LYS A 76 1.548 -5.636 4.567 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.137 -4.766 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.480 -6.889 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.248 -6.674 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.571 -7.087 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.158 -7.300 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.119 -9.185 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.604 -8.961 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.144 -10.796 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.045 -9.504 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.197 -10.599 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.378 -9.056 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.824 -9.224 3.177 1.00 0.00 H new ATOM 246 N LYS A 77 0.942 -3.929 7.229 1.00 0.00 N ATOM 247 CA LYS A 77 1.110 -3.113 8.418 1.00 0.00 C ATOM 248 C LYS A 77 0.899 -1.680 8.031 1.00 0.00 C ATOM 249 O LYS A 77 0.328 -0.887 8.780 1.00 0.00 O ATOM 250 CB LYS A 77 2.506 -3.303 8.990 1.00 0.00 C ATOM 251 CG LYS A 77 2.772 -4.722 9.426 1.00 0.00 C ATOM 252 CD LYS A 77 4.228 -4.940 9.795 1.00 0.00 C ATOM 253 CE LYS A 77 4.471 -6.362 10.294 1.00 0.00 C ATOM 254 NZ LYS A 77 4.014 -7.391 9.319 1.00 0.00 N ATOM 0 H LYS A 77 1.816 -4.211 6.785 1.00 0.00 H new ATOM 0 HA LYS A 77 0.389 -3.406 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.243 -3.014 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.639 -2.635 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.141 -4.963 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.495 -5.406 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.858 -4.745 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.520 -4.228 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.534 -6.499 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.951 -6.506 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.604 -8.243 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.021 -7.635 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.097 -7.015 8.353 1.00 0.00 H new ATOM 268 N MET A 78 1.328 -1.369 6.823 1.00 0.00 N ATOM 269 CA MET A 78 1.147 -0.060 6.263 1.00 0.00 C ATOM 270 C MET A 78 -0.334 0.149 6.009 1.00 0.00 C ATOM 271 O MET A 78 -0.856 1.207 6.227 1.00 0.00 O ATOM 272 CB MET A 78 1.920 0.090 4.952 1.00 0.00 C ATOM 273 CG MET A 78 3.421 -0.090 5.067 1.00 0.00 C ATOM 274 SD MET A 78 4.245 -0.021 3.460 1.00 0.00 S ATOM 275 CE MET A 78 5.949 -0.278 3.951 1.00 0.00 C ATOM 0 H MET A 78 1.811 -2.024 6.208 1.00 0.00 H new ATOM 0 HA MET A 78 1.527 0.685 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.536 -0.637 4.237 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.719 1.079 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.829 0.685 5.716 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.635 -1.048 5.542 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.611 0.031 3.142 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.164 0.312 4.842 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.110 -1.334 4.168 1.00 0.00 H new ATOM 285 N ALA A 79 -0.992 -0.910 5.589 1.00 0.00 N ATOM 286 CA ALA A 79 -2.407 -0.927 5.311 1.00 0.00 C ATOM 287 C ALA A 79 -3.215 -0.444 6.500 1.00 0.00 C ATOM 288 O ALA A 79 -4.097 0.406 6.348 1.00 0.00 O ATOM 289 CB ALA A 79 -2.840 -2.318 4.899 1.00 0.00 C ATOM 0 H ALA A 79 -0.540 -1.810 5.427 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.597 -0.239 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.910 -2.319 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.296 -2.618 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.626 -3.019 5.705 1.00 0.00 H new ATOM 295 N LYS A 80 -2.903 -0.941 7.698 1.00 0.00 N ATOM 296 CA LYS A 80 -3.628 -0.471 8.870 1.00 0.00 C ATOM 297 C LYS A 80 -3.203 0.934 9.196 1.00 0.00 C ATOM 298 O LYS A 80 -3.957 1.693 9.733 1.00 0.00 O ATOM 299 CB LYS A 80 -3.524 -1.423 10.125 1.00 0.00 C ATOM 300 CG LYS A 80 -2.152 -1.537 10.884 1.00 0.00 C ATOM 301 CD LYS A 80 -1.718 -0.239 11.638 1.00 0.00 C ATOM 302 CE LYS A 80 -2.743 0.226 12.689 1.00 0.00 C ATOM 303 NZ LYS A 80 -2.429 1.589 13.232 1.00 0.00 N ATOM 0 H LYS A 80 -2.182 -1.641 7.876 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.687 -0.482 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.273 -1.099 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.806 -2.425 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.215 -2.355 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.375 -1.802 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.760 -0.415 12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.564 0.560 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.737 0.236 12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.769 -0.491 13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.138 1.849 13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.485 1.580 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.447 2.284 12.458 1.00 0.00 H new ATOM 317 N ALA A 81 -1.981 1.256 8.847 1.00 0.00 N ATOM 318 CA ALA A 81 -1.412 2.547 9.124 1.00 0.00 C ATOM 319 C ALA A 81 -2.103 3.635 8.313 1.00 0.00 C ATOM 320 O ALA A 81 -1.960 4.811 8.619 1.00 0.00 O ATOM 321 CB ALA A 81 0.093 2.535 8.921 1.00 0.00 C ATOM 0 H ALA A 81 -1.350 0.621 8.358 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.585 2.781 10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.497 3.524 9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.545 1.804 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.319 2.269 7.888 1.00 0.00 H new ATOM 327 N ILE A 82 -2.710 3.242 7.210 1.00 0.00 N ATOM 328 CA ILE A 82 -3.593 4.122 6.472 1.00 0.00 C ATOM 329 C ILE A 82 -5.016 4.034 7.050 1.00 0.00 C ATOM 330 O ILE A 82 -5.568 5.018 7.511 1.00 0.00 O ATOM 331 CB ILE A 82 -3.663 3.819 4.919 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.417 4.294 4.152 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.912 4.448 4.281 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.147 3.603 4.501 1.00 0.00 C ATOM 0 H ILE A 82 -2.606 2.312 6.804 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.173 5.122 6.