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 -113:sc= 1.11 USER MOD Set 1.2: A 97 THR OG1 : rot -172:sc= 1.93 USER MOD Set 2.1: A 32 ASN : amide:sc= -2.51! C(o=-2.1!,f=-3.7!) USER MOD Set 2.2: A 39 TYR OH : rot -123:sc= 0.43 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=-0.00777 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -14:sc= 0.842 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.0283 USER MOD Single : A 27 THR OG1 : rot -37:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -6.36! C(o=-6.4!,f=-19!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 114:sc= 0.209 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00119 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -5.06! C(o=-5.1!,f=-24!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 134:sc= 0.79 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 17.197 -15.008 2.692 1.00 0.00 N ATOM 60 CA GLY A 7 16.935 -13.892 1.802 1.00 0.00 C ATOM 61 C GLY A 7 17.099 -12.551 2.490 1.00 0.00 C ATOM 62 O GLY A 7 17.643 -12.456 3.590 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.612 -13.945 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.921 -13.974 1.410 1.00 0.00 H new ATOM 66 N PRO A 8 16.621 -11.483 1.834 1.00 0.00 N ATOM 67 CA PRO A 8 16.707 -10.121 2.370 1.00 0.00 C ATOM 68 C PRO A 8 15.793 -9.914 3.573 1.00 0.00 C ATOM 69 O PRO A 8 15.011 -10.794 3.931 1.00 0.00 O ATOM 70 CB PRO A 8 16.253 -9.249 1.197 1.00 0.00 C ATOM 71 CG PRO A 8 15.387 -10.139 0.376 1.00 0.00 C ATOM 72 CD PRO A 8 15.961 -11.522 0.519 1.00 0.00 C ATOM 0 HA PRO A 8 17.709 -9.887 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.704 -8.373 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.104 -8.885 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.354 -10.107 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.382 -9.824 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.184 -12.285 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.668 -11.748 -0.279 1.00 0.00 H new ATOM 80 N LYS A 9 15.897 -8.743 4.194 1.00 0.00 N ATOM 81 CA LYS A 9 15.079 -8.418 5.357 1.00 0.00 C ATOM 82 C LYS A 9 13.954 -7.460 4.979 1.00 0.00 C ATOM 83 O LYS A 9 14.061 -6.682 4.031 1.00 0.00 O ATOM 84 CB LYS A 9 15.943 -7.799 6.457 1.00 0.00 C ATOM 85 CG LYS A 9 16.997 -8.744 7.008 1.00 0.00 C ATOM 86 CD LYS A 9 16.442 -9.603 8.132 1.00 0.00 C ATOM 87 CE LYS A 9 16.233 -8.793 9.401 1.00 0.00 C ATOM 88 NZ LYS A 9 15.113 -9.329 10.223 1.00 0.00 N ATOM 0 H LYS A 9 16.540 -8.003 3.911 1.00 0.00 H new ATOM 0 HA LYS A 9 14.636 -9.342 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.435 -6.910 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.298 -7.472 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.367 -9.385 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.847 -8.169 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.495 -10.044 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.127 -10.427 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.150 -8.798 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.027 -7.755 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.003 -8.749 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.232 -9.301 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.321 -10.311 10.494 1.00 0.00 H new ATOM 102 N PRO A 10 12.850 -7.514 5.739 1.00 0.00 N ATOM 103 CA PRO A 10 11.685 -6.655 5.504 1.00 0.00 C ATOM 104 C PRO A 10 11.964 -5.194 5.840 1.00 0.00 C ATOM 105 O PRO A 10 12.744 -4.878 6.739 1.00 0.00 O ATOM 106 CB PRO A 10 10.625 -7.229 6.448 1.00 0.00 C ATOM 107 CG PRO A 10 11.403 -7.889 7.534 1.00 0.00 C ATOM 108 CD PRO A 10 12.653 -8.416 6.885 1.00 0.00 C ATOM 0 HA PRO A 10 11.385 -6.652 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.980 -6.444 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.981 -7.942 5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.644 -7.181 8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.830 -8.696 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.502 -8.389 7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.534 -9.451 6.565 1.00 0.00 H new ATOM 116 N PRO A 11 11.312 -4.282 5.105 1.00 0.00 N ATOM 117 CA PRO A 11 11.473 -2.839 5.308 1.00 0.00 C ATOM 118 C PRO A 11 10.856 -2.366 6.620 1.00 0.00 C ATOM 119 O PRO A 11 9.886 -2.948 7.106 1.00 0.00 O ATOM 120 CB PRO A 11 10.731 -2.228 4.117 1.00 0.00 C ATOM 121 CG PRO A 11 9.729 -3.258 3.726 1.00 0.00 C ATOM 122 CD PRO A 11 10.367 -4.588 4.018 1.00 0.00 C ATOM 0 HA PRO A 11 12.522 -2.550 5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.248 -1.290 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.413 -2.008 3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.804 -3.137 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.472 -3.172 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.629 -5.329 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.878 -4.989 3.143 1.00 0.00 H new ATOM 130 N ILE A 12 11.424 -1.308 7.188 1.00 0.00 N ATOM 131 CA ILE A 12 10.927 -0.756 8.443 1.00 0.00 C ATOM 132 C ILE A 12 10.391 0.658 8.248 1.00 0.00 C ATOM 133 O ILE A 12 10.480 1.221 7.157 1.00 0.00 O ATOM 134 CB ILE A 12 12.026 -0.733 9.521 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.164 0.201 9.101 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.553 -2.138 9.772 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.167 0.464 10.202 1.00 0.00 C ATOM 0 H ILE A 12 12.228 -0.816 6.800 1.00 0.00 H new ATOM 0 HA ILE A 12 10.117 -1.405 8.775 1.00 0.00 H new ATOM 0 HB ILE A 12 11.595 -0.357 10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.681 -0.232 8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.741 1.150 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.329 -2.104 10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.738 -2.777 10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.970 -2.540 8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.945 1.133 9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.663 0.926 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.618 -0.477 10.516 1.00 0.00 H new ATOM 149 N ASP A 13 9.838 1.227 9.313 1.00 0.00 N ATOM 150 CA ASP A 13 9.290 2.577 9.261 1.00 0.00 C ATOM 151 C ASP A 13 8.134 2.657 8.268 1.00 0.00 C ATOM 152 O ASP A 13 7.992 3.642 7.542 1.00 0.00 O ATOM 153 CB ASP A 13 10.380 3.578 8.875 1.00 0.00 C ATOM 154 CG ASP A 13 11.198 4.031 10.068 1.00 0.00 C ATOM 155 OD1 ASP A 13 11.616 3.165 10.865 1.00 0.00 O ATOM 156 OD2 ASP A 13 11.421 5.252 10.205 1.00 0.00 O ATOM 0 H ASP A 13 9.757 0.774 10.223 1.00 0.00 H new ATOM 0 HA ASP A 13 8.912 2.827 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.041 3.124 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.921 4.446 8.402 1.00 0.00 H new ATOM 161 N LEU A 14 7.312 1.614 8.239 1.00 0.00 N ATOM 162 CA LEU A 14 6.169 1.564 7.334 1.00 0.00 C ATOM 163 C LEU A 14 5.056 2.491 7.812 1.00 0.00 C ATOM 164 O LEU A 14 4.277 2.137 8.698 1.00 0.00 O ATOM 165 CB LEU A 14 5.644 0.132 7.222 1.00 0.00 C ATOM 166 CG LEU A 14 4.931 -0.221 5.917 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.876 -0.070 4.735 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.373 -1.635 5.979 1.00 0.00 C ATOM 0 H LEU A 14 7.416 0.791 8.832 1.00 0.00 H new ATOM 0 HA LEU A 14 6.500 1.900 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.483 -0.552 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.956 -0.047 8.048 1.00 0.00 H new ATOM 0 HG LEU A 14 4.099 0.470 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.351 -0.326 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.227 0.961 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.729 -0.737 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.869 -1.869 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.188 -2.341 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.662 -1.710 6.802 1.00 0.00 H new ATOM 180 N VAL A 15 4.986 3.679 7.219 1.00 0.00 N ATOM 181 CA VAL A 15 3.966 4.655 7.582 1.00 0.00 C ATOM 182 C VAL A 15 3.510 5.452 6.365 1.00 0.00 C ATOM 183 O VAL A 15 4.276 5.659 5.423 1.00 0.00 O ATOM 184 CB VAL A 15 4.480 5.631 8.657 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.320 6.372 9.304 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.298 4.888 9.703 1.00 0.00 C ATOM 0 H VAL A 15 5.624 3.988 6.485 1.00 0.00 H new ATOM 0 HA VAL A 15 3.121 4.095 7.984 1.00 0.00 H new ATOM 0 HB VAL A 15 5.127 6.366 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.703 7.057 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.779 6.936 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.646 5.655 9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.653 5.593 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.676 4.131 10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.151 4.408 9.224 1.00 0.00 H new ATOM 196 N VAL A 16 2.258 5.897 6.390 1.00 0.00 N ATOM 197 CA VAL A 16 1.700 6.673 5.289 1.00 0.00 C ATOM 198 C VAL A 16 1.608 8.152 5.650 1.00 0.00 C ATOM 199 O VAL A 16 1.171 8.510 6.744 1.00 0.00 O ATOM 200 CB VAL A 16 0.301 6.164 4.896 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.498 5.787 6.135 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.436 7.212 4.076 1.00 0.00 C ATOM 0 H VAL A 16 1.611 5.733 7.161 1.00 0.00 H new ATOM 0 HA VAL A 16 2.374 6.550 4.442 1.00 0.00 H new ATOM 0 HB VAL A 16 0.418 5.271 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.484 5.430 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.024 5.000 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.608 6.661 