USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -65:sc= 1.23 USER MOD Set 1.2: A 97 THR OG1 : rot 161:sc= 1.85 USER MOD Set 2.1: A 25 THR OG1 : rot -168:sc= -0.34 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 TYR OH : rot 89:sc= 1.19 USER MOD Set 3.2: A 53 GLN : amide:sc= -4.7! C(o=-3.5!,f=-6.1!) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 23 SER OG : rot -29:sc= 0.152! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 23:sc= 0.99 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.803 K(o=-0.8,f=-8.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.793 USER MOD Single : A 42 GLN : amide:sc= -0.0645 K(o=-0.064,f=-0.63) USER MOD Single : A 60 THR OG1 : rot 118:sc= 0.19 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00535 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.36 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.15 K(o=-1.2,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 115:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 17.455 -14.939 2.472 1.00 0.00 N ATOM 60 CA GLY A 7 17.069 -13.777 1.693 1.00 0.00 C ATOM 61 C GLY A 7 17.248 -12.481 2.459 1.00 0.00 C ATOM 62 O GLY A 7 17.814 -12.453 3.552 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.664 -13.741 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.026 -13.876 1.391 1.00 0.00 H new ATOM 66 N PRO A 8 16.758 -11.374 1.879 1.00 0.00 N ATOM 67 CA PRO A 8 16.855 -10.048 2.497 1.00 0.00 C ATOM 68 C PRO A 8 15.966 -9.915 3.728 1.00 0.00 C ATOM 69 O PRO A 8 15.416 -10.901 4.219 1.00 0.00 O ATOM 70 CB PRO A 8 16.379 -9.106 1.389 1.00 0.00 C ATOM 71 CG PRO A 8 15.495 -9.945 0.531 1.00 0.00 C ATOM 72 CD PRO A 8 16.071 -11.333 0.578 1.00 0.00 C ATOM 0 HA PRO A 8 17.864 -9.836 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.838 -8.253 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.219 -8.707 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.469 -9.935 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.470 -9.567 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.293 -12.093 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.762 -11.510 -0.247 1.00 0.00 H new ATOM 80 N LYS A 9 15.828 -8.690 4.223 1.00 0.00 N ATOM 81 CA LYS A 9 15.004 -8.427 5.397 1.00 0.00 C ATOM 82 C LYS A 9 13.850 -7.491 5.052 1.00 0.00 C ATOM 83 O LYS A 9 13.903 -6.731 4.085 1.00 0.00 O ATOM 84 CB LYS A 9 15.852 -7.817 6.515 1.00 0.00 C ATOM 85 CG LYS A 9 16.503 -8.851 7.418 1.00 0.00 C ATOM 86 CD LYS A 9 16.905 -8.250 8.754 1.00 0.00 C ATOM 87 CE LYS A 9 18.203 -7.464 8.644 1.00 0.00 C ATOM 88 NZ LYS A 9 18.951 -7.445 9.931 1.00 0.00 N ATOM 0 H LYS A 9 16.276 -7.863 3.829 1.00 0.00 H new ATOM 0 HA LYS A 9 14.590 -9.375 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.629 -7.194 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.224 -7.162 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.812 -9.678 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.383 -9.264 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.111 -7.595 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.021 -9.044 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.829 -7.903 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.983 -6.442 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.829 -6.900 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.364 -7.003 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.183 -8.419 10.212 1.00 0.00 H new ATOM 102 N PRO A 10 12.782 -7.544 5.862 1.00 0.00 N ATOM 103 CA PRO A 10 11.596 -6.706 5.664 1.00 0.00 C ATOM 104 C PRO A 10 11.869 -5.235 5.959 1.00 0.00 C ATOM 105 O PRO A 10 12.681 -4.890 6.818 1.00 0.00 O ATOM 106 CB PRO A 10 10.588 -7.274 6.666 1.00 0.00 C ATOM 107 CG PRO A 10 11.423 -7.903 7.728 1.00 0.00 C ATOM 108 CD PRO A 10 12.650 -8.426 7.034 1.00 0.00 C ATOM 0 HA PRO A 10 11.250 -6.729 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.952 -6.489 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.930 -8.004 6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.689 -7.177 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.882 -8.709 8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.528 -8.374 7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.532 -9.469 6.741 1.00 0.00 H new ATOM 116 N PRO A 11 11.176 -4.346 5.232 1.00 0.00 N ATOM 117 CA PRO A 11 11.326 -2.897 5.400 1.00 0.00 C ATOM 118 C PRO A 11 10.757 -2.405 6.726 1.00 0.00 C ATOM 119 O PRO A 11 9.763 -2.937 7.221 1.00 0.00 O ATOM 120 CB PRO A 11 10.529 -2.320 4.228 1.00 0.00 C ATOM 121 CG PRO A 11 9.525 -3.370 3.899 1.00 0.00 C ATOM 122 CD PRO A 11 10.191 -4.686 4.192 1.00 0.00 C ATOM 0 HA PRO A 11 12.373 -2.594 5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.046 -1.382 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.175 -2.109 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.622 -3.248 4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.225 -3.309 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.475 -5.429 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.670 -5.100 3.305 1.00 0.00 H new ATOM 130 N ILE A 12 11.392 -1.386 7.295 1.00 0.00 N ATOM 131 CA ILE A 12 10.947 -0.821 8.563 1.00 0.00 C ATOM 132 C ILE A 12 10.421 0.598 8.378 1.00 0.00 C ATOM 133 O ILE A 12 10.529 1.175 7.296 1.00 0.00 O ATOM 134 CB ILE A 12 12.084 -0.805 9.602 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.239 0.071 9.112 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.566 -2.220 9.882 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.271 0.362 10.179 1.00 0.00 C ATOM 0 H ILE A 12 12.216 -0.935 6.898 1.00 0.00 H new ATOM 0 HA ILE A 12 10.142 -1.459 8.928 1.00 0.00 H new ATOM 0 HB ILE A 12 11.702 -0.383 10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.727 -0.422 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.837 1.013 8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.369 -2.192 10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.740 -2.816 10.270 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.935 -2.668 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.060 0.987 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.797 0.883 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.701 -0.574 10.535 1.00 0.00 H new ATOM 149 N ASP A 13 9.854 1.156 9.442 1.00 0.00 N ATOM 150 CA ASP A 13 9.313 2.510 9.399 1.00 0.00 C ATOM 151 C ASP A 13 8.177 2.609 8.387 1.00 0.00 C ATOM 152 O ASP A 13 8.009 3.634 7.723 1.00 0.00 O ATOM 153 CB ASP A 13 10.415 3.510 9.047 1.00 0.00 C ATOM 154 CG ASP A 13 10.150 4.889 9.618 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.913 4.989 10.841 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.180 5.868 8.844 1.00 0.00 O ATOM 0 H ASP A 13 9.757 0.692 10.345 1.00 0.00 H new ATOM 0 HA ASP A 13 8.917 2.749 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.369 3.142 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.505 3.580 7.963 1.00 0.00 H new ATOM 161 N LEU A 14 7.398 1.539 8.272 1.00 0.00 N ATOM 162 CA LEU A 14 6.277 1.504 7.339 1.00 0.00 C ATOM 163 C LEU A 14 5.142 2.403 7.819 1.00 0.00 C ATOM 164 O LEU A 14 4.400 2.049 8.735 1.00 0.00 O ATOM 165 CB LEU A 14 5.771 0.071 7.171 1.00 0.00 C ATOM 166 CG LEU A 14 5.009 -0.225 5.880 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.901 -0.001 4.669 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.472 -1.649 5.891 1.00 0.00 C ATOM 0 H LEU A 14 7.522 0.684 8.814 1.00 0.00 H new ATOM 0 HA LEU A 14 6.627 1.874 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.625 -0.604 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.122 -0.165 8.014 1.00 0.00 H new ATOM 0 HG LEU A 14 4.164 0.461 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.341 -0.217 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.236 1.036 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.766 -0.661 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.932 -1.842 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.302 -2.350 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.797 -1.777 6.737 1.00 0.00 H new ATOM 180 N VAL A 15 5.011 3.568 7.192 1.00 0.00 N ATOM 181 CA VAL A 15 3.964 4.517 7.553 1.00 0.00 C ATOM 182 C VAL A 15 3.524 5.335 6.344 1.00 0.00 C ATOM 183 O VAL A 15 4.340 5.705 5.500 1.00 0.00 O ATOM 184 CB VAL A 15 4.433 5.475 8.664 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.253 5.935 9.506 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.490 4.807 9.531 1.00 0.00 C ATOM 0 H VAL A 15 5.617 3.877 6.432 1.00 0.00 H new ATOM 0 HA VAL A 15 3.120 3.933 7.920 1.00 0.00 H new ATOM 0 HB VAL A 15 4.880 6.353 8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.604 6.611 10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.534 6.454 8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.774 5.070 9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.810 5.498 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.072 3.911 9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.346 4.533 8.915 1.00 0.00 H new ATOM 196 N VAL A 16 2.227 5.615 6.267 1.00 0.00 N ATOM 197 CA VAL A 16 1.677 6.391 5.162 1.00 0.00 C ATOM 198 C VAL A 16 1.600 7.872 5.515 1.00 0.00 C ATOM 199 O VAL A 16 1.162 8.241 6.605 1.00 0.00 O ATOM 200 CB VAL A 16 0.272 5.895 4.771 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.652 