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.713 2.733 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.598 4.166 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.289 5.362 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.929 4.221 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.806 4.041 4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.887 5.529 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.333 4.014 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.931 3.751 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.245 2.537 4.297 1.00 0.00 H new ATOM 346 N MET A 83 -5.576 2.814 7.057 1.00 0.00 N ATOM 347 CA MET A 83 -6.997 2.617 7.384 1.00 0.00 C ATOM 348 C MET A 83 -7.370 2.934 8.835 1.00 0.00 C ATOM 349 O MET A 83 -8.513 3.266 9.120 1.00 0.00 O ATOM 350 CB MET A 83 -7.507 1.214 6.980 1.00 0.00 C ATOM 351 CG MET A 83 -6.948 0.050 7.740 1.00 0.00 C ATOM 352 SD MET A 83 -7.758 -1.509 7.308 1.00 0.00 S ATOM 353 CE MET A 83 -6.879 -2.650 8.379 1.00 0.00 C ATOM 0 H MET A 83 -5.071 1.955 6.842 1.00 0.00 H new ATOM 0 HA MET A 83 -7.512 3.360 6.775 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.592 1.202 7.089 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.291 1.065 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.880 -0.031 7.540 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.060 0.230 8.809 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.264 -3.659 8.230 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.816 -2.629 8.139 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.022 -2.357 9.419 1.00 0.00 H new ATOM 363 N ALA A 84 -6.430 2.800 9.738 1.00 0.00 N ATOM 364 CA ALA A 84 -6.675 3.071 11.145 1.00 0.00 C ATOM 365 C ALA A 84 -6.092 4.412 11.541 1.00 0.00 C ATOM 366 O ALA A 84 -6.331 4.906 12.640 1.00 0.00 O ATOM 367 CB ALA A 84 -6.065 1.974 12.000 1.00 0.00 C ATOM 0 H ALA A 84 -5.477 2.502 9.527 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.753 3.098 11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.254 2.186 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.513 1.016 11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.990 1.932 11.825 1.00 0.00 H new ATOM 373 N ASP A 85 -5.342 4.999 10.641 1.00 0.00 N ATOM 374 CA ASP A 85 -4.641 6.242 10.913 1.00 0.00 C ATOM 375 C ASP A 85 -4.809 7.155 9.681 1.00 0.00 C ATOM 376 O ASP A 85 -3.815 7.461 8.990 1.00 0.00 O ATOM 377 CB ASP A 85 -3.126 6.008 11.054 1.00 0.00 C ATOM 378 CG ASP A 85 -2.588 4.917 12.004 1.00 0.00 C ATOM 379 OD1 ASP A 85 -3.022 3.742 11.938 1.00 0.00 O ATOM 380 OD2 ASP A 85 -1.573 5.193 12.680 1.00 0.00 O ATOM 0 H ASP A 85 -5.197 4.634 9.700 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.044 6.669 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.740 5.787 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.682 6.953 11.365 1.00 0.00 H new ATOM 385 N PRO A 86 -6.041 7.635 9.397 1.00 0.00 N ATOM 386 CA PRO A 86 -6.371 8.344 8.131 1.00 0.00 C ATOM 387 C PRO A 86 -5.537 9.607 7.840 1.00 0.00 C ATOM 388 O PRO A 86 -5.406 10.014 6.692 1.00 0.00 O ATOM 389 CB PRO A 86 -7.853 8.708 8.303 1.00 0.00 C ATOM 390 CG PRO A 86 -8.360 7.757 9.329 1.00 0.00 C ATOM 391 CD PRO A 86 -7.222 7.540 10.277 1.00 0.00 C ATOM 0 HA PRO A 86 -6.148 7.704 7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.972 9.742 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.397 8.605 7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.228 8.165 9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.673 6.818 8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.202 8.294 11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.284 6.569 10.768 1.00 0.00 H new ATOM 399 N SER A 87 -4.962 10.194 8.859 1.00 0.00 N ATOM 400 CA SER A 87 -4.199 11.415 8.706 1.00 0.00 C ATOM 401 C SER A 87 -2.825 11.177 8.048 1.00 0.00 C ATOM 402 O SER A 87 -2.297 12.042 7.386 1.00 0.00 O ATOM 403 CB SER A 87 -4.064 12.062 10.075 1.00 0.00 C ATOM 404 OG SER A 87 -3.756 11.071 11.059 1.00 0.00 O ATOM 0 H SER A 87 -5.007 9.844 9.816 1.00 0.00 H new ATOM 0 HA SER A 87 -4.729 12.084 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.280 12.819 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.991 12.571 10.338 1.00 0.00 H new ATOM 0 HG SER A 87 -3.669 11.498 11.937 1.00 0.00 H new ATOM 410 N LYS A 88 -2.295 9.979 8.220 1.00 0.00 N ATOM 411 CA LYS A 88 -0.961 9.603 7.712 1.00 0.00 C ATOM 412 C LYS A 88 -1.053 9.074 6.267 1.00 0.00 C ATOM 413 O LYS A 88 -0.048 8.811 5.604 1.00 0.00 O ATOM 414 CB LYS A 88 -0.419 8.477 8.603 1.00 0.00 C ATOM 415 CG LYS A 88 0.966 7.969 8.222 1.00 0.00 C ATOM 416 CD LYS A 88 1.120 6.457 8.428 1.00 0.00 C ATOM 417 CE LYS A 88 1.138 6.025 9.904 1.00 0.00 C ATOM 418 NZ LYS A 88 -0.190 6.093 10.521 1.00 0.00 N ATOM 0 H LYS A 88 -2.770 9.226 8.717 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.311 10.478 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.390 8.831 9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.118 7.641 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.162 8.211 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.716 8.491 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.301 5.946 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.044 6.128 7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.518 5.006 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.827 6.663 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.224 5.456 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.379 7.068 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.910 5.804 9.828 1.00 0.00 H new ATOM 432 N ALA A 89 -2.252 8.905 5.814 1.00 0.00 N ATOM 433 CA ALA A 89 -2.517 8.178 4.602 1.00 0.00 C ATOM 434 C ALA A 89 -1.877 8.733 3.324 1.00 0.00 C ATOM 435 O ALA A 89 -1.308 7.956 2.546 1.00 0.00 O ATOM 436 CB ALA A 89 -3.990 7.958 4.446 1.00 0.00 C ATOM 0 H ALA A 89 -3.087 9.268 6.274 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.010 7.221 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.180 7.407 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.364 7.386 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.499 8.921 4.404 1.00 0.00 H new ATOM 442 N ASP A 90 -1.902 10.043 3.126 1.00 0.00 N ATOM 443 CA ASP A 90 -1.425 10.619 1.847 1.00 0.00 C ATOM 444 C ASP A 90 0.074 10.412 1.655 1.00 0.00 C ATOM 445 O ASP A 90 0.527 10.007 0.568 1.00 0.00 O ATOM 446 CB ASP A 90 -1.800 12.094 1.697 1.00 0.00 C ATOM 447 