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.423 6.836 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.543 8.124 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.129 7.428 3.170 1.00 0.00 H new ATOM 212 N THR A 17 2.023 9.009 4.722 1.00 0.00 N ATOM 213 CA THR A 17 1.989 10.449 4.942 1.00 0.00 C ATOM 214 C THR A 17 0.754 11.074 4.302 1.00 0.00 C ATOM 215 O THR A 17 0.083 11.906 4.911 1.00 0.00 O ATOM 216 CB THR A 17 3.248 11.134 4.378 1.00 0.00 C ATOM 217 OG1 THR A 17 3.259 12.518 4.745 1.00 0.00 O ATOM 218 CG2 THR A 17 3.301 11.005 2.863 1.00 0.00 C ATOM 0 H THR A 17 2.387 8.730 3.811 1.00 0.00 H new ATOM 0 HA THR A 17 1.953 10.603 6.020 1.00 0.00 H new ATOM 0 HB THR A 17 4.123 10.640 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.063 12.946 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.199 11.496 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.322 9.950 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.420 11.476 2.427 1.00 0.00 H new ATOM 226 N GLU A 18 0.461 10.665 3.072 1.00 0.00 N ATOM 227 CA GLU A 18 -0.694 11.186 2.350 1.00 0.00 C ATOM 228 C GLU A 18 -1.688 10.071 2.036 1.00 0.00 C ATOM 229 O GLU A 18 -1.300 8.925 1.806 1.00 0.00 O ATOM 230 CB GLU A 18 -0.249 11.868 1.055 1.00 0.00 C ATOM 231 CG GLU A 18 0.113 13.333 1.232 1.00 0.00 C ATOM 232 CD GLU A 18 -1.090 14.249 1.118 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.876 14.317 2.086 1.00 0.00 O ATOM 234 OE2 GLU A 18 -1.245 14.898 0.063 1.00 0.00 O ATOM 0 H GLU A 18 1.006 9.975 2.555 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.188 11.920 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.612 11.336 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.048 11.786 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.580 13.473 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.852 13.614 0.481 1.00 0.00 H new ATOM 241 N THR A 19 -2.972 10.415 2.027 1.00 0.00 N ATOM 242 CA THR A 19 -4.021 9.445 1.743 1.00 0.00 C ATOM 243 C THR A 19 -5.115 10.056 0.874 1.00 0.00 C ATOM 244 O THR A 19 -5.863 10.926 1.320 1.00 0.00 O ATOM 245 CB THR A 19 -4.653 8.905 3.040 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.588 9.899 4.068 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.943 7.642 3.503 1.00 0.00 C ATOM 0 H THR A 19 -3.310 11.359 2.213 1.00 0.00 H new ATOM 0 HA THR A 19 -3.552 8.621 1.206 1.00 0.00 H new ATOM 0 HB THR A 19 -5.696 8.662 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.993 9.548 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.407 7.279 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.020 6.877 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.892 7.863 3.691 1.00 0.00 H new ATOM 255 N THR A 20 -5.203 9.595 -0.370 1.00 0.00 N ATOM 256 CA THR A 20 -6.205 10.097 -1.301 1.00 0.00 C ATOM 257 C THR A 20 -7.425 9.184 -1.341 1.00 0.00 C ATOM 258 O THR A 20 -7.370 8.039 -0.892 1.00 0.00 O ATOM 259 CB THR A 20 -5.632 10.231 -2.725 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.221 10.470 -2.664 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.312 11.365 -3.477 1.00 0.00 C ATOM 0 H THR A 20 -4.592 8.875 -0.756 1.00 0.00 H new ATOM 0 HA THR A 20 -6.503 11.082 -0.943 1.00 0.00 H new ATOM 0 HB THR A 20 -5.820 9.299 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.891 10.710 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.891 11.441 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.381 11.166 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.151 12.302 -2.945 1.00 0.00 H new ATOM 269 N ALA A 21 -8.525 9.697 -1.882 1.00 0.00 N ATOM 270 CA ALA A 21 -9.758 8.926 -1.982 1.00 0.00 C ATOM 271 C ALA A 21 -9.570 7.703 -2.874 1.00 0.00 C ATOM 272 O ALA A 21 -10.192 6.662 -2.658 1.00 0.00 O ATOM 273 CB ALA A 21 -10.885 9.800 -2.513 1.00 0.00 C ATOM 0 H ALA A 21 -8.587 10.643 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.022 8.578 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.800 9.212 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.044 10.639 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.619 10.176 -3.501 1.00 0.00 H new ATOM 279 N THR A 22 -8.709 7.835 -3.878 1.00 0.00 N ATOM 280 CA THR A 22 -8.440 6.742 -4.803 1.00 0.00 C ATOM 281 C THR A 22 -6.946 6.451 -4.892 1.00 0.00 C ATOM 282 O THR A 22 -6.472 5.882 -5.875 1.00 0.00 O ATOM 283 CB THR A 22 -8.975 7.055 -6.213 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.381 8.262 -6.706 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.489 7.199 -6.198 1.00 0.00 C ATOM 0 H THR A 22 -8.186 8.689 -4.071 1.00 0.00 H new ATOM 0 HA THR A 22 -8.955 5.864 -4.413 1.00 0.00 H new ATOM 0 HB THR A 22 -8.711 6.226 -6.870 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.725 8.453 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.843 