5.904 5.979 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.299 6.744 3.645 1.00 0.00 C ATOM 0 H VAL A 16 1.538 5.316 6.957 1.00 0.00 H new ATOM 0 HA VAL A 16 2.350 6.256 4.316 1.00 0.00 H new ATOM 0 HB VAL A 16 0.354 4.868 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.640 5.551 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.248 5.249 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.731 6.919 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.292 6.379 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.368 7.782 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.354 6.680 2.774 1.00 0.00 H new ATOM 212 N THR A 17 2.030 8.720 4.585 1.00 0.00 N ATOM 213 CA THR A 17 2.011 10.162 4.798 1.00 0.00 C ATOM 214 C THR A 17 0.737 10.783 4.239 1.00 0.00 C ATOM 215 O THR A 17 0.036 11.516 4.936 1.00 0.00 O ATOM 216 CB THR A 17 3.230 10.842 4.146 1.00 0.00 C ATOM 217 OG1 THR A 17 3.234 12.240 4.454 1.00 0.00 O ATOM 218 CG2 THR A 17 3.213 10.650 2.637 1.00 0.00 C ATOM 0 H THR A 17 2.396 8.433 3.677 1.00 0.00 H new ATOM 0 HA THR A 17 2.048 10.323 5.875 1.00 0.00 H new ATOM 0 HB THR A 17 4.133 10.380 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.013 12.665 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.083 11.139 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.239 9.585 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.304 11.088 2.225 1.00 0.00 H new ATOM 226 N GLU A 18 0.443 10.486 2.977 1.00 0.00 N ATOM 227 CA GLU A 18 -0.748 11.017 2.325 1.00 0.00 C ATOM 228 C GLU A 18 -1.729 9.897 1.987 1.00 0.00 C ATOM 229 O GLU A 18 -1.330 8.754 1.762 1.00 0.00 O ATOM 230 CB GLU A 18 -0.365 11.775 1.053 1.00 0.00 C ATOM 231 CG GLU A 18 0.180 13.169 1.316 1.00 0.00 C ATOM 232 CD GLU A 18 0.843 13.776 0.094 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.622 13.065 -0.574 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.581 14.963 -0.193 1.00 0.00 O ATOM 0 H GLU A 18 1.013 9.881 2.386 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.233 11.705 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.382 11.199 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.241 11.852 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.633 13.817 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.901 13.125 2.132 1.00 0.00 H new ATOM 241 N THR A 19 -3.014 10.234 1.955 1.00 0.00 N ATOM 242 CA THR A 19 -4.052 9.258 1.647 1.00 0.00 C ATOM 243 C THR A 19 -5.132 9.866 0.758 1.00 0.00 C ATOM 244 O THR A 19 -5.897 10.727 1.193 1.00 0.00 O ATOM 245 CB THR A 19 -4.707 8.711 2.929 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.673 9.705 3.959 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.995 7.454 3.406 1.00 0.00 C ATOM 0 H THR A 19 -3.361 11.175 2.139 1.00 0.00 H new ATOM 0 HA THR A 19 -3.567 8.438 1.117 1.00 0.00 H new ATOM 0 HB THR A 19 -5.743 8.459 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.093 9.350 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.475 7.086 4.313 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.048 6.689 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.951 7.685 3.617 1.00 0.00 H new ATOM 255 N THR A 20 -5.189 9.412 -0.490 1.00 0.00 N ATOM 256 CA THR A 20 -6.174 9.912 -1.441 1.00 0.00 C ATOM 257 C THR A 20 -7.388 8.992 -1.508 1.00 0.00 C ATOM 258 O THR A 20 -7.338 7.848 -1.057 1.00 0.00 O ATOM 259 CB THR A 20 -5.573 10.053 -2.852 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.165 10.297 -2.762 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.241 11.188 -3.613 1.00 0.00 C ATOM 0 H THR A 20 -4.564 8.699 -0.866 1.00 0.00 H new ATOM 0 HA THR A 20 -6.484 10.895 -1.087 1.00 0.00 H new ATOM 0 HB THR A 20 -5.747 9.122 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.818 10.541 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.800 11.269 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.308 10.986 -3.705 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.094 12.124 -3.074 1.00 0.00 H new ATOM 269 N ALA A 21 -8.478 9.499 -2.074 1.00 0.00 N ATOM 270 CA ALA A 21 -9.705 8.722 -2.203 1.00 0.00 C ATOM 271 C ALA A 21 -9.477 7.473 -3.048 1.00 0.00 C ATOM 272 O ALA A 21 -10.021 6.407 -2.759 1.00 0.00 O ATOM 273 CB ALA A 21 -10.810 9.576 -2.807 1.00 0.00 C ATOM 0 H ALA A 21 -8.537 10.445 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.011 8.404 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.720 8.983 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.999 10.435 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.504 9.923 -3.794 1.00 0.00 H new ATOM 279 N THR A 22 -8.669 7.612 -4.094 1.00 0.00 N ATOM 280 CA THR A 22 -8.370 6.495 -4.983 1.00 0.00 C ATOM 281 C THR A 22 -6.869 6.243 -5.063 1.00 0.00 C ATOM 282 O THR A 22 -6.381 5.647 -6.023 1.00 0.00 O ATOM 283 CB THR A 22 -8.914 6.746 -6.402 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.189 7.813 -7.023 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.395 7.089 -6.361 1.00 0.00 C ATOM 0 H THR A 22 -8.210 8.487 -4.347 1.00 0.00 H new ATOM 0 HA THR A 22 -8.861 5.617 -4.564 1.00 0.00 H new ATOM 0 HB THR A 22 -8.785 5.833 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.540 7.965 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.757 7.262 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.948 6.262 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.544 7.989 -5.764 1.00 0.00 H new ATOM 293 N SER A 23 -6.142 6.698 -4.048 1.00 0.00 N ATOM 294 CA SER A 23 -4.695 6.524 -4.006 1.00 0.00 C ATOM 295 C SER A 23 -4.162 6.744 -2.593 1.00 0.00 C ATOM 296 O SER A 23 -4.878 7.226 -1.715 1.00 0.00 O ATOM 297 CB SER A 23 -4.015 7.491 -4.976 1.00 0.00 C ATOM 298 OG SER A 23 -4.663 7.490 -6.236 1.00 0.00 O ATOM 0 H SER A 23 -6.531 7.190 -3.244 1.00 0.00 H new ATOM 0 HA SER A 23 -4.468 5.501 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.027 8.498 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.969 7.210 -5.101 1.00 0.00 H new ATOM 0 HG SER A 23 -5.071 6.613 -6.393 1.00 0.00 H new ATOM 304 N VAL A 24 -2.900 6.386 -2.381 1.00 0.00 N ATOM 305 CA VAL A 24 -2.269 6.545 -1.076 1.00 0.00 C ATOM 306 C VAL A 24 -0.752 6.617 -1.204 1.00 0.00 C ATOM 307 O VAL A 24 -0.174 6.117 -2.170 1.00 0.00 O ATOM 308 CB VAL A 24 -2.639 5.388 -0.129 1.00 0.00 C ATOM 309 CG1 VAL A 24 -1.943 5.553 1.213 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.148 5.308 0.050 1.00 0.00 C ATOM 0 H VAL A 24 -2.294 5.984 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.640 7.480 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.299 4.453 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.216 4.726 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.863 5.557 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.250 6.494 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.392 4.485 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.514 6.243 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.621 5.138 -0.917 1.00 0.00 H new ATOM 320 N THR A 25 -0.109 7.243 -0.222 1.00 0.00 N ATOM 321 CA THR A 25 1.342 7.381 -0.225 1.00 0.00 C ATOM 322 C THR A 25 1.962 6.685 0.981 1.00 0.00 C ATOM 323 O THR A 25 1.797 7.126 2.119 1.00 0.00 O ATOM 324 CB THR A 25 1.765 8.862 -0.222 1.00 0.00 C ATOM 325 OG1 THR A 25 0.966 9.602 -1.153 1.00 0.00 O ATOM 326 CG2 THR A 25 3.236 9.005 -0.582 1.00 0.00 C ATOM 0 H THR A 25 -0.571 7.662 0.585 1.00 0.00 H new ATOM 0 HA THR A 25 1.703 6.909 -1.139 1.00 0.00 H new ATOM 0 HB THR A 25 1.613 9.259 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.358 10.490 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.512 10.059 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.843 8.465 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.409 8.593 -1.576 1.00 0.00 H new ATOM 334 N LEU A 26 2.678 5.595 0.725 1.00 0.00 N ATOM 335 CA LEU A 26 3.325 4.837 1.790 1.00 0.00 C ATOM 336 C LEU A 26 4.839 5.013 1.741 1.00 0.00 C ATOM 337 O LEU A 26 5.444 4.988 0.669 1.00 0.00 O ATOM 338 CB LEU A 26 2.968 3.354 1.677 1.00 0.00 C ATOM 339 CG LEU A 26 3.249 2.499 2.914 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.224 2.782 4.001 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.252 1.021 2.551 1.00 0.00 C ATOM 0 H LEU A 26 2.825 5.217 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 26 2.964 5.219 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.908 3.273 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.518 2.932 0.836 1.00 0.00 H new ATOM 0 HG LEU A 26 4.236 2.760 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.439 2.165 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.271 3.835 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.226 2.549 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.453 0.428 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.280 0.745 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.025 0.831 1.806 1.00 0.00 H new ATOM 353 N THR A 27 5.448 5.189 2.910 1.00 0.00 N ATOM 354 CA THR A 27 6.891 5.368 3.001 1.00 0.00 C ATOM 355 C THR A 27 7.520 4.314 3.905 1.00 0.00 C ATOM 356 O THR A 27 6.821 3.618 4.641 1.00 0.00 O ATOM 357 CB THR A 27 7.251 6.767 3.534 1.00 0.00 C ATOM 358 OG1 THR A 27 6.342 7.144 4.574 1.00 0.00 O ATOM 359 CG2 THR A 27 7.210 7.799 2.418 1.00 0.00 C ATOM 0 H THR A 27 4.963 5.211 3.807 1.00 0.00 H new