CG ASP A 90 -1.463 12.625 0.310 1.00 0.00 C ATOM 448 OD1 ASP A 90 -2.114 12.189 -0.661 1.00 0.00 O ATOM 449 OD2 ASP A 90 -0.575 13.489 0.186 1.00 0.00 O ATOM 0 H ASP A 90 -2.236 10.725 3.807 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.940 10.074 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.866 12.219 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.273 12.681 2.449 1.00 0.00 H new ATOM 454 N ASP A 91 0.825 10.591 2.733 1.00 0.00 N ATOM 455 CA ASP A 91 2.288 10.412 2.739 1.00 0.00 C ATOM 456 C ASP A 91 2.647 9.003 2.308 1.00 0.00 C ATOM 457 O ASP A 91 3.652 8.772 1.615 1.00 0.00 O ATOM 458 CB ASP A 91 2.867 10.619 4.145 1.00 0.00 C ATOM 459 CG ASP A 91 2.505 11.938 4.774 1.00 0.00 C ATOM 460 OD1 ASP A 91 1.356 12.053 5.265 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.366 12.838 4.814 1.00 0.00 O ATOM 0 H ASP A 91 0.443 10.866 3.638 1.00 0.00 H new ATOM 0 HA ASP A 91 2.703 11.149 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.519 9.813 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.953 10.540 4.094 1.00 0.00 H new ATOM 466 N VAL A 92 1.826 8.046 2.688 1.00 0.00 N ATOM 467 CA VAL A 92 2.109 6.677 2.359 1.00 0.00 C ATOM 468 C VAL A 92 1.641 6.377 0.940 1.00 0.00 C ATOM 469 O VAL A 92 2.255 5.584 0.247 1.00 0.00 O ATOM 470 CB VAL A 92 1.506 5.677 3.367 1.00 0.00 C ATOM 471 CG1 VAL A 92 2.017 4.263 3.091 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.840 6.084 4.793 1.00 0.00 C ATOM 0 H VAL A 92 0.968 8.195 3.219 1.00 0.00 H new ATOM 0 HA VAL A 92 3.190 6.546 2.418 1.00 0.00 H new ATOM 0 HB VAL A 92 0.423 5.687 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.581 3.571 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.732 3.963 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.103 4.244 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.405 5.365 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.922 6.104 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.432 7.075 4.994 1.00 0.00 H new ATOM 482 N TYR A 93 0.591 7.063 0.485 1.00 0.00 N ATOM 483 CA TYR A 93 0.135 6.908 -0.905 1.00 0.00 C ATOM 484 C TYR A 93 1.238 7.351 -1.833 1.00 0.00 C ATOM 485 O TYR A 93 1.569 6.672 -2.795 1.00 0.00 O ATOM 486 CB TYR A 93 -1.109 7.746 -1.228 1.00 0.00 C ATOM 487 CG TYR A 93 -2.351 7.437 -0.439 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.558 6.196 0.147 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.335 8.397 -0.304 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.709 5.929 0.845 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.484 8.141 0.394 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.670 6.908 0.967 1.00 0.00 C ATOM 493 OH TYR A 93 -5.827 6.651 1.652 1.00 0.00 O ATOM 0 H TYR A 93 0.047 7.720 1.043 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.121 5.857 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.861 8.797 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.338 7.622 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.803 5.430 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.195 9.367 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.860 4.959 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.240 8.905 0.493 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.396 7.449 1.644 1.00 0.00 H new ATOM 503 N GLN A 94 1.839 8.479 -1.501 1.00 0.00 N ATOM 504 CA GLN A 94 2.920 9.022 -2.288 1.00 0.00 C ATOM 505 C GLN A 94 4.174 8.189 -2.113 1.00 0.00 C ATOM 506 O GLN A 94 5.036 8.182 -2.956 1.00 0.00 O ATOM 507 CB GLN A 94 3.139 10.541 -2.023 1.00 0.00 C ATOM 508 CG GLN A 94 3.734 10.969 -0.685 1.00 0.00 C ATOM 509 CD GLN A 94 5.257 10.920 -0.609 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.938 11.852 -1.004 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.786 9.910 0.013 1.00 0.00 N ATOM 0 H GLN A 94 1.591 9.037 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 94 2.643 8.959 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.786 10.925 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.175 11.039 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.407 11.986 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.326 10.330 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.196 9.143 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.792 9.884 0.181 1.00 0.00 H new ATOM 520 N LYS A 95 4.252 7.467 -1.004 1.00 0.00 N ATOM 521 CA LYS A 95 5.390 6.612 -0.740 1.00 0.00 C ATOM 522 C LYS A 95 5.244 5.331 -1.578 1.00 0.00 C ATOM 523 O LYS A 95 6.227 4.759 -2.042 1.00 0.00 O ATOM 524 CB LYS A 95 5.505 6.319 0.779 1.00 0.00 C ATOM 525 CG LYS A 95 6.893 5.874 1.257 1.00 0.00 C ATOM 526 CD LYS A 95 7.261 4.474 0.802 1.00 0.00 C ATOM 527 CE LYS A 95 8.734 4.187 1.032 1.00 0.00 C ATOM 528 NZ LYS A 95 9.602 5.119 0.257 1.00 0.00 N ATOM 0 H LYS A 95 3.538 7.459 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 95 6.317 7.107 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.220 7.216 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.784 5.544 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.640 6.577 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.926 5.916 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.658 3.744 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.027 4.360 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.961 4.276 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.954 3.159 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.569 4.739 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.228 5.220 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.615 6.049 0.722 1.00 0.00 H new ATOM 542 N TRP A 96 4.027 4.894 -1.766 1.00 0.00 N ATOM 543 CA TRP A 96 3.766 3.777 -2.637 1.00 0.00 C ATOM 544 C TRP A 96 3.922 4.210 -4.089 1.00 0.00 C ATOM 545 O TRP A 96 4.439 3.452 -4.921 1.00 0.00 O ATOM 546 CB TRP A 96 2.401 3.148 -2.361 1.00 0.00 C ATOM 547 CG TRP A 96 2.296 2.404 -1.046 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.307 1.789 -0.353 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.097 2.155 -0.298 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.806 1.203 0.787 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.455 1.408 0.838 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.243 2.497 -0.474 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.522 0.999 1.785 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -1.168 2.090 0.465 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.780 1.348 1.582 1.00 0.00 C ATOM 0 H TRP A 96 3.198 5.295 -1.327 1.00 0.00 H new ATOM 0 HA TRP A 96 4.500 2.997 -2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.645 3.933 -2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.164 2.459 -3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.343 1.768 -0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.354 0.697 1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.553 3.073 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.819 0.425 2.