7.420 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.939 6.269 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.771 8.011 -5.528 1.00 0.00 H new ATOM 293 N SER A 23 -6.209 6.844 -3.858 1.00 0.00 N ATOM 294 CA SER A 23 -4.768 6.628 -3.821 1.00 0.00 C ATOM 295 C SER A 23 -4.232 6.776 -2.400 1.00 0.00 C ATOM 296 O SER A 23 -4.925 7.275 -1.512 1.00 0.00 O ATOM 297 CB SER A 23 -4.059 7.615 -4.750 1.00 0.00 C ATOM 298 OG SER A 23 -4.486 7.450 -6.091 1.00 0.00 O ATOM 0 H SER A 23 -6.586 7.314 -3.035 1.00 0.00 H new ATOM 0 HA SER A 23 -4.570 5.612 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.261 8.635 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.981 7.468 -4.688 1.00 0.00 H new ATOM 0 HG SER A 23 -4.972 6.604 -6.178 1.00 0.00 H new ATOM 304 N VAL A 24 -2.995 6.339 -2.192 1.00 0.00 N ATOM 305 CA VAL A 24 -2.364 6.424 -0.880 1.00 0.00 C ATOM 306 C VAL A 24 -0.847 6.512 -1.003 1.00 0.00 C ATOM 307 O VAL A 24 -0.250 5.917 -1.901 1.00 0.00 O ATOM 308 CB VAL A 24 -2.728 5.210 -0.004 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.352 5.467 1.448 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.208 4.886 -0.130 1.00 0.00 C ATOM 0 H VAL A 24 -2.409 5.922 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.739 7.331 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.160 4.348 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.617 4.599 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.279 5.646 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.891 6.341 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.447 4.026 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.797 5.744 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.443 4.655 -1.169 1.00 0.00 H new ATOM 320 N THR A 25 -0.227 7.258 -0.094 1.00 0.00 N ATOM 321 CA THR A 25 1.220 7.425 -0.101 1.00 0.00 C ATOM 322 C THR A 25 1.862 6.706 1.080 1.00 0.00 C ATOM 323 O THR A 25 1.676 7.096 2.233 1.00 0.00 O ATOM 324 CB THR A 25 1.614 8.914 -0.057 1.00 0.00 C ATOM 325 OG1 THR A 25 1.005 9.614 -1.146 1.00 0.00 O ATOM 326 CG2 THR A 25 3.125 9.076 -0.124 1.00 0.00 C ATOM 0 H THR A 25 -0.705 7.756 0.657 1.00 0.00 H new ATOM 0 HA THR A 25 1.584 6.988 -1.031 1.00 0.00 H new ATOM 0 HB THR A 25 1.261 9.333 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.381 10.517 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.379 10.135 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.583 8.567 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.497 8.642 -1.052 1.00 0.00 H new ATOM 334 N LEU A 26 2.620 5.655 0.786 1.00 0.00 N ATOM 335 CA LEU A 26 3.291 4.881 1.824 1.00 0.00 C ATOM 336 C LEU A 26 4.798 5.114 1.788 1.00 0.00 C ATOM 337 O LEU A 26 5.393 5.242 0.718 1.00 0.00 O ATOM 338 CB LEU A 26 2.990 3.391 1.652 1.00 0.00 C ATOM 339 CG LEU A 26 3.173 2.521 2.896 1.00 0.00 C ATOM 340 CD1 LEU A 26 1.993 2.684 3.841 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.348 1.061 2.505 1.00 0.00 C ATOM 0 H LEU A 26 2.785 5.320 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 26 2.913 5.212 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.961 3.286 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.632 3.000 0.862 1.00 0.00 H new ATOM 0 HG LEU A 26 4.074 2.848 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.142 2.057 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.914 3.727 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.076 2.385 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.477 0.457 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.466 0.721 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.227 0.958 1.869 1.00 0.00 H new ATOM 353 N THR A 27 5.412 5.166 2.967 1.00 0.00 N ATOM 354 CA THR A 27 6.849 5.382 3.071 1.00 0.00 C ATOM 355 C THR A 27 7.498 4.339 3.974 1.00 0.00 C ATOM 356 O THR A 27 6.831 3.725 4.806 1.00 0.00 O ATOM 357 CB THR A 27 7.168 6.787 3.617 1.00 0.00 C ATOM 358 OG1 THR A 27 6.603 6.944 4.924 1.00 0.00 O ATOM 359 CG2 THR A 27 6.623 7.864 2.691 1.00 0.00 C ATOM 0 H THR A 27 4.935 5.061 3.863 1.00 0.00 H new ATOM 0 HA THR A 27 7.256 5.291 2.064 1.00 0.00 H new ATOM 0 HB THR A 27 8.251 6.894 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.736 6.489 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.860 8.847 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.076 7.760 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.541 7.758 2.606 1.00 0.00 H new ATOM 367 N TRP A 28 8.801 4.145 3.804 1.00 0.00 N ATOM 368 CA TRP A 28 9.540 3.176 4.605 1.00 0.00 C ATOM 369 C TRP A 28 11.040 3.296 4.358 1.00 0.00 C ATOM 370 O TRP A 28 11.475 4.041 3.479 1.00 0.00 O ATOM 371 CB TRP A 28 9.070 1.756 4.286 1.00 0.00 C ATOM 372 CG TRP A 28 9.415 1.314 2.896 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.574 