ATOM 0 HA THR A 27 7.287 5.259 1.991 1.00 0.00 H new ATOM 0 HB THR A 27 8.264 6.729 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.948 6.340 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.468 8.779 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.925 7.525 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.208 7.834 1.991 1.00 0.00 H new ATOM 367 N TRP A 28 8.842 4.203 3.846 1.00 0.00 N ATOM 368 CA TRP A 28 9.565 3.234 4.661 1.00 0.00 C ATOM 369 C TRP A 28 11.071 3.398 4.494 1.00 0.00 C ATOM 370 O TRP A 28 11.531 4.183 3.666 1.00 0.00 O ATOM 371 CB TRP A 28 9.149 1.810 4.286 1.00 0.00 C ATOM 372 CG TRP A 28 9.493 1.444 2.874 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.645 0.854 2.438 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.678 1.645 1.714 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.595 0.677 1.076 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.399 1.153 0.609 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.410 2.191 1.502 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.892 1.192 -0.688 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.908 2.230 0.215 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.648 1.733 -0.866 1.00 0.00 C ATOM 0 H TRP A 28 9.435 4.772 3.242 1.00 0.00 H new ATOM 0 HA TRP A 28 9.313 3.415 5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.633 1.107 4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.074 1.703 4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.473 0.569 3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.330 0.259 0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.832 2.576 2.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.460 0.809 -1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.929 2.651 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.228 1.778 -1.860 1.00 0.00 H new ATOM 391 N ASP A 29 11.835 2.652 5.286 1.00 0.00 N ATOM 392 CA ASP A 29 13.290 2.714 5.224 1.00 0.00 C ATOM 393 C ASP A 29 13.861 1.453 4.583 1.00 0.00 C ATOM 394 O ASP A 29 13.255 0.383 4.647 1.00 0.00 O ATOM 395 CB ASP A 29 13.874 2.898 6.625 1.00 0.00 C ATOM 396 CG ASP A 29 13.984 4.358 7.020 1.00 0.00 C ATOM 397 OD1 ASP A 29 12.955 4.946 7.414 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.099 4.913 6.934 1.00 0.00 O ATOM 0 H ASP A 29 11.470 1.998 5.978 1.00 0.00 H new ATOM 0 HA ASP A 29 13.567 3.570 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.248 2.375 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.861 2.438 6.667 1.00 0.00 H new ATOM 403 N SER A 30 15.030 1.586 3.965 1.00 0.00 N ATOM 404 CA SER A 30 15.681 0.459 3.308 1.00 0.00 C ATOM 405 C SER A 30 15.634 -0.785 4.191 1.00 0.00 C ATOM 406 O SER A 30 15.231 -1.859 3.749 1.00 0.00 O ATOM 407 CB SER A 30 17.132 0.805 2.972 1.00 0.00 C ATOM 408 OG SER A 30 17.219 1.492 1.735 1.00 0.00 O ATOM 0 H SER A 30 15.546 2.464 3.906 1.00 0.00 H new ATOM 0 HA SER A 30 15.143 0.249 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.555 1.422 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.726 -0.108 2.927 1.00 0.00 H new ATOM 0 HG SER A 30 18.157 1.704 1.544 1.00 0.00 H new ATOM 414 N GLY A 31 16.052 -0.629 5.444 1.00 0.00 N ATOM 415 CA GLY A 31 16.051 -1.746 6.370 1.00 0.00 C ATOM 416 C GLY A 31 17.259 -2.645 6.196 1.00 0.00 C ATOM 417 O GLY A 31 17.803 -3.160 7.172 1.00 0.00 O ATOM 0 H GLY A 31 16.391 0.251 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.028 -1.367 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.143 -2.331 6.227 1.00 0.00 H new ATOM 421 N ASN A 32 17.680 -2.835 4.950 1.00 0.00 N ATOM 422 CA ASN A 32 18.830 -3.679 4.651 1.00 0.00 C ATOM 423 C ASN A 32 20.034 -2.834 4.245 1.00 0.00 C ATOM 424 O ASN A 32 19.931 -1.616 4.103 1.00 0.00 O ATOM 425 CB ASN A 32 18.488 -4.668 3.536 1.00 0.00 C ATOM 426 CG ASN A 32 17.532 -5.752 3.997 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.942 -6.880 4.272 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.251 -5.413 4.084 1.00 0.00 N ATOM 0 H ASN A 32 17.241 -2.415 4.131 1.00 0.00 H new ATOM 0 HA ASN A 32 19.085 -4.234 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.045 -4.129 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.405 -5.128 3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.561 -6.100 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.957 -4.466 3.846 1.00 0.00 H new ATOM 475 N VAL A 36 19.499 -4.195 -2.845 1.00 0.00 N ATOM 476 CA VAL A 36 18.281 -4.904 -3.218 1.00 0.00 C ATOM 477 C VAL A 36 17.879 -4.589 -4.655 1.00 0.00 C ATOM 478 O VAL A 36 18.016 -3.455 -5.116 1.00 0.00 O ATOM 479 CB VAL A 36 17.113 -4.545 -2.280 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.120 -5.695 -2.199 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.633 -4.180 -0.898 1.00 0.00 C ATOM 0 HA VAL A 36 18.495 -5.969 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 36 16.595 -3.678 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.302 -5.423 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.724 -5.904 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.622 -6.583 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.795 -3.929 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.177 -5.027 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.301 -3.322 -0.975 1.00 0.00 H new ATOM 491 N THR A 37 17.382 -5.601 -5.360 1.00 0.00 N ATOM 492 CA THR A 37 16.961 -5.433 -6.745 1.00 0.00 C ATOM 493 C THR A 37 15.733 -4.536 -6.842 1.00 0.00 C ATOM 494 O THR A 37 15.741 -3.529 -7.550 1.00 0.00 O ATOM 495 CB THR A 37 16.646 -6.789 -7.405 1.00 0.00 C ATOM 496 OG1 THR A 37 17.786 -7.650 -7.324 1.00 0.00 O ATOM 497 CG2 THR A 37 16.247 -6.603 -8.861 1.00 0.00 C ATOM 0 H THR A 37 17.261 -6.545 -4.994 1.00 0.00 H new ATOM 0 HA THR A 37 17.792 -4.965 -7.273 1.00 0.00 H new ATOM 0 HB THR A 37 15.811 -7.242 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.577 -8.510 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.029 -7.574 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.361 -5.971 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.065 -6.130 -9.405 1.00 0.00 H new ATOM 505 N TYR A 38 14.678 -4.906 -6.124 1.00 0.00 N ATOM 506 CA TYR A 38 13.440 -4.135 -6.131 1.00 0.00 C ATOM 507 C TYR A 38 12.577 -4.480 -4.921 1.00 0.00 C ATOM 508 O TYR A 38 12.841 -5.452 -4.212 1.00 0.00 O ATOM 509 CB TYR A 38 12.658 -4.397 -7.419 1.00 0.00 C ATOM 510 CG TYR A 38 11.910 -5.710 -7.418 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.613 -5.793 -6.926 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.500 -6.869 -7.907 1.00 0.00 C ATOM 513 CE1 TYR A 38 9.926 -6.991 -6.922 1.00 0.00 C ATOM 514 CE2 TYR A 38 11.820 -8.071 -7.909 1.00 0.00 C ATOM 515 CZ TYR A 38 10.533 -8.128 -7.415 1.00 0.00 C ATOM 516 OH TYR A 38 9.853 -9.324 -7.413 1.00 0.00 O ATOM 0 H TYR A 38 14.655 -5.735 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 38 13.700 -3.078 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.948 -3.585 -7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.348 -4.383 -8.262 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.134 -4.905 -6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.508 -6.829 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.919 -7.038 -6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.293 -8.962 -8.295 1.00 0.00 H new ATOM 0 HH TYR A 38 10.422 -10.025 -7.795 1.00 0.00 H new ATOM 526 N TYR A 39 11.545 -3.676 -4.690 1.00 0.00 N ATOM 527 CA TYR A 39 10.643 -3.893 -3.565 1.00 0.00 C ATOM 528 C TYR A 39 9.220 -4.152 -4.050 1.00 0.00 C ATOM 529 O TYR A 39 8.750 -3.520 -4.995 1.00 0.00 O ATOM 530 CB TYR A 39 10.663 -2.685 -2.628 1.00 0.00 C ATOM 531 CG TYR A 39 11.962 -2.529 -1.869 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.164 -2.346 -2.541 1.00 0.00 C ATOM 533 CD2 TYR A 39 11.987 -2.564 -0.480 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.353 -2.204 -1.852 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.171 -2.421 0.217 1.00 0.00 C ATOM 536 CZ TYR A 39 14.351 -2.241 -0.474 1.00 0.00 C ATOM 537 OH TYR A 39 15.533 -2.099 0.217 1.00 0.00 O ATOM 0 H TYR A 39 11.312 -2.868 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 39 10.987 -4.772 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.481 -1.781 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.844 -2.775 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.169 -2.314 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.065 -2.705 0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.279 -2.065 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.173 -2.450 1.297 1.00 0.00 H new ATOM 0 HH TYR A 39 15.357 -2.148 1.180 1.00 0.00 H new ATOM 547 N GLY A 40 8.539 -5.086 -3.394 1.00 0.00 N ATOM 548 CA GLY A 40 7.176 -5.413 -3.771 1.00 0.00 C ATOM 549 C GLY A 40 6.154 -4.823 -2.819 1.00 0.00 C ATOM 550 O GLY A 40 6.484 -4.463 -1.689 1.00 0.00 O ATOM 0 H GLY A 40 8.907 -5.622 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.983 -5.046 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.060 -6.496 -3.798 1.00 0.00 H new ATOM 554 N ILE A 41 4.911 -4.720 -3.277 1.00 0.00 N ATOM 555 CA ILE A 41 3.839 -4.169 -2.458 1.00 0.00 C ATOM 556 C ILE A 41 2.570 -5.007 -2.577 1.00 0.00 C ATOM 557 O ILE A 41 2.174 -5.398 -3.674 1.00 0.00 O ATOM 558 CB ILE A 41 3.519 -2.715 -2.854 