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.208 2.349 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.527 1.044 2.300 1.00 0.00 H new ATOM 566 N ALA A 97 3.518 5.445 -4.376 1.00 0.00 N ATOM 567 CA ALA A 97 3.735 6.049 -5.685 1.00 0.00 C ATOM 568 C ALA A 97 5.235 6.177 -5.937 1.00 0.00 C ATOM 569 O ALA A 97 5.699 5.978 -7.053 1.00 0.00 O ATOM 570 CB ALA A 97 3.056 7.408 -5.776 1.00 0.00 C ATOM 0 H ALA A 97 3.035 6.050 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 97 3.294 5.410 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.233 7.838 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.984 7.290 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.464 8.071 -5.013 1.00 0.00 H new ATOM 576 N ASP A 98 5.983 6.490 -4.865 1.00 0.00 N ATOM 577 CA ASP A 98 7.473 6.506 -4.880 1.00 0.00 C ATOM 578 C ASP A 98 8.052 5.188 -5.411 1.00 0.00 C ATOM 579 O ASP A 98 9.109 5.157 -6.038 1.00 0.00 O ATOM 580 CB ASP A 98 8.022 6.813 -3.444 1.00 0.00 C ATOM 581 CG ASP A 98 9.386 6.184 -3.117 1.00 0.00 C ATOM 582 OD1 ASP A 98 10.402 6.599 -3.632 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.439 5.187 -2.326 1.00 0.00 O ATOM 0 H ASP A 98 5.582 6.740 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 98 7.792 7.296 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.100 7.894 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.294 6.464 -2.712 1.00 0.00 H new ATOM 588 N LYS A 99 7.369 4.101 -5.169 1.00 0.00 N ATOM 589 CA LYS A 99 7.850 2.802 -5.601 1.00 0.00 C ATOM 590 C LYS A 99 7.123 2.325 -6.841 1.00 0.00 C ATOM 591 O LYS A 99 7.351 1.215 -7.311 1.00 0.00 O ATOM 592 CB LYS A 99 7.719 1.799 -4.471 1.00 0.00 C ATOM 593 CG LYS A 99 8.469 2.189 -3.198 1.00 0.00 C ATOM 594 CD LYS A 99 9.985 1.813 -3.180 1.00 0.00 C ATOM 595 CE LYS A 99 10.862 2.424 -4.305 1.00 0.00 C ATOM 596 NZ LYS A 99 10.818 3.908 -4.372 1.00 0.00 N ATOM 0 H LYS A 99 6.477 4.082 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 99 8.904 2.897 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.663 1.673 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.086 0.832 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.376 3.266 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.982 1.712 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.401 2.117 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.068 0.728 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.895 2.108 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.539 2.018 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.292 4.202 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.344 4.280 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.787 4.282 -4.419 1.00 0.00 H new ATOM 610 N GLY A 100 6.250 3.166 -7.351 1.00 0.00 N ATOM 611 CA GLY A 100 5.535 2.870 -8.569 1.00 0.00 C ATOM 612 C GLY A 100 4.409 1.883 -8.375 1.00 0.00 C ATOM 613 O GLY A 100 3.964 1.250 -9.332 1.00 0.00 O ATOM 0 H GLY A 100 6.018 4.068 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.131 3.796 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.234 2.473 -9.305 1.00 0.00 H new ATOM 617 N TYR A 101 3.934 1.741 -7.152 1.00 0.00 N ATOM 618 CA TYR A 101 2.859 0.811 -6.905 1.00 0.00 C ATOM 619 C TYR A 101 1.528 1.333 -7.413 1.00 0.00 C ATOM 620 O TYR A 101 1.154 2.487 -7.191 1.00 0.00 O ATOM 621 CB TYR A 101 2.772 0.375 -5.438 1.00 0.00 C ATOM 622 CG TYR A 101 3.966 -0.434 -4.983 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.407 -1.523 -5.730 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.650 -0.122 -3.817 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.492 -2.268 -5.334 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.739 -0.872 -3.411 1.00 0.00 C ATOM 627 CZ TYR A 101 6.154 -1.944 -4.178 1.00 0.00 C ATOM 628 OH TYR A 101 7.250 -2.687 -3.793 1.00 0.00 O ATOM 0 H TYR A 101 4.269 2.248 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 101 3.099 -0.084 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.680 1.260 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.866 -0.214 -5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.886 -1.788 -6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.328 0.717 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.822 -3.105 -5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.262 -0.621 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 101 7.748 -2.202 -3.102 1.00 0.00 H new ATOM 638 N THR A 102 0.842 0.496 -8.125 1.00 0.00 N ATOM 639 CA THR A 102 -0.445 0.816 -8.652 1.00 0.00 C ATOM 640 C THR A 102 -1.491 -0.052 -7.945 1.00 0.00 C ATOM 641 O THR A 102 -1.120 -0.977 -7.225 1.00 0.00 O ATOM 642 CB THR A 102 -0.476 0.624 -10.193 1.00 0.00 C ATOM 643 OG1 THR A 102 -1.742 1.026 -10.743 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.213 -0.812 -10.561 1.00 0.00 C ATOM 0 H THR A 102 1.166 -0.442 -8.360 1.00 0.00 H new ATOM 0 HA THR A 102 -0.674 1.866 -8.467 1.00 0.00 H new ATOM 0 HB THR A 102 0.309 1.254 -10.611 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.733 0.896 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.240 -0.921 -11.645 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.768 -1.109 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.977 -1.448 -10.114 1.00 0.00 H new ATOM 652 N LEU A 103 -2.770 0.217 -8.193 1.00 0.00 N ATOM 653 CA LEU A 103 -3.903 -0.440 -7.493 1.00 0.00 C ATOM 654 C LEU A 103 -3.804 -1.946 -7.582 1.00 0.00 C ATOM 655 O LEU A 103 -3.731 -2.637 -6.575 1.00 0.00 O ATOM 656 CB LEU A 103 -5.282 -0.024 -8.073 1.00 0.00 C ATOM 657 CG LEU A 103 -5.634 1.466 -8.143 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.301 2.188 -6.853 1.00 0.00 C ATOM 659 CD2 LEU A 