0.717 2.489 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.594 1.437 1.729 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.523 0.461 1.140 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.318 0.893 0.651 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.317 1.953 1.491 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.807 0.852 -0.644 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.811 1.911 0.206 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.554 1.363 -0.848 1.00 0.00 C ATOM 0 H TRP A 28 9.367 4.646 3.119 1.00 0.00 H new ATOM 0 HA TRP A 28 9.346 3.388 5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.516 1.064 5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.990 1.700 4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.408 0.481 3.133 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.262 0.021 0.592 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.736 2.377 2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.379 0.432 -1.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.826 2.307 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.130 1.344 -1.841 1.00 0.00 H new ATOM 391 N ASP A 29 11.824 2.560 5.137 1.00 0.00 N ATOM 392 CA ASP A 29 13.276 2.583 5.001 1.00 0.00 C ATOM 393 C ASP A 29 13.791 1.260 4.445 1.00 0.00 C ATOM 394 O ASP A 29 13.152 0.219 4.600 1.00 0.00 O ATOM 395 CB ASP A 29 13.931 2.873 6.352 1.00 0.00 C ATOM 396 CG ASP A 29 15.352 3.381 6.209 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.527 4.563 5.846 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.290 2.596 6.462 1.00 0.00 O ATOM 0 H ASP A 29 11.479 1.940 5.870 1.00 0.00 H new ATOM 0 HA ASP A 29 13.538 3.376 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.337 3.612 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.932 1.965 6.955 1.00 0.00 H new ATOM 403 N SER A 30 14.950 1.307 3.796 1.00 0.00 N ATOM 404 CA SER A 30 15.549 0.112 3.213 1.00 0.00 C ATOM 405 C SER A 30 15.528 -1.046 4.205 1.00 0.00 C ATOM 406 O SER A 30 15.138 -2.162 3.866 1.00 0.00 O ATOM 407 CB SER A 30 16.987 0.398 2.776 1.00 0.00 C ATOM 408 OG SER A 30 17.763 0.877 3.860 1.00 0.00 O ATOM 0 H SER A 30 15.493 2.160 3.661 1.00 0.00 H new ATOM 0 HA SER A 30 14.961 -0.170 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.437 -0.511 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.987 1.134 1.972 1.00 0.00 H new ATOM 0 HG SER A 30 18.678 1.051 3.556 1.00 0.00 H new ATOM 414 N GLY A 31 15.950 -0.771 5.436 1.00 0.00 N ATOM 415 CA GLY A 31 15.973 -1.799 6.460 1.00 0.00 C ATOM 416 C GLY A 31 17.175 -2.714 6.337 1.00 0.00 C ATOM 417 O GLY A 31 17.888 -2.948 7.312 1.00 0.00 O ATOM 0 H GLY A 31 16.276 0.146 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.978 -1.328 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.061 -2.392 6.395 1.00 0.00 H new ATOM 421 N ASN A 32 17.400 -3.234 5.135 1.00 0.00 N ATOM 422 CA ASN A 32 18.524 -4.131 4.889 1.00 0.00 C ATOM 423 C ASN A 32 19.734 -3.358 4.374 1.00 0.00 C ATOM 424 O ASN A 32 19.605 -2.472 3.530 1.00 0.00 O ATOM 425 CB ASN A 32 18.129 -5.212 3.880 1.00 0.00 C ATOM 426 CG ASN A 32 17.092 -4.724 2.886 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.419 -4.040 1.917 1.00 0.00 O ATOM 428 ND2 ASN A 32 15.834 -5.076 3.123 1.00 0.00 N ATOM 0 H ASN A 32 16.820 -3.050 4.317 1.00 0.00 H new ATOM 0 HA ASN A 32 18.792 -4.605 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.017 -5.544 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.737 -6.078 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.093 -4.778 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.609 -5.644 3.939 1.00 0.00 H new ATOM 475 N VAL A 36 19.699 -4.585 -2.446 1.00 0.00 N ATOM 476 CA VAL A 36 18.580 -5.363 -2.964 1.00 0.00 C ATOM 477 C VAL A 36 18.184 -4.894 -4.360 1.00 0.00 C ATOM 478 O VAL A 36 18.481 -3.767 -4.756 1.00 0.00 O ATOM 479 CB VAL A 36 17.354 -5.268 -2.036 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.486 -6.510 -2.169 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.793 -5.066 -0.593 1.00 0.00 C ATOM 0 HA VAL A 36 18.911 -6.400 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 36 16.759 -4.405 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.625 -6.425 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.143 -6.605 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.067 -7.391 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.914 -5.001 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.410 -5.908 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.369 -4.144 -0.514 1.00 0.00 H new ATOM 491 N THR A 37 17.511 -5.768 -5.102 1.00 0.00 N ATOM 492 CA THR A 37 17.074 -5.444 -6.455 1.00 0.00 C ATOM 493 C THR A 37 15.910 -4.460 -6.436 1.00 0.00 C ATOM 