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.779 -1.852 -2.771 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.424 -2.152 -1.961 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.534 -0.393 -3.088 1.00 0.00 C ATOM 0 H ILE A 41 4.622 -5.011 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 41 4.189 -4.188 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 41 3.162 -2.704 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.199 -1.932 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.525 -2.245 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.209 -1.124 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.522 -2.755 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.755 -2.173 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.471 0.159 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.143 -0.302 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.812 0.016 -2.382 1.00 0.00 H new ATOM 573 N GLN A 42 1.938 -5.277 -1.439 1.00 0.00 N ATOM 574 CA GLN A 42 0.713 -6.068 -1.416 1.00 0.00 C ATOM 575 C GLN A 42 -0.393 -5.336 -0.663 1.00 0.00 C ATOM 576 O GLN A 42 -0.214 -4.934 0.487 1.00 0.00 O ATOM 577 CB GLN A 42 0.972 -7.430 -0.769 1.00 0.00 C ATOM 578 CG GLN A 42 1.838 -8.350 -1.615 1.00 0.00 C ATOM 579 CD GLN A 42 2.325 -9.562 -0.845 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.719 -9.967 0.147 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.427 -10.148 -1.300 1.00 0.00 N ATOM 0 H GLN A 42 2.253 -4.960 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 42 0.388 -6.219 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.453 -7.278 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.017 -7.919 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.269 -8.681 -2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.697 -7.792 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.897 -9.778 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.803 -10.968 -0.823 1.00 0.00 H new ATOM 590 N TYR A 43 -1.536 -5.167 -1.319 1.00 0.00 N ATOM 591 CA TYR A 43 -2.671 -4.481 -0.712 1.00 0.00 C ATOM 592 C TYR A 43 -3.990 -5.065 -1.209 1.00 0.00 C ATOM 593 O TYR A 43 -4.071 -5.583 -2.323 1.00 0.00 O ATOM 594 CB TYR A 43 -2.614 -2.984 -1.022 1.00 0.00 C ATOM 595 CG TYR A 43 -2.692 -2.668 -2.498 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.575 -2.792 -3.315 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.883 -2.244 -3.076 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.642 -2.503 -4.665 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.959 -1.955 -4.424 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.836 -2.086 -5.215 1.00 0.00 C ATOM 601 OH TYR A 43 -2.908 -1.797 -6.558 1.00 0.00 O ATOM 0 H TYR A 43 -1.701 -5.495 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.615 -4.624 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.435 -2.484 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.688 -2.573 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.639 -3.120 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.764 -2.139 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.764 -2.603 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.893 -1.628 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.138 -2.609 -7.056 1.00 0.00 H new ATOM 611 N ARG A 44 -5.020 -4.975 -0.375 1.00 0.00 N ATOM 612 CA ARG A 44 -6.336 -5.495 -0.728 1.00 0.00 C ATOM 613 C ARG A 44 -7.376 -5.094 0.314 1.00 0.00 C ATOM 614 O ARG A 44 -7.063 -4.952 1.495 1.00 0.00 O ATOM 615 CB ARG A 44 -6.289 -7.018 -0.858 1.00 0.00 C ATOM 616 CG ARG A 44 -7.624 -7.694 -0.594 1.00 0.00 C ATOM 617 CD ARG A 44 -7.573 -9.177 -0.923 1.00 0.00 C ATOM 618 NE ARG A 44 -8.877 -9.692 -1.333 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.377 -9.537 -2.554 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.686 -8.886 -3.480 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.571 -10.035 -2.851 1.00 0.00 N ATOM 0 H ARG A 44 -4.969 -4.547 0.550 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.623 -5.065 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.952 -7.278 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.549 -7.411 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.899 -7.562 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.400 -7.214 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.849 -9.347 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.223 -9.730 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.434 -10.198 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.768 -8.503 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.073 -8.769 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.105 -10.537 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.954 -9.916 -3.789 1.00 0.00 H new ATOM 635 N ALA A 45 -8.615 -4.914 -0.133 1.00 0.00 N ATOM 636 CA ALA A 45 -9.701 -4.531 0.760 1.00 0.00 C ATOM 637 C ALA A 45 -9.542 -5.185 2.129 1.00 0.00 C ATOM 638 O ALA A 45 -9.519 -6.410 2.243 1.00 0.00 O ATOM 639 CB ALA A 45 -11.044 -4.903 0.148 1.00 0.00 C ATOM 0 H ALA A 45 -8.891 -5.027 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.663 -3.450 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.846 -4.611 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.166 -4.385 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.083 -5.980 -0.018 1.00 0.00 H new ATOM 732 N GLN A 53 -3.131 -7.975 -3.681 1.00 0.00 N ATOM 733 CA GLN A 53 -2.506 -7.451 -4.889 1.00 0.00 C ATOM 734 C GLN A 53 -0.992 -7.627 -4.839 1.00 0.00 C ATOM 735 O GLN A 53 -0.422 -7.878 -3.777 1.00 0.00 O ATOM 736 CB GLN A 53 -2.853 -5.973 -5.069 1.00 0.00 C ATOM 737 CG GLN A 53 -4.313 -5.729 -5.417 1.00 0.00 C ATOM 738 CD GLN A 53 -4.515 -4.469 -6.236 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.801 -4.225 -7.208 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.493 -3.659 -5.845 1.00 0.00 N ATOM 0 HA GLN A 53 -2.891 -8.013 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.613 -5.437 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.226 -5.554 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.698 -6.584 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.895 -5.658 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.061 -3.900 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.676 -2.796 -6.357 1.00 0.00 H new ATOM 749 N GLU A 54 -0.346 -7.494 -5.993 1.00 0.00 N ATOM 750 CA GLU A 54 1.102 -7.640 -6.079 1.00 0.00 C ATOM 751 C GLU A 54 1.693 -6.634 -7.062 1.00 0.00 C ATOM 752 O GLU A 54 1.278 -6.562 -8.219 1.00 0.00 O ATOM 753 CB GLU A 54 1.469 -9.063 -6.506 1.00 0.00 C ATOM 754 CG GLU A 54 2.847 -9.502 -6.039 1.00 0.00 C ATOM 755 CD GLU A 54 3.021 -11.008 -6.071 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.004 -11.726 -5.967 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.175 -11.469 -6.202 1.00 0.00 O ATOM 0 H GLU A 54 -0.802 -7.285 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 54 1.520 -7.445 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.724 -9.755 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.424 -9.130 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.605 -9.039 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.014 -9.142 -5.024 1.00 0.00 H new ATOM 764 N VAL A 55 2.665 -5.857 -6.593 1.00 0.00 N ATOM 765 CA VAL A 55 3.314 -4.855 -7.429 1.00 0.00 C ATOM 766 C VAL A 55 4.830 -5.011 -7.398 1.00 0.00 C ATOM 767 O VAL A 55 5.446 -4.976 -6.333 1.00 0.00 O ATOM 768 CB VAL A 55 2.947 -3.428 -6.982 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.675 -2.398 -7.832 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.441 -3.219 -7.050 1.00 0.00 C ATOM 0 H VAL A 55 3.020 -5.903 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 55 2.956 -5.013 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 55 3.263 -3.298 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.403 -1.396 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.751 -2.535 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.393 -2.524 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.200 -2.205 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.099 -3.368 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.944 -3.934 -6.394 1.00 0.00 H new ATOM 780 N ASP A 56 5.426 -5.184 -8.573 1.00 0.00 N ATOM 781 CA ASP A 56 6.871 -5.345 -8.681 1.00 0.00 C ATOM 782 C ASP A 56 7.483 -4.214 -9.502 1.00 0.00 C ATOM 783 O ASP A 56 6.922 -3.792 -10.512 1.00 0.00 O ATOM 784 CB ASP A 56 7.210 -6.694 -9.316 1.00 0.00 C ATOM 785 CG ASP A 56 6.906 -6.727 -10.801 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.713 -6.811 -11.161 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.861 -6.669 -11.603 1.00 0.00 O ATOM 0 H ASP A 56 4.930 -5.216 -9.464 1.00 0.00 H new ATOM 0 HA ASP A 56 7.292 -5.310 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.267 -6.911 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.646 -7.480 -8.815 1.00 0.00 H new ATOM 792 N GLY A 57 8.639 -3.727 -9.059 1.00 0.00 N ATOM 793 CA GLY A 57 9.308 -2.648 -9.764 1.00 0.00 C ATOM 794 C GLY A 57 9.410 -1.387 -8.930 1.00 0.00 C ATOM 795 O GLY A 57 9.246 -0.280 -9.443 1.00 0.00 O ATOM 0 H GLY A 57 9.124 -4.060 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.308 -2.971 -10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.767 -2.429 -10.684 1.00 0.00 H new ATOM 799 N VAL A 58 9.682 -1.553 -7.639 1.00 0.00 N ATOM 800 CA VAL A 58 9.806 -0.418 -6.732 1.00 0.00 C ATOM 801 C VAL A 58 11.242 -0.256 -6.248 1.00 0.00 C ATOM 802 O VAL A 58 11.612 -0.762 -5.189 1.00 0.00 O ATOM 803 CB VAL A 58 8.879 -0.572 -5.512 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.870 0.704 -4.684 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.471 -0.939 -5.955 1.00 0.00 C ATOM 0 H VAL A 58 9.821 -2.462 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 58 9.513 0.469 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 58 9.261 -1.380 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.210 0.576 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.880 0.919 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.514 1.532 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.830 -1.044 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.077 -0.155 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.496 -1.882 -6.502 1.00 0.00 H new ATOM 815 N ALA A 59 12.048 0.455 -7.031 1.00 0.00 N ATOM 816 CA ALA A 59 13.444 0.686 -6.682 1.00 0.00 C ATOM 817 C ALA A 59 13.594 1.939 -5.826 1.00 0.00 C ATOM 818 O ALA A 59 14.610 2.633 -5.894 1.00 0.00 O ATOM 819 CB ALA A 59 14.291 0.799 -7.940 1.00 0.00 C ATOM 0 H ALA A 59 11.757 0.881 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 59 13.793 -0.166 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.331 0.971 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.216 -0.125 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.934 1.632 -8.546 1.00 0.00 H new ATOM 825 N THR A 60 12.577 2.225 -5.019 1.00 0.00 N ATOM 826 CA THR A 60 12.596 3.396 -4.151 1.00 0.00 C ATOM 827 C THR A 60 12.103 3.050 -2.751 1.00 0.00 C ATOM 828 O THR A 60 11.607 1.949 -2.509 1.00 0.00 O ATOM 829 CB THR A 60 11.727 4.533 -4.722 1.00 0.00 C ATOM 830 OG1 THR A 60 10.468 4.013 -5.164 1.00 0.00 O ATOM 831 CG2 THR A 60 12.431 5.222 -5.881 1.00 0.00 C ATOM 0 H THR A 60 11.730 1.662 -4.949 1.00 0.00 H new ATOM 0 HA THR A 60 13.631 3.732 -4.096 1.00 0.00 H new ATOM 0 HB THR A 60 11.560 5.265 -3.932 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.744 4.428 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.798 6.021 -6.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.375 5.642 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.624 4.497 -6.672 1.00 0.00 H new ATOM 839 N THR A 61 12.242 3.998 -1.828 1.00 0.00 N ATOM 840 CA THR A 61 11.811 3.793 -0.451 1.00 0.00 C ATOM 841 C THR A 61 10.365 4.234 -0.256 1.00 0.00 C ATOM 842 O THR A 61 9.696 3.803 0.684 1.00 0.00 O ATOM 843 CB THR A 61 12.708 4.561 0.538 1.00 0.00 C ATOM 844 OG1 THR A 61 12.898 5.906 0.085 1.00 0.00 O ATOM 845 CG2 THR A 61 14.058 3.876 0.688 1.00 0.00 C ATOM 0 H THR A 61 12.650 4.915 -2.010 1.00 0.00 H new ATOM 0 HA THR A 61 11.892 2.725 -0.250 1.00 0.00 H new ATOM 0 HB THR A 61 12.213 4.572 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.468 6.388 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.674 4.436 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.912 2.862 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.556 3.838 -0.281 1.00 0.00 H new ATOM 853 N ARG A 62 9.888 5.094 -1.149 1.00 0.00 N ATOM 854 CA ARG A 62 8.520 5.594 -1.074 1.00 0.00 C ATOM 855 C ARG A 62 7.743 5.243 -2.340 1.00 0.00 C ATOM 856 O ARG A 62 8.239 5.416 -3.453 1.00 0.00 O ATOM 857 CB ARG A 62 8.519 7.109 -0.865 1.00 0.00 C ATOM 858 CG ARG A 62 7.152 7.748 -1.049 1.00 0.00 C ATOM 859 CD ARG A 62 7.204 9.251 -0.821 1.00 0.00 C ATOM 860 NE ARG A 62 7.999 9.932 -1.839 1.00 0.00 N ATOM 861 CZ ARG A 62 9.318 10.073 -1.769 1.00 0.00 C ATOM 862 NH1 ARG A 62 9.987 9.582 -0.734 1.00 0.00 N ATOM 863 NH2 ARG A 62 9.972 10.705 -2.735 1.00 0.00 N ATOM 0 H ARG A 62 10.428 5.459 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 62 8.031 5.117 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.881 7.329 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.221 7.564 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.786 7.544 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.442 7.298 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.191 9.653 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.625 9.454 0.164 1.00 0.00 H new ATOM 0 HE ARG A 62 7.515 10.321 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.489 9.095 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.000 9.692 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.462 11.084 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.985 10.812 -2.680 1.00 0.00 H new ATOM 877 N TYR A 63 6.523 4.750 -2.161 1.00 0.00 N ATOM 878 CA TYR A 63 5.678 4.372 -3.287 1.00 0.00 C ATOM 879 C TYR A 63 4.221 4.737 -3.023 1.00 0.00 C ATOM 880 O TYR A 63 3.757 4.699 -1.883 1.00 0.00 O ATOM 881 CB TYR A 63 5.798 2.872 -3.561 1.00 0.00 C ATOM 882 CG TYR A 63 5.023 2.414 -4.776 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.612 2.400 -6.035 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.703 1.997 -4.666 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.907 1.984 -7.148 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.991 1.577 -5.773 1.00 0.00 C ATOM 887 CZ TYR A 63 3.598 1.573 -7.012 1.00 0.00 C ATOM 888 OH TYR A 63 2.892 1.157 -8.118 1.00 0.00 O ATOM 0 H TYR A 63 6.097 4.603 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 63 6.018 4.923 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.850 2.619 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.446 2.322 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.638 2.720 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.224 2.001 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.379 1.981 -8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.966 1.254 -5.669 1.00 0.00 H new ATOM 0 HH TYR A 63 1.985 0.900 -7.850 1.00 0.00 H new ATOM 898 N SER A 64 3.504 5.091 -4.085 1.00 0.00 N ATOM 899 CA SER A 64 2.100 5.466 -3.968 1.00 0.00 C ATOM 900 C SER A 64 1.207 4.459 -4.686 1.00 0.00 C ATOM 901 O SER A 64 1.426 4.143 -5.856 1.00 0.00 O ATOM 902 CB SER A 64 1.875 6.866 -4.544 1.00 0.00 C ATOM 903 OG SER A 64 2.735 7.812 -3.933 1.00 0.00 O ATOM 0 H SER A 64 3.872 5.126 -5.036 1.00 0.00 H new ATOM 0 HA SER A 64 1.837 5.469 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.049 6.853 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.837 7.162 -4.393 1.00 0.00 H new ATOM 0 HG SER A 64 2.573 8.698 -4.319 1.00 0.00 H new ATOM 909 N ILE A 65 0.201 3.959 -3.977 1.00 0.00 N ATOM 910 CA ILE A 65 -0.726 2.989 -4.547 1.00 0.00 C ATOM 911 C ILE A 65 -1.976 3.675 -5.088 1.00 0.00 C ATOM 912 O ILE A 65 -2.443 4.667 -4.531 1.00 0.00 O ATOM 913 CB ILE A 65 -1.144 1.932 -3.507 1.00 0.00 C ATOM 914 CG1 ILE A 65 0.081 1.159 -3.013 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.173 0.982 -4.102 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.753 1.793 -1.816 1.00 0.00 C ATOM 0 H ILE A 65 0.007 4.209 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.202 2.495 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.597 2.440 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.220 0.144 -2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.803 1.081 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.459 0.241 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.054 1.546 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.745 0.478 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.613 1.192 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.085 2.798 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.046 1.847 -0.988 1.00 0.00 H new ATOM 928 N GLY A 66 -2.515 3.137 -6.178 1.00 0.00 N ATOM 929 CA GLY A 66 -3.707 3.709 -6.776 1.00 0.00 C ATOM 930 C GLY A 66 -4.698 2.651 -7.221 1.00 0.00 C ATOM 931 O GLY A 66 -4.371 1.466 -7.268 1.00 0.00 O ATOM 0 H GLY A 66 -2.147 2.315 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.187 4.373 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.423 4.319 -7.633 1.00 0.00 H new ATOM 935 N GLY A 67 -5.913 3.080 -7.546 1.00 0.00 N ATOM 936 CA GLY A 67 -6.937 2.148 -7.983 1.00 0.00 C ATOM 937 C GLY A 67 -7.749 1.596 -6.828 1.00 0.00 C ATOM 938 O GLY A 67 -8.237 0.467 -6.886 1.00 0.00 O ATOM 0 H GLY A 67 -6.207 4.056 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.604 2.648 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.468 1.324 -8.520 1.00 0.00 H new ATOM 942 N LEU A 68 -7.895 2.393 -5.775 1.00 0.00 N ATOM 943 CA LEU A 68 -8.653 1.978 -4.600 1.00 0.00 C ATOM 944 C LEU A 68 -10.018 2.658 -4.565 1.00 0.00 C ATOM 945 O LEU A 68 -10.366 3.421 -5.466 1.00 0.00 O ATOM 946 CB LEU A 68 -7.874 2.305 -3.325 1.00 0.00 C ATOM 947 CG LEU A 68 -6.478 1.692 -3.216 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.725 2.286 -2.035 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.568 0.179 -3.086 1.00 0.00 C ATOM 0 H LEU A 68 -7.498 3.330 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.806 0.900 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.780 3.388 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.462 1.974 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.928 1.926 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.733 1.838 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.628 