103 -5.019 2.141 -9.353 1.00 0.00 C ATOM 0 H LEU A 103 -3.066 0.901 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.835 -0.112 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.350 -0.427 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.052 -0.518 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.715 1.530 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.566 3.241 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.863 1.744 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.233 2.099 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.295 3.195 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.934 2.051 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.385 1.663 -10.262 1.00 0.00 H new ATOM 671 N THR A 104 -3.752 -2.425 -8.800 1.00 0.00 N ATOM 672 CA THR A 104 -3.705 -3.837 -9.109 1.00 0.00 C ATOM 673 C THR A 104 -2.484 -4.555 -8.480 1.00 0.00 C ATOM 674 O THR A 104 -2.572 -5.717 -8.106 1.00 0.00 O ATOM 675 CB THR A 104 -3.806 -4.062 -10.658 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.468 -5.405 -11.025 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.959 -3.048 -11.444 1.00 0.00 C ATOM 0 H THR A 104 -3.741 -1.829 -9.628 1.00 0.00 H new ATOM 0 HA THR A 104 -4.575 -4.302 -8.646 1.00 0.00 H new ATOM 0 HB THR A 104 -4.849 -3.897 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.544 -5.507 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.059 -3.241 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.304 -2.038 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.913 -3.145 -11.154 1.00 0.00 H new ATOM 685 N GLN A 105 -1.384 -3.846 -8.324 1.00 0.00 N ATOM 686 CA GLN A 105 -0.185 -4.420 -7.720 1.00 0.00 C ATOM 687 C GLN A 105 -0.247 -4.332 -6.204 1.00 0.00 C ATOM 688 O GLN A 105 0.173 -5.237 -5.505 1.00 0.00 O ATOM 689 CB GLN A 105 1.082 -3.746 -8.272 1.00 0.00 C ATOM 690 CG GLN A 105 1.615 -4.334 -9.595 1.00 0.00 C ATOM 691 CD GLN A 105 0.563 -4.538 -10.677 1.00 0.00 C ATOM 692 OE1 GLN A 105 0.313 -3.667 -11.474 1.00 0.00 O ATOM 693 NE2 GLN A 105 -0.050 -5.696 -10.707 1.00 0.00 N ATOM 0 H GLN A 105 -1.290 -2.870 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.140 -5.476 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.875 -2.686 -8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.868 -3.814 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.390 -3.673 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.089 -5.293 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.182 -6.414 -10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.759 -5.879 -11.417 1.00 0.00 H new ATOM 702 N LEU A 106 -0.816 -3.247 -5.715 1.00 0.00 N ATOM 703 CA LEU A 106 -0.977 -3.010 -4.290 1.00 0.00 C ATOM 704 C LEU A 106 -1.954 -4.044 -3.713 1.00 0.00 C ATOM 705 O LEU A 106 -1.777 -4.534 -2.602 1.00 0.00 O ATOM 706 CB LEU A 106 -1.457 -1.537 -4.084 1.00 0.00 C ATOM 707 CG LEU A 106 -1.525 -0.939 -2.651 1.00 0.00 C ATOM 708 CD1 LEU A 106 -2.717 -1.446 -1.858 1.00 0.00 C ATOM 709 CD2 LEU A 106 -0.225 -1.191 -1.898 1.00 0.00 C ATOM 0 H LEU A 106 -1.184 -2.497 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.035 -3.130 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.801 -0.896 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.454 -1.456 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.662 0.136 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.713 -0.995 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.638 -1.178 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.657 -2.530 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.295 -0.764 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.050 -2.264 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.602 -0.725 -2.434 1.00 0.00 H new ATOM 721 N SER A 107 -2.938 -4.411 -4.520 1.00 0.00 N ATOM 722 CA SER A 107 -3.956 -5.376 -4.144 1.00 0.00 C ATOM 723 C SER A 107 -3.362 -6.736 -3.758 1.00 0.00 C ATOM 724 O SER A 107 -3.851 -7.390 -2.825 1.00 0.00 O ATOM 725 CB SER A 107 -4.948 -5.562 -5.291 1.00 0.00 C ATOM 726 OG SER A 107 -5.565 -4.345 -5.629 1.00 0.00 O ATOM 0 H SER A 107 -3.052 -4.042 -5.464 1.00 0.00 H new ATOM 0 HA SER A 107 -4.465 -4.977 -3.266 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.431 -5.965 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.707 -6.291 -5.005 1.00 0.00 H new ATOM 0 HG SER A 107 -4.958 -3.814 -6.186 1.00 0.00 H new ATOM 732 N ASP A 108 -2.283 -7.141 -4.425 1.00 0.00 N ATOM 733 CA ASP A 108 -1.726 -8.469 -4.182 1.00 0.00 C ATOM 734 C ASP A 108 -0.927 -8.503 -2.890 1.00 0.00 C ATOM 735 O ASP A 108 -0.850 -9.537 -2.211 1.00 0.00 O ATOM 736 CB ASP A 108 -0.883 -8.976 -5.348 1.00 0.00 C ATOM 737 CG ASP A 108 -0.615 -10.457 -5.198 1.00 0.00 C ATOM 738 OD1 ASP A 108 -1.543 -11.260 -5.459 1.00 0.00 O ATOM 739 OD2 ASP A 108 0.478 -10.864 -4.730 1.00 0.00 O ATOM 0 H ASP A 108 -1.787 -6.584 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.575 -9.145 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.400 -8.787 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.060 -8.431 -5.387 1.00 0.00 H new ATOM 744 N PHE A 109 -0.381 -7.352 -2.505 1.00 0.00 N ATOM 745 CA PHE A 109 0.351 -7.253 -1.249 1.00 0.00 C ATOM 746 C PHE A 109 -0.610 -7.353 -0.072 1.00 0.00 C ATOM 747 O PHE A 109 -0.209 -7.659 1.055 1.00 0.00 O ATOM 748 CB PHE A 109 1.177 -5.966 -1.150 1.00 0.00 C ATOM 749 CG PHE A 109 2.280 -5.849 -2.165 1.00 0.00 C ATOM 750 CD1 PHE A 109 3.294 -6.793 -2.221 1.00 0.00 C ATOM 751 CD2 PHE A 109 2.303 -4.801 -3.060 1.00 0.00 C ATOM 752 CE1 PHE A 109 4.307 -6.689 -3.152 1.00 0.00 C ATOM 753 CE2 PHE A 109 3.312 -4.689 -3.991 1.00 0.00 C ATOM 754 CZ PHE A 109 4.317 -5.634 -4.038 1.00 0.00 C ATOM 0 H PHE A 109 -0.431 -6.485 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 109 1.053 -8.087 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.509 -5.112 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.612 -5.905 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.291 -7.620 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.520 -4.058 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.090 -7.432 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.317 -3.861 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.109 -5.547 -4.767 1.00 0.00 H new ATOM 764 N LEU A 110 -1.868 -7.083 -0.339 1.00 0.00 N ATOM 765 CA LEU A 110 -2.923 -7.225 0.644 1.00 0.00 C ATOM 766 C LEU A 110 -3.457 -8.656 0.585 1.00 0.00 C ATOM 767 O LEU A 110 -3.520 -9.346 1.608 1.00 0.00 O ATOM 768 CB LEU A 110 -4.051 -6.203 0.369 1.00 0.00 C ATOM 769 CG LEU A 110 -3.860 -4.742 0.877 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.486 -4.184 0.552 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.923 -3.844 0.259 1.00 0.00 C ATOM 0 H LEU A 110 -2.192 -6.757 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.532 -7.027 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.209 -6.163 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.968 -6.592 0.811 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.957 -4.765 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.409 -3.164 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.722 -4.803 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.340 -4.183 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.788 -2.823 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.831 -3.865 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.912 -4.201 0.546 1.00 0.00 H new ATOM 783 N LYS A 111 -3.778 -9.094 -0.639 1.00 0.00 N ATOM 784 CA LYS A 111 -4.233 -10.455 -0.968 1.00 0.00 C ATOM 785 C LYS A 111 -5.376 -10.922 -0.033 1.00 0.00 C ATOM 786 O LYS A 111 -5.194 -11.796 0.852 1.00 0.00 O ATOM 787 CB LYS A 111 -3.036 -11.432 -0.953 1.00 0.00 C ATOM 788 CG LYS A 111 -3.253 -12.764 -1.677 1.00 0.00 C ATOM 789 CD LYS A 111 -2.018 -13.677 -1.556 1.00 0.00 C ATOM 790 CE LYS A 111 -0.739 -13.062 -2.168 1.00 0.00 C ATOM 791 NZ LYS A 111 -0.794 -12.933 -3.640 1.00 0.00 N ATOM 0 H LYS A 111 -3.727 -8.490 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.649 -10.444 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.178 -10.932 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.776 -11.642 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.123 -13.270 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.468 -12.577 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.839 -13.896 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.227 -14.627 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.573 -12.077 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.117 -13.679 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.072 -12.468 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.871 -13.877 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.621 -12.362 -3.908 1.00 0.00 H new ATOM 905 N TYR A 118 -8.592 -5.323 3.812 1.00 0.00 N ATOM 906 CA TYR A 118 -7.919 -4.063 3.741 1.00 0.00 C ATOM 907 C TYR A 118 -8.617 -3.210 2.679 1.00 0.00 C ATOM 908 O TYR A 118 -8.023 -2.336 2.075 1.00 0.00 O ATOM 909 CB TYR A 118 -6.455 -4.304 3.374 1.00 0.00 C ATOM 910 CG TYR A 118 -5.705 -5.185 4.351 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.295 -4.696 5.582 1.00 0.00 C ATOM 912 CD2 TYR A 118 -5.400 -6.504 4.034 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.603 -5.494 6.474 1.00 0.00 C ATOM 914 CE2 TYR A 118 -4.711 -7.309 4.918 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.314 -6.800 6.136 1.00 0.00 C ATOM 916 OH TYR A 118 -3.621 -7.600 7.018 1.00 0.00 O ATOM 0 HA TYR A 118 -7.953 -3.542 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.411 -4.759 2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -5.947 -3.342 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.520 -3.674 5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.708 -6.905 3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.291 -5.098 7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.484 -8.332 4.657 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.703 -8.537 6.743 1.00 0.00 H new ATOM 926 N ASP A 119 -9.888 -3.489 2.464 1.00 0.00 N ATOM 927 CA ASP A 119 -10.711 -2.782 1.464 1.00 0.00 C ATOM 928 C ASP A 119 -10.684 -1.266 1.664 1.00 0.00 C ATOM 929 O ASP A 119 -10.572 -0.505 0.699 1.00 0.00 O ATOM 930 CB ASP A 119 -12.166 -3.318 1.440 1.00 0.00 C ATOM 931 CG ASP A 119 -12.828 -3.462 2.818 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.349 -2.860 3.812 1.00 0.00 O ATOM 933 OD2 ASP A 119 -13.801 -4.241 2.921 1.00 0.00 O ATOM 0 H ASP A 119 -10.394 -4.213 2.973 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.266 -2.986 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.773 -2.649 0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.171 -4.291 0.948 1.00 0.00 H new ATOM 938 N ARG A 120 -10.765 -0.862 2.915 1.00 0.00 N ATOM 939 CA ARG A 120 -10.680 0.541 3.354 1.00 0.00 C ATOM 940 C ARG A 120 -9.454 1.241 2.747 1.00 0.00 C ATOM 941 O ARG A 120 -9.579 2.281 2.097 1.00 0.00 O ATOM 942 CB ARG A 120 -10.544 0.581 4.875 1.00 0.00 C ATOM 943 CG ARG A 120 -11.593 -0.220 5.610 1.00 0.00 C ATOM 944 CD ARG A 120 -11.255 -0.347 7.083 1.00 0.00 C ATOM 945 NE ARG A 120 -12.068 -1.395 7.716 1.00 0.00 N ATOM 946 CZ ARG A 120 -11.734 -2.708 7.714 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.549 -3.091 7.233 1.00 0.00 N ATOM 948 NH2 ARG A 120 -12.567 -3.617 8.226 1.00 0.00 N ATOM 0 H ARG A 120 -10.896 -1.512 3.690 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.583 1.054 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.558 0.207 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.596 1.618 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -12.565 0.260 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.674 -1.212 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -10.197 -0.581 7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -11.427 0.606 7.584 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.932 -1.118 8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.898 -2.396 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.295 -4.079 7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.461 -3.324 8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.310 -4.604 8.222 1.00 0.00 H new ATOM 962 N VAL A 121 -8.277 0.637 2.935 1.00 0.00 N ATOM 963 CA VAL A 121 -7.033 1.237 2.471 1.00 0.00 C ATOM 964 C VAL A 121 -6.927 1.171 0.948 1.00 0.00 C ATOM 965 O VAL A 121 -6.391 2.070 0.326 1.00 0.00 O ATOM 966 CB VAL A 121 -5.750 0.627 3.169 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.624 -0.846 2.932 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.482 1.315 2.704 1.00 0.00 C ATOM 0 H