3.363 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.273 2.083 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.565 -0.240 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.137 -0.076 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.067 -0.233 -3.963 1.00 0.00 H new ATOM 961 N SER A 69 -10.786 2.378 -3.517 1.00 0.00 N ATOM 962 CA SER A 69 -12.114 2.961 -3.364 1.00 0.00 C ATOM 963 C SER A 69 -12.107 4.058 -2.304 1.00 0.00 C ATOM 964 O SER A 69 -11.392 3.986 -1.304 1.00 0.00 O ATOM 965 CB SER A 69 -13.129 1.880 -2.989 1.00 0.00 C ATOM 966 OG SER A 69 -14.313 2.453 -2.462 1.00 0.00 O ATOM 0 H SER A 69 -10.511 1.751 -2.761 1.00 0.00 H new ATOM 0 HA SER A 69 -12.401 3.403 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.370 1.283 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.691 1.204 -2.255 1.00 0.00 H new ATOM 0 HG SER A 69 -14.946 1.741 -2.232 1.00 0.00 H new ATOM 972 N PRO A 70 -12.921 5.100 -2.526 1.00 0.00 N ATOM 973 CA PRO A 70 -13.029 6.232 -1.602 1.00 0.00 C ATOM 974 C PRO A 70 -13.713 5.850 -0.294 1.00 0.00 C ATOM 975 O PRO A 70 -14.791 5.255 -0.297 1.00 0.00 O ATOM 976 CB PRO A 70 -13.879 7.243 -2.375 1.00 0.00 C ATOM 977 CG PRO A 70 -14.676 6.418 -3.326 1.00 0.00 C ATOM 978 CD PRO A 70 -13.801 5.252 -3.697 1.00 0.00 C ATOM 0 HA PRO A 70 -12.051 6.613 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.525 7.811 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.255 7.964 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.604 6.079 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.951 6.996 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.387 4.351 -3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.231 5.450 -4.605 1.00 0.00 H new ATOM 986 N PHE A 71 -13.081 6.197 0.823 1.00 0.00 N ATOM 987 CA PHE A 71 -13.630 5.889 2.139 1.00 0.00 C ATOM 988 C PHE A 71 -13.604 4.386 2.401 1.00 0.00 C ATOM 989 O PHE A 71 -14.599 3.804 2.834 1.00 0.00 O ATOM 990 CB PHE A 71 -15.063 6.414 2.252 1.00 0.00 C ATOM 991 CG PHE A 71 -15.525 6.592 3.670 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.723 7.237 4.598 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.762 6.116 4.075 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.145 7.401 5.904 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.190 6.279 5.379 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.381 6.923 6.295 1.00 0.00 C ATOM 0 H PHE A 71 -12.189 6.691 0.843 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.010 6.381 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.134 7.370 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.736 5.724 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.757 7.616 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.399 5.612 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.509 7.902 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.156 5.903 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.714 7.053 7.314 1.00 0.00 H new ATOM 1006 N SER A 72 -12.460 3.765 2.134 1.00 0.00 N ATOM 1007 CA SER A 72 -12.305 2.329 2.337 1.00 0.00 C ATOM 1008 C SER A 72 -11.019 2.023 3.098 1.00 0.00 C ATOM 1009 O SER A 72 -10.122 2.861 3.182 1.00 0.00 O ATOM 1010 CB SER A 72 -12.301 1.600 0.992 1.00 0.00 C ATOM 1011 OG SER A 72 -11.226 2.037 0.179 1.00 0.00 O ATOM 0 H SER A 72 -11.627 4.233 1.777 1.00 0.00 H new ATOM 0 HA SER A 72 -13.149 1.978 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.223 0.525 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.245 1.775 0.477 1.00 0.00 H new ATOM 0 HG SER A 72 -11.353 2.981 -0.052 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.937 0.817 3.650 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.761 0.401 4.405 1.00 0.00 C ATOM 1019 C GLU A 73 -8.937 -0.611 3.614 1.00 0.00 C ATOM 1020 O GLU A 73 -9.482 -1.535 3.010 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.177 -0.203 5.748 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.130 -0.043 6.838 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.594 -0.582 8.177 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -9.574 -1.817 8.358 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.976 0.232 9.043 1.00 0.00 O ATOM 0 H GLU A 73 -11.671 0.111 3.589 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.146 1.283 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.105 0.266 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.387 -1.264 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.218 -0.560 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.879 1.012 6.943 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.621 -0.429 3.623 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.721 -1.323 2.904 1.00 0.00 C ATOM 1034 C TYR A 74 -5.437 -1.555 3.695 1.00 0.00 C ATOM 1035 O TYR A 74 -4.950 -0.660 4.385 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.388 -0.747 1.527 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.415 -1.076 0.468 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.611 -0.373 0.390 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.190 -2.090 -0.454 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.553 -0.671 -0.575 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.126 -2.394 -1.424 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.306 -1.682 -1.481 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.241 -1.982 -2.444 1.00 0.00 O ATOM 0 H TYR A 74 -7.154 0.329 4.120 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.226 -2.280 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.296 0.336 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.417 -1.126 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.807 0.420 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.268 -2.650 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.478 -0.116 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.935 -3.185 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.912 -2.717 -3.002 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.895 -2.764 3.589 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.667 -3.114 4.291 1.00 0.00 C ATOM 1055 C ALA A 75 -2.468 -3.085 3.349 1.00 0.00 C ATOM 1056 O ALA A 75 -2.380 -3.882 2.416 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.800 -4.486 4.936 1.00 0.00 C ATOM 0 H ALA A 75 -5.287 -3.517 3.024 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.501 -2.372 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.875 -4.734 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.626 -4.475 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.995 -5.233 4.166 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.548 -2.159 3.600 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.354 -2.025 2.772 1.00 0.00 C ATOM 1065 C PHE A 76 0.848 -2.684 3.441 1.00 0.00 C ATOM 1066 O PHE A 76 1.075 -2.516 4.639 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.057 -0.548 2.505 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.196 0.184 1.853 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.444 0.040 0.498 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.017 1.017 2.596 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.491 0.712 -0.105 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.066 1.691 1.999 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.302 1.539 0.647 1.00 0.00 C ATOM 0 H PHE A 76 -1.606 -1.491 4.369 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.541 -2.529 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.187 -0.058 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.825 -0.472 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.812 -0.605 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.835 1.141 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.674 0.590 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.700 2.336 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.120 2.066 0.178 1.00 0.00 H new ATOM 1083 N ARG A 77 1.615 -3.435 2.657 1.00 0.00 N ATOM 1084 CA ARG A 77 2.794 -4.122 3.173 1.00 0.00 C ATOM 1085 C ARG A 77 3.887 -4.198 2.111 1.00 0.00 C ATOM 1086 O ARG A 77 3.656 -4.677 1.001 1.00 0.00 O ATOM 1087 CB ARG A 77 2.425 -5.530 3.643 1.00 0.00 C ATOM 1088 CG ARG A 77 2.006 -6.458 2.514 1.00 0.00 C ATOM 1089 CD ARG A 77 1.539 -7.805 3.045 1.00 0.00 C ATOM 1090 NE ARG A 77 0.105 -7.818 3.319 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.493 -8.740 4.066 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.217 -9.718 4.611 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.803 -8.684 4.269 1.00 0.00 N ATOM 0 H ARG A 77 1.442 -3.583 1.663 1.00 0.00 H new ATOM 0 HA ARG A 77 3.174 -3.552 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.278 -5.966 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.612 -5.461 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.204 -5.994 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.844 -6.605 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.776 -8.583 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.085 -8.044 3.958 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.470 -7.079 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.224 -9.764 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.244 -10.425 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.352 -7.933 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.261 -9.392 4.843 1.00 0.00 H new ATOM 1107 N VAL A 78 5.078 -3.721 2.460 1.00 0.00 N ATOM 1108 CA VAL A 78 6.207 -3.736 1.537 1.00 0.00 C ATOM 1109 C VAL A 78 7.208 -4.822 1.912 1.00 0.00 C ATOM 1110 O VAL A 78 7.282 -5.243 3.067 1.00 0.00 O ATOM 1111 CB VAL A 78 6.928 -2.375 1.512 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.931 -2.324 0.369 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.920 -1.241 1.399 1.00 0.00 C ATOM 0 H VAL A 78 5.286 -3.320 3.374 1.00 0.00 H new ATOM 0 HA VAL A 78 5.804 -3.944 0.546 1.00 0.00 H new ATOM 0 HB VAL A 78 7.473 -2.254 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.431 -1.355 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.671 -3.114 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.411 -2.466 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.446 -0.287 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.346 -1.355 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.244 -1.268 2.254 1.00 0.00 H new ATOM 1123 N LEU A 79 7.979 -5.273 0.928 1.00 0.00 N ATOM 1124 CA LEU A 79 8.979 -6.311 1.154 1.00 0.00 C ATOM 1125 C LEU A 79 10.129 -6.185 0.160 1.00 0.00 C ATOM 1126 O LEU A 79 9.914 -5.916 -1.022 1.00 0.00 O ATOM 1127 CB LEU A 79 8.339 -7.696 1.038 1.00 0.00 C ATOM 1128 CG LEU A 79 7.520 -7.953 -0.227 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.406 -8.502 -1.334 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.374 -8.911 0.065 1.00 0.00 C ATOM 0 H LEU A 79 7.931 -4.936 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 79 9.378 -6.184 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.129 -8.445 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.693 -7.849 1.902 1.00 0.00 H new ATOM 0 HG LEU A 79 7.099 -7.005 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.806 -8.679 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.192 -7.782 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.857 -9.440 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.802 -9.082 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.775 -9.858 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.724 -8.479 0.826 1.00 0.00 H new ATOM 1142 N ALA A 80 11.349 -6.384 0.647 1.00 0.00 N ATOM 1143 CA ALA A 80 12.533 -6.296 -0.199 1.00 0.00 C ATOM 1144 C ALA A 80 12.663 -7.527 -1.090 1.00 0.00 C ATOM 1145 O ALA A 80 12.260 -8.627 -0.710 1.00 0.00 O ATOM 1146 CB ALA A 80 13.781 -6.126 0.654 1.00 0.00 C ATOM 0 H ALA A 80 11.544 -6.607 1.623 1.00 0.00 H new ATOM 0 HA ALA A 80 12.425 -5.423 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.657 -6.062 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.697 -5.213 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.884 -6.981 1.322 1.00 0.00 H new ATOM 1152 N VAL A 81 13.229 -7.336 -2.278 1.00 0.00 N ATOM 1153 CA VAL A 81 13.412 -8.431 -3.222 1.00 0.00 C ATOM 1154 C VAL A 81 14.701 -8.260 -4.019 1.00 0.00 C ATOM 1155 O VAL A 81 14.963 -7.193 -4.573 1.00 0.00 O ATOM 1156 CB VAL A 81 12.227 -8.533 -4.200 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.337 -9.795 -5.043 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.908 -8.501 -3.444 1.00 0.00 C ATOM 0 H VAL A 81 13.568 -6.433 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 81 13.469 -9.348 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 81 12.257 -7.674 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.491 -9.850 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.265 -9.771 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.334 -10.669 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.082 -8.574 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.866 -9.340 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.829 -7.566 -2.889 1.00 0.00 H new ATOM 1168 N ASN A 82 15.503 -9.318 -4.071 1.00 0.00 N ATOM 1169 CA ASN A 82 16.766 -9.285 -4.800 1.00 0.00 C ATOM 1170 C ASN A 82 17.051 -10.633 -5.456 1.00 0.00 C ATOM 1171 O ASN A 82 16.249 -11.562 -5.363 1.00 0.00 O ATOM 1172 CB ASN A 82 17.912 -8.911 -3.859 1.00 0.00 C ATOM 1173 CG ASN A 82 18.513 -10.121 -3.170 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.405 -10.776 -3.708 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.025 -10.422 -1.972 1.00 0.00 N ATOM 0 H ASN A 82 15.301 -10.209 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 82 16.686 -8.530 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.688 -8.395 -4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.547 -8.212 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.390 -11.225 -1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.285 -9.850 -1.564 1.00 0.00 H new ATOM 1182 N SER A 83 18.199 -10.731 -6.119 1.00 0.00 N ATOM 1183 CA SER A 83 18.589 -11.964 -6.793 1.00 0.00 C ATOM 1184 C SER A 83 18.116 -13.185 -6.010 1.00 0.00 C ATOM 1185 O SER A 83 17.584 -14.136 -6.583 1.00 0.00 O ATOM 1186 CB SER A 83 20.107 -12.015 -6.971 1.00 0.00 C ATOM 1187 OG SER A 83 20.544 -11.044 -7.906 1.00 0.00 O ATOM 0 H SER A 83 18.875 -9.972 -6.204 1.00 0.00 H new ATOM 0 HA SER A 83 18.115 -11.978 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.595 -11.845 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.404 -13.008 -7.308 1.00 0.00 H new ATOM 0 HG SER A 83 21.518 -11.096 -8.001 1.00 0.00 H new ATOM 1193 N ILE A 84 18.313 -13.150 -4.696 1.00 0.00 N ATOM 1194 CA ILE A 84 17.907 -14.252 -3.833 1.00 0.00 C ATOM 1195 C ILE A 84 16.402 -14.487 -3.914 1.00 0.00 C ATOM 1196 O ILE A 84 15.952 -15.571 -4.284 1.00 0.00 O ATOM 1197 CB ILE A 84 18.296 -13.992 -2.366 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.796 -13.710 -2.256 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.910 -15.179 -1.497 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.661 -14.913 -2.563 1.00 0.00 C ATOM 0 H ILE A 84 18.751 -12.370 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 84 18.431 -15.140 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 84 17.753 -13.116 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.057 -12.901 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.019 -13.360 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.192 -14.980 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.833 -15.338 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.428 -16.071 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.712 -14.640 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.428 -15.716 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.467 -15.250 -3.581 1.00 0.00 H new ATOM 1212 N GLY A 85 15.629 -13.463 -3.567 1.00 0.00 N ATOM 1213 CA GLY A 85 14.183 -13.577 -3.609 1.00 0.00 C ATOM 1214 C GLY A 85 13.493 -12.512 -2.779 1.00 0.00 C ATOM 1215 O GLY A 85 14.141 -11.601 -2.264 1.00 0.00 O ATOM 0 H GLY A 85 15.978 -12.556 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.846 -13.503 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.889 -14.562 -3.248 1.00 0.00 H new ATOM 1219 N ARG A 86 12.175 -12.626 -2.652 1.00 0.00 N ATOM 1220 CA ARG A 86 11.396 -11.663 -1.882 1.00 0.00 C ATOM 1221 C ARG A 86 11.275 -12.103 -0.426 1.00 0.00 C ATOM 1222 O ARG A 86 10.664 -13.127 -0.125 1.00 0.00 O ATOM 1223 CB ARG A 86 10.004 -11.496 -2.493 1.00 0.00 C ATOM 1224 CG ARG A 86 9.193 -12.781 -2.522 1.00 0.00 C ATOM 1225 CD ARG A 86 8.206 -12.791 -3.678 1.00 0.00 C ATOM 1226 NE ARG A 86 7.857 -14.148 -4.088 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.113 -14.969 -3.355 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.643 -14.573 -2.181 1.00 0.00 N ATOM 1229 NH2 ARG A 86 6.839 -16.190 -3.797 1.00 0.00 N ATOM 0 H ARG A 86 11.624 -13.375 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 86 11.916 -10.705 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.456 -10.743 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.106 -11.118 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.865 -13.635 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.654 -12.894 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.302 -12.256 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.634 -12.255 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 86 8.203 -14.484 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.852 -13.636 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.072 -15.206 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.200 -16.498 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.268 -16.820 -3.234 1.00 0.00 H new ATOM 1243 N GLY A 87 11.862 -11.320 0.475 1.00 0.00 N ATOM 1244 CA GLY A 87 11.808 -11.645 1.888 1.00 0.00 C ATOM 1245 C GLY A 87 10.409 -11.525 2.458 1.00 0.00 C ATOM 1246 O GLY A 87 9.434 -11.331 1.732 1.00 0.00 O ATOM 0 H GLY A 87 12.374 -10.467 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.172 -12.661 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.478 -10.982 2.436 1.00 0.00 H new ATOM 1250 N PRO A 88 10.296 -11.642 3.789 1.00 0.00 N ATOM 1251 CA PRO A 88 9.009 -11.550 4.486 1.00 0.00 C ATOM 1252 C PRO A 88 8.439 -10.136 4.464 1.00 0.00 C ATOM 1253 O PRO A 88 9.170 -9.146 4.429 1.00 0.00 O ATOM 1254 CB PRO A 88 9.351 -11.967 5.919 1.00 0.00 C ATOM 1255 CG PRO A 88 10.799 -11.650 6.070 1.00 0.00 C ATOM 1256 CD PRO A 88 11.416 -11.874 4.717 1.00 0.00 C ATOM 0 HA PRO A 88 8.246 -12.172 