VAL A 121 -8.165 -0.262 3.403 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.066 2.286 2.767 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.880 0.797 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.729 -1.219 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.501 -1.355 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.550 -1.037 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.622 0.870 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.377 1.194 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.534 2.376 2.947 1.00 0.00 H new ATOM 978 N TYR A 122 -7.483 0.127 0.356 1.00 0.00 N ATOM 979 CA TYR A 122 -7.463 -0.012 -1.087 1.00 0.00 C ATOM 980 C TYR A 122 -8.295 1.089 -1.748 1.00 0.00 C ATOM 981 O TYR A 122 -7.826 1.766 -2.670 1.00 0.00 O ATOM 982 CB TYR A 122 -7.953 -1.401 -1.520 1.00 0.00 C ATOM 983 CG TYR A 122 -8.076 -1.542 -3.019 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.952 -1.668 -3.819 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.322 -1.523 -3.633 1.00 0.00 C ATOM 986 CE1 TYR A 122 -7.065 -1.765 -5.187 1.00 0.00 C ATOM 987 CE2 TYR A 122 -9.441 -1.627 -4.998 1.00 0.00 C ATOM 988 CZ TYR A 122 -8.310 -1.745 -5.774 1.00 0.00 C ATOM 989 OH TYR A 122 -8.425 -1.835 -7.143 1.00 0.00 O ATOM 0 H TYR A 122 -7.951 -0.632 0.851 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.430 0.093 -1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.263 -2.157 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.922 -1.598 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.973 -1.690 -3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.211 -1.425 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.179 -1.857 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -10.417 -1.616 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 122 -9.372 -1.807 -7.394 1.00 0.00 H new ATOM 999 N ASN A 123 -9.511 1.266 -1.256 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.438 2.289 -1.759 1.00 0.00 C ATOM 1001 C ASN A 123 -9.804 3.670 -1.595 1.00 0.00 C ATOM 1002 O ASN A 123 -9.750 4.456 -2.539 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.775 2.201 -0.982 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.906 3.095 -1.518 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -12.696 4.156 -2.067 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -14.129 2.645 -1.348 1.00 0.00 N ATOM 0 H ASN A 123 -9.892 0.706 -0.493 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.641 2.122 -2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.116 1.166 -0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.589 2.463 0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -14.924 3.191 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -14.283 1.750 -0.884 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.253 3.915 -0.411 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.608 5.180 -0.131 1.00 0.00 C ATOM 1015 C GLY A 124 -7.365 5.406 -0.979 1.00 0.00 C ATOM 1016 O GLY A 124 -7.010 6.543 -1.280 1.00 0.00 O ATOM 0 H GLY A 124 -9.243 3.252 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.315 5.991 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.335 5.218 0.924 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.701 4.329 -1.357 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.510 4.415 -2.174 1.00 0.00 C ATOM 1022 C TYR A 125 -5.872 4.799 -3.595 1.00 0.00 C ATOM 1023 O TYR A 125 -5.128 5.489 -4.246 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.717 3.096 -2.146 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.380 3.137 -2.871 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.461 4.138 -2.601 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.036 2.173 -3.810 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.242 4.184 -3.238 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.807 2.207 -4.450 1.00 0.00 C ATOM 1030 CZ TYR A 125 -0.918 3.218 -4.155 1.00 0.00 C ATOM 1031 OH TYR A 125 0.311 3.259 -4.763 1.00 0.00 O ATOM 0 H TYR A 125 -6.972 3.378 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.869 5.192 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.542 2.816 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.330 2.311 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.707 4.899 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.737 1.385 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.544 4.978 -3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.548 1.448 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 125 0.242 2.883 -5.666 1.00 0.00 H new ATOM 1041 N MET A 126 -7.048 4.382 -4.045 1.00 0.00 N ATOM 1042 CA MET A 126 -7.546 4.684 -5.398 1.00 0.00 C ATOM 1043 C MET A 126 -7.542 6.185 -5.697 1.00 0.00 C ATOM 1044 O MET A 126 -7.314 6.591 -6.838 1.00 0.00 O ATOM 1045 CB MET A 126 -8.942 4.080 -5.638 1.00 0.00 C ATOM 1046 CG MET A 126 -8.970 2.554 -5.614 1.00 0.00 C ATOM 1047 SD MET A 126 -10.613 1.850 -5.900 1.00 0.00 S ATOM 1048 CE MET A 126 -10.994 2.480 -7.534 1.00 0.00 C ATOM 0 H MET A 126 -7.692 3.822 -3.487 1.00 0.00 H new ATOM 0 HA MET A 126 -6.852 4.213 -6.094 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.626 4.458 -4.878 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.315 4.425 -6.602 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.285 2.175 -6.373 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.599 2.208 -4.649 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.813 1.904 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.286 3.528 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.115 2.392 -8.172 1.00 0.00 H new ATOM 1058 N THR A 127 -7.721 6.985 -4.657 1.00 0.00 N ATOM 1059 CA THR A 127 -7.719 8.439 -4.741 1.00 0.00 C ATOM 1060 C THR A 127 -6.331 8.991 -5.203 1.00 0.00 C ATOM 1061 O THR A 127 -6.217 10.100 -5.658 1.00 0.00 O ATOM 1062 CB THR A 127 -8.094 9.020 -3.361 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.250 8.311 -2.876 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.438 10.503 -3.455 1.00 0.00 C ATOM 0 H THR A 127 -7.875 6.635 -3.711 1.00 0.00 H new ATOM 0 HA THR A 127 -8.451 8.745 -5.488 1.00 0.00 H new ATOM 0 HB THR A 127 -7.242 8.908 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.505 8.663 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.697 10.880 