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.748 -11.421 6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.159 -13.028 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.941 -10.620 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.262 -12.290 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.240 -11.185 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.816 -12.883 4.620 1.00 0.00 H new ATOM 1264 N PRO A 89 7.101 -10.037 4.486 1.00 0.00 N ATOM 1265 CA PRO A 89 6.403 -8.748 4.470 1.00 0.00 C ATOM 1266 C PRO A 89 6.579 -7.977 5.774 1.00 0.00 C ATOM 1267 O PRO A 89 6.533 -8.556 6.860 1.00 0.00 O ATOM 1268 CB PRO A 89 4.936 -9.142 4.276 1.00 0.00 C ATOM 1269 CG PRO A 89 4.841 -10.527 4.815 1.00 0.00 C ATOM 1270 CD PRO A 89 6.168 -11.175 4.528 1.00 0.00 C ATOM 0 HA PRO A 89 6.788 -8.086 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.270 -8.463 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.652 -9.106 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.635 -10.516 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.028 -11.076 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.442 -11.891 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.154 -11.718 3.583 1.00 0.00 H new ATOM 1278 N SER A 90 6.781 -6.668 5.660 1.00 0.00 N ATOM 1279 CA SER A 90 6.967 -5.819 6.830 1.00 0.00 C ATOM 1280 C SER A 90 5.659 -5.659 7.600 1.00 0.00 C ATOM 1281 O SER A 90 4.606 -6.110 7.153 1.00 0.00 O ATOM 1282 CB SER A 90 7.497 -4.446 6.411 1.00 0.00 C ATOM 1283 OG SER A 90 7.338 -3.499 7.453 1.00 0.00 O ATOM 0 H SER A 90 6.820 -6.173 4.769 1.00 0.00 H new ATOM 0 HA SER A 90 7.696 -6.298 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.551 -4.525 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.968 -4.105 5.521 1.00 0.00 H new ATOM 0 HG SER A 90 8.219 -3.209 7.769 1.00 0.00 H new ATOM 1289 N GLU A 91 5.737 -5.013 8.759 1.00 0.00 N ATOM 1290 CA GLU A 91 4.560 -4.794 9.591 1.00 0.00 C ATOM 1291 C GLU A 91 3.418 -4.200 8.773 1.00 0.00 C ATOM 1292 O GLU A 91 3.362 -2.991 8.551 1.00 0.00 O ATOM 1293 CB GLU A 91 4.900 -3.867 10.761 1.00 0.00 C ATOM 1294 CG GLU A 91 5.565 -4.578 11.927 1.00 0.00 C ATOM 1295 CD GLU A 91 6.098 -3.615 12.970 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.294 -2.839 13.528 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.320 -3.637 13.228 1.00 0.00 O ATOM 0 H GLU A 91 6.602 -4.633 9.143 1.00 0.00 H new ATOM 0 HA GLU A 91 4.239 -5.759 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.559 -3.074 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.986 -3.388 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.847 -5.252 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.384 -5.193 11.554 1.00 0.00 H new ATOM 1304 N ALA A 92 2.508 -5.060 8.326 1.00 0.00 N ATOM 1305 CA ALA A 92 1.366 -4.621 7.533 1.00 0.00 C ATOM 1306 C ALA A 92 0.645 -3.459 8.206 1.00 0.00 C ATOM 1307 O ALA A 92 0.240 -3.554 9.365 1.00 0.00 O ATOM 1308 CB ALA A 92 0.407 -5.780 7.304 1.00 0.00 C ATOM 0 H ALA A 92 2.540 -6.065 8.500 1.00 0.00 H new ATOM 0 HA ALA A 92 1.736 -4.274 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.441 -5.439 6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.923 -6.580 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.051 -6.153 8.264 1.00 0.00 H new ATOM 1314 N VAL A 93 0.487 -2.362 7.473 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.187 -1.181 8.000 1.00 0.00 C ATOM 1316 C VAL A 93 -1.567 -1.011 7.375 1.00 0.00 C ATOM 1317 O VAL A 93 -1.788 -1.382 6.222 1.00 0.00 O ATOM 1318 CB VAL A 93 0.639 0.095 7.748 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.009 -0.018 8.397 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.767 0.360 6.255 1.00 0.00 C ATOM 0 H VAL A 93 0.816 -2.266 6.512 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.294 -1.330 9.074 1.00 0.00 H new ATOM 0 HB VAL A 93 0.118 0.939 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.577 0.893 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.892 -0.156 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.541 -0.872 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.353 1.265 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.264 -0.484 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.225 0.489 5.822 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.493 -0.448 8.144 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.853 -0.229 7.667 1.00 0.00 C ATOM 1332 C ARG A 94 -4.156 1.262 7.552 1.00 0.00 C ATOM 1333 O ARG A 94 -4.059 2.002 8.530 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.860 -0.894 8.608 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.003 -2.391 8.387 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.248 -2.938 9.068 1.00 0.00 C ATOM 1337 NE ARG A 94 -5.991 -3.315 10.456 1.00 0.00 N ATOM 1338 CZ ARG A 94 -6.007 -2.454 11.467 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -6.266 -1.172 11.246 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.764 -2.873 12.702 1.00 0.00 N ATOM 0 H ARG A 94 -2.326 -0.135 9.100 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.940 -0.677 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.554 -0.715 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.833 -0.421 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.050 -2.599 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.121 -2.903 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.038 -2.188 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.611 -3.806 8.518 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.788 -4.294 10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.453 -0.846 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.278 -0.513 12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.564 -3.858 12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.777 -2.210 13.477 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.523 1.695 6.350 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.842 3.096 6.108 1.00 0.00 C ATOM 1356 C ALA A 95 -6.163 3.237 5.360 1.00 0.00 C ATOM 1357 O ALA A 95 -6.360 2.629 4.308 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.719 3.766 5.330 1.00 0.00 C ATOM 0 H ALA A 95 -4.607 1.095 5.529 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.947 3.591 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.971 4.812 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.793 3.706 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.587 3.261 4.373 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.066 4.042 5.910 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.370 4.261 5.295 1.00 0.00 C ATOM 1366 C ARG A 96 -8.321 5.433 4.319 1.00 0.00 C ATOM 1367 O ARG A 96 -7.978 6.555 4.694 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.427 4.523 6.370 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.841 4.181 5.930 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.851 4.466 7.031 1.00 0.00 C ATOM 1371 NE ARG A 96 -13.199 4.044 6.659 1.00 0.00 N ATOM 1372 CZ ARG A 96 -14.275 4.288 7.398 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -14.162 4.948 8.543 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -15.468 3.873 6.992 1.00 0.00 N ATOM 0 H ARG A 96 -6.919 4.553 6.780 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.639 3.361 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.181 3.941 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.389 5.574 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.097 4.759 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.892 3.128 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.548 3.951 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.853 5.533 7.253 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.320 3.534 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.247 5.270 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.990 5.134 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.559 3.366 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.294 4.061 7.560 1.00 0.00 H new ATOM 1388 N THR A 97 -8.665 5.165 3.063 1.00 0.00 N ATOM 1389 CA THR A 97 -8.658 6.195 2.032 1.00 0.00 C ATOM 1390 C THR A 97 -9.651 7.305 2.358 1.00 0.00 C ATOM 1391 O THR A 97 -10.612 7.095 3.097 1.00 0.00 O ATOM 1392 CB THR A 97 -8.999 5.608 0.649 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.332 5.087 0.653 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.019 4.507 0.273 1.00 0.00 C ATOM 0 H THR A 97 -8.952 4.243 2.735 1.00 0.00 H new ATOM 0 HA THR A 97 -7.650 6.608 2.005 1.00 0.00 H new ATOM 0 HB THR A 97 -8.925 6.407 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.651 4.997 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.279 4.107 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.008 4.914 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.066 3.709 1.014 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.411 8.489 1.803 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.293 9.616 2.046 1.00 0.00 C ATOM 1404 C GLY A 98 -11.637 9.458 1.363 1.00 0.00 C ATOM 1405 O GLY A 98 -11.765 8.704 0.399 1.00 0.00 O ATOM 0 H GLY A 98 -8.621 8.688 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.445 9.729 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.815 10.530 1.694 1.00 0.00 H new