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.578 11.052 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.285 10.638 -4.128 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.277 8.190 -5.088 1.00 0.00 N ATOM 1073 CA TYR A 128 -3.957 8.661 -5.487 1.00 0.00 C ATOM 1074 C TYR A 128 -3.847 8.752 -7.034 1.00 0.00 C ATOM 1075 O TYR A 128 -2.904 9.332 -7.557 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.812 7.787 -4.891 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.273 6.712 -5.823 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.049 5.635 -6.199 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -0.993 6.810 -6.353 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.588 4.687 -7.056 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.519 5.865 -7.229 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.321 4.803 -7.576 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.868 3.873 -8.467 1.00 0.00 O ATOM 0 H TYR A 128 -5.308 7.235 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.835 9.663 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.990 8.441 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.176 7.309 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.049 5.543 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.362 7.640 -6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.212 3.848 -7.327 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.475 5.955 -7.642 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.103 3.396 -8.082 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.817 8.158 -7.761 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.763 8.139 -9.228 1.00 0.00 C ATOM 1095 C ARG A 129 -4.858 9.519 -9.876 1.00 0.00 C ATOM 1096 O ARG A 129 -4.483 9.679 -11.040 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.772 7.177 -9.890 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.435 5.673 -9.832 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.987 5.352 -10.294 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.503 6.254 -11.356 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.380 6.991 -11.213 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.469 6.622 -10.335 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.152 8.043 -11.983 1.00 0.00 N ATOM 0 H ARG A 129 -5.632 7.694 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.763 7.750 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.744 7.326 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.878 7.462 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.571 5.316 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.139 5.125 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.316 5.417 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.947 4.324 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.033 6.323 -12.225 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.615 5.786 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.618 7.173 -10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.830 8.308 -12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.299 8.589 -11.862 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.389 10.473 -9.165 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.450 11.848 -9.652 1.00 0.00 C ATOM 1119 C ASP A 130 -4.432 12.708 -8.920 1.00 0.00 C ATOM 1120 O ASP A 130 -4.343 13.920 -9.129 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.876 12.427 -9.525 1.00 0.00 C ATOM 1122 CG ASP A 130 -7.450 12.321 -8.123 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -7.936 11.214 -7.774 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -7.423 13.318 -7.379 1.00 0.00 O ATOM 0 H ASP A 130 -5.792 10.336 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.199 11.849 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.862 13.475 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.535 11.905 -10.219 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.613 12.052 -8.117 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.608 12.726 -7.323 1.00 0.00 C ATOM 1131 C TYR A 131 -1.207 12.500 -7.934 1.00 0.00 C ATOM 1132 O TYR A 131 -0.398 13.430 -7.990 1.00 0.00 O ATOM 1133 CB TYR A 131 -2.692 12.155 -5.888 1.00 0.00 C ATOM 1134 CG TYR A 131 -1.746 12.736 -4.859 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -2.104 13.842 -4.103 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -0.509 12.155 -4.624 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -1.251 14.355 -3.144 1.00 0.00 C ATOM 1138 CE2 TYR A 131 0.344 12.656 -3.667 1.00 0.00 C ATOM 1139 CZ TYR A 131 -0.027 13.756 -2.933 1.00 0.00 C ATOM 1140 OH TYR A 131 0.815 14.240 -1.963 1.00 0.00 O ATOM 0 H TYR A 131 -3.628 11.039 -7.999 1.00 0.00 H new ATOM 0 HA TYR A 131 -2.781 13.802 -7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -3.711 12.294 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -2.517 11.081 -5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -3.064 14.310 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -0.209 11.294 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -1.541 15.219 -2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 131 1.301 12.186 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 131 0.568 13.858 -1.095 1.00 0.00 H new ATOM 1150 N VAL A 132 -0.960 11.278 -8.438 1.00 0.00 N ATOM 1151 CA VAL A 132 0.296 10.880 -9.121 1.00 0.00 C ATOM 1152 C VAL A 132 -0.025 9.669 -10.001 1.00 0.00 C ATOM 1153 O VAL A 132 -0.382 9.840 -11.179 1.00 0.00 O ATOM 1154 CB VAL A 132 1.484 10.466 -8.135 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.707 9.991 -8.925 1.00 0.00 C ATOM 1156 CG2 VAL A 132 1.916 11.606 -7.224 1.00 0.00 C ATOM 1157 OXT VAL A 132 0.018 8.534 -9.492 1.00 0.00 O ATOM 0 H VAL A 132 -1.639 10.519 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 132 0.644 11.749 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 132 1.092 9.658 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.502 9.715 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 132 2.436 9.126 -9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.054 10.794 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.725 11.268 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.262 12.444 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 132 1.071 11.924 -6.613 1.00 0.00 H new