494 O THR A 37 16.058 -3.302 -6.828 1.00 0.00 O ATOM 495 CB THR A 37 16.651 -6.709 -7.225 1.00 0.00 C ATOM 496 OG1 THR A 37 17.686 -7.695 -7.156 1.00 0.00 O ATOM 497 CG2 THR A 37 16.353 -6.381 -8.681 1.00 0.00 C ATOM 0 H THR A 37 17.257 -6.705 -4.789 1.00 0.00 H new ATOM 0 HA THR A 37 17.924 -4.986 -6.962 1.00 0.00 H new ATOM 0 HB THR A 37 15.745 -7.102 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.408 -8.496 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.056 -7.289 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.544 -5.652 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.245 -5.966 -9.150 1.00 0.00 H new ATOM 505 N TYR A 38 14.754 -4.927 -5.979 1.00 0.00 N ATOM 506 CA TYR A 38 13.564 -4.088 -5.911 1.00 0.00 C ATOM 507 C TYR A 38 12.717 -4.440 -4.692 1.00 0.00 C ATOM 508 O TYR A 38 13.047 -5.355 -3.936 1.00 0.00 O ATOM 509 CB TYR A 38 12.732 -4.242 -7.185 1.00 0.00 C ATOM 510 CG TYR A 38 11.973 -5.548 -7.258 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.603 -6.719 -7.661 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.626 -5.611 -6.923 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.914 -7.914 -7.730 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.929 -6.802 -6.988 1.00 0.00 C ATOM 515 CZ TYR A 38 10.577 -7.951 -7.392 1.00 0.00 C ATOM 516 OH TYR A 38 9.887 -9.139 -7.459 1.00 0.00 O ATOM 0 H TYR A 38 14.616 -5.883 -5.650 1.00 0.00 H new ATOM 0 HA TYR A 38 13.887 -3.051 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.024 -3.416 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.390 -4.165 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.650 -6.694 -7.925 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.115 -4.714 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.419 -8.815 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.882 -6.833 -6.724 1.00 0.00 H new ATOM 0 HH TYR A 38 8.957 -8.993 -7.187 1.00 0.00 H new ATOM 526 N TYR A 39 11.625 -3.708 -4.507 1.00 0.00 N ATOM 527 CA TYR A 39 10.730 -3.941 -3.379 1.00 0.00 C ATOM 528 C TYR A 39 9.288 -4.097 -3.851 1.00 0.00 C ATOM 529 O TYR A 39 8.729 -3.202 -4.484 1.00 0.00 O ATOM 530 CB TYR A 39 10.829 -2.790 -2.376 1.00 0.00 C ATOM 531 CG TYR A 39 12.125 -2.776 -1.597 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.345 -2.617 -2.243 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.130 -2.921 -0.216 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.532 -2.604 -1.536 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.311 -2.908 0.500 1.00 0.00 C ATOM 536 CZ TYR A 39 14.509 -2.749 -0.165 1.00 0.00 C ATOM 537 OH TYR A 39 15.689 -2.737 0.545 1.00 0.00 O ATOM 0 H TYR A 39 11.337 -2.948 -5.123 1.00 0.00 H new ATOM 0 HA TYR A 39 11.035 -4.867 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.725 -1.845 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.995 -2.855 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.366 -2.502 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.194 -3.046 0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.472 -2.481 -2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.297 -3.022 1.574 1.00 0.00 H new ATOM 0 HH TYR A 39 15.766 -3.563 1.066 1.00 0.00 H new ATOM 547 N GLY A 40 8.689 -5.242 -3.536 1.00 0.00 N ATOM 548 CA GLY A 40 7.317 -5.495 -3.934 1.00 0.00 C ATOM 549 C GLY A 40 6.314 -4.958 -2.933 1.00 0.00 C ATOM 550 O GLY A 40 6.653 -4.715 -1.774 1.00 0.00 O ATOM 0 H GLY A 40 9.130 -5.998 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.134 -5.039 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.168 -6.568 -4.052 1.00 0.00 H new ATOM 554 N ILE A 41 5.077 -4.771 -3.379 1.00 0.00 N ATOM 555 CA ILE A 41 4.022 -4.259 -2.513 1.00 0.00 C ATOM 556 C ILE A 41 2.747 -5.084 -2.653 1.00 0.00 C ATOM 557 O ILE A 41 2.378 -5.491 -3.754 1.00 0.00 O ATOM 558 CB ILE A 41 3.703 -2.785 -2.826 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.982 -1.945 -2.787 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.678 -2.244 -1.841 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.764 -0.495 -3.159 1.00 0.00 C ATOM 0 H ILE A 41 4.780 -4.966 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 41 4.390 -4.334 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 41 3.281 -2.725 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.409 -1.994 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.714 -2.380 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.463 -1.201 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.761 -2.829 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.075 -2.314 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.713 0.040 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.366 -0.435 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.056 -0.043 -2.464 1.00 0.00 H new ATOM 573 N GLN A 42 2.078 -5.324 -1.530 1.00 0.00 N ATOM 574 CA GLN A 42 0.843 -6.099 -1.528 1.00 0.00 C ATOM 575 C GLN A 42 -0.239 -5.397 -0.714 1.00 0.00 C ATOM 576 O GLN A 42 0.031 -4.855 0.358 1.00 0.00 O ATOM 577 CB GLN A 42 1.095 -7.498 -0.965 1.00 0.00 C ATOM 578 CG GLN A 42 1.888 -8.397 -1.900 1.00 0.00 C ATOM 579 CD GLN A 42 3.386 -8.260 -1.709 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.899 -7.161 -1.498 1.00 0.00 O ATOM 581 NE2 GLN A 42 4.097 -9.379 -1.783 1.00 0.00 N ATOM 0 H GLN A 42 2.370 -4.993 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 42 0.497 -6.187 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.630 -7.409 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.137 -7.970 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.598 -9.434 -1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.633 -8.156 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.631 -10.269 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.109 -9.349 -1.663 1.00 0.00 H new ATOM 590 N TYR A 43 -1.463 -5.411 -1.229 1.00 0.00 N ATOM 591 CA TYR A 43 -2.585 -4.774 -0.551 1.00 0.00 C ATOM 592 C TYR A 43 -3.914 -5.309 -1.076 1.00 0.00 C ATOM 593 O TYR A 43 -3.992 -5.824 -2.191 1.00 0.00 O ATOM 594 CB TYR A 43 -2.525 -3.257 -0.736 1.00 0.00 C ATOM 595 CG TYR A 43 -2.444 -2.826 -2.183 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.318 -3.103 -2.948 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.492 -2.141 -2.784 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.239 -2.711 -4.271 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.423 -1.746 -4.106 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.294 -2.033 -4.845 1.00 0.00 C ATOM 601 OH TYR A 43 -2.220 -1.640 -6.162 1.00 0.00 O ATOM 0 H TYR A 43 -1.703 -5.857 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.514 -5.007 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.408 -2.809 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.659 -2.868 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.490 -3.634 -2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.377 -1.913 -2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.356 -2.934 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.248 -1.216 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.046 -1.175 -6.412 1.00 0.00 H new ATOM 611 N ARG A 44 -4.958 -5.182 -0.263 1.00 0.00 N ATOM 612 CA ARG A 44 -6.284 -5.653 -0.643 1.00 0.00 C ATOM 613 C ARG A 44 -7.336 -5.183 0.357 1.00 0.00 C ATOM 614 O ARG A 44 -7.034 -4.950 1.527 1.00 0.00 O ATOM 615 CB ARG A 44 -6.300 -7.180 -0.736 1.00 0.00 C ATOM 616 CG ARG A 44 -7.686 -7.785 -0.586 1.00 0.00 C ATOM 617 CD ARG A 44 -7.776 -9.145 -1.262 1.00 0.00 C ATOM 618 NE ARG A 44 -7.523 -9.061 -2.698 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.945 -9.966 -3.573 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.638 -11.019 -3.160 1.00 0.00 N ATOM 621 NH2 ARG A 44 -7.676 -9.820 -4.864 1.00 0.00 N ATOM 0 H ARG A 44 -4.911 -4.757 0.663 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.524 -5.234 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.883 -7.481 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.649 -7.589 0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.927 -7.887 0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.427 -7.113 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.056 -9.825 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.766 -9.569 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.993 -8.263 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.848 -11.135 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.961 -11.713 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.144 -9.011 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.001 -10.516 -5.535 1.00 0.00 H new ATOM 635 N ALA A 45 -8.572 -5.045 -0.112 1.00 0.00 N ATOM 636 CA ALA A 45 -9.668 -4.605 0.742 1.00 0.00 C ATOM 637 C ALA A 45 -9.555 -5.209 2.137 1.00 0.00 C ATOM 638 O ALA A 45 -9.712 -6.417 2.316 1.00 0.00 O ATOM 639 CB ALA A 45 -11.005 -4.969 0.114 1.00 0.00 C ATOM 0 H ALA A 45 -8.839 -5.232 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.607 -3.521 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.815 -4.634 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.095 -4.484 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.065 -6.050 -0.013 1.00 0.00 H new ATOM 732 N GLN A 53 -3.079 -7.953 -3.634 1.00 0.00 N ATOM 733 CA GLN A 53 -2.487 -7.426 -4.859 1.00 0.00 C ATOM 734 C GLN A 53 -0.971 -7.591 -4.846 1.00 0.00 C ATOM 735 O GLN A 53 -0.369 -7.792 -3.792 1.00 0.00 O ATOM 736 CB GLN A 53 -2.851 -5.951 -5.032 1.00 0.00 C ATOM 737 CG GLN A 53 -4.334 -5.713 -5.268 1.00 0.00 C ATOM 738 CD GLN A 53 -4.601 -4.477 -6.105 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.085 -3.464 -5.599 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.285 -4.553 -7.392 1.00 0.00 N ATOM 0 HA GLN A 53 -2.888 -7.992 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.541 -5.402 -4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.288 -5.543 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.763 -6.583 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.839 -5.613 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.886 -5.413 -7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.441 -3.752 -8.004 1.00 0.00 H new ATOM 749 N GLU A 54 -0.361 -7.503 -6.023 1.00 0.00 N ATOM 750 CA GLU A 54 1.085 -7.644 -6.146 1.00 0.00 C ATOM 751 C GLU A 54 1.653 -6.603 -7.106 1.00 0.00 C ATOM 752 O GLU A 54 1.192 -6.470 -8.240 1.00 0.00 O ATOM 753 CB GLU A 54 1.444 -9.050 -6.631 1.00 0.00 C ATOM 754 CG GLU A 54 2.889 -9.436 -6.362 1.00 0.00 C ATOM 755 CD GLU A 54 3.159 -10.905 -6.626 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.523 -11.753 -5.966 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.006 -11.205 -7.493 1.00 0.00 O ATOM 0 H GLU A 54 -0.845 -7.335 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 54 1.525 -7.484 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.787 -9.772 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.252 -9.116 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.545 -8.832 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.136 -9.205 -5.326 1.00 0.00 H new ATOM 764 N VAL A 55 2.658 -5.865 -6.644 1.00 0.00 N ATOM 765 CA VAL A 55 3.290 -4.836 -7.460 1.00 0.00 C ATOM 766 C VAL A 55 4.810 -4.949 -7.407 1.00 0.00 C ATOM 767 O VAL A 55 5.409 -4.899 -6.333 1.00 0.00 O ATOM 768 CB VAL A 55 2.875 -3.424 -7.005 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.552 -2.366 -7.862 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.362 -3.273 -7.053 1.00 0.00 C ATOM 0 H VAL A 55 3.052 -5.961 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 55 2.952 -4.993 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 55 3.199 -3.283 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.247 -1.375 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.634 -2.462 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.261 -2.501 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.086 -2.270 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.013 -3.433 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.902 -4.008 -6.392 1.00 0.00 H new ATOM 780 N ASP A 56 5.427 -5.100 -8.573 1.00 0.00 N ATOM 781 CA ASP A 56 6.878 -5.219 -8.660 1.00 0.00 C ATOM 782 C ASP A 56 7.460 -4.124 -9.549 1.00 0.00 C ATOM 783 O ASP A 56 6.874 -3.759 -10.567 1.00 0.00 O ATOM 784 CB ASP A 56 7.267 -6.594 -9.204 1.00 0.00 C ATOM 785 CG ASP A 56 7.117 -6.685 -10.710 1.00 0.00 C ATOM 786 OD1 ASP A 56 8.054 -6.274 -11.426 1.00 0.00 O ATOM 787 OD2 ASP A 56 6.061 -7.167 -11.174 1.00 0.00 O ATOM 0 H ASP A 56 4.946 -5.143 -9.471 1.00 0.00 H new ATOM 0 HA ASP A 56 7.288 -5.105 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.300 -6.810 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.646 -7.356 -8.733 1.00 0.00 H new ATOM 792 N GLY A 57 8.618 -3.602 -9.154 1.00 0.00 N ATOM 793 CA GLY A 57 9.259 -2.553 -9.925 1.00 0.00 C ATOM 794 C GLY A 57 9.386 -1.258 -9.148 1.00 0.00 C ATOM 795 O GLY A 57 9.211 -0.172 -9.702 1.00 0.00 O ATOM 0 H GLY A 57 9.123 -3.887 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.250 -2.887 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.686 -2.373 -10.834 1.00 0.00 H new ATOM 799 N VAL A 58 9.691 -1.370 -7.859 1.00 0.00 N ATOM 800 CA VAL A 58 9.840 -0.199 -7.003 1.00 0.00 C ATOM 801 C VAL A 58 11.259 -0.096 -6.456 1.00 0.00 C ATOM 802 O VAL A 58 11.558 -0.607 -5.377 1.00 0.00 O ATOM 803 CB VAL A 58 8.849 -0.234 -5.825 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.867 1.087 -5.072 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.446 -0.556 -6.319 1.00 0.00 C ATOM 0 H VAL A 58 9.840 -2.261 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 58 9.627 0.673 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 58 9.157 -1.021 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.160 1.043 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.869 1.272 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.584 1.895 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.758 -0.577 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.126 0.207 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.447 -1.529 -6.809 1.00 0.00 H new ATOM 815 N ALA A 59 12.131 0.569 -7.207 1.00 0.00 N ATOM 816 CA ALA A 59 13.518 0.742 -6.797 1.00 0.00 C ATOM 817 C ALA A 59 13.673 1.951 -5.880 1.00 0.00 C ATOM 818 O ALA A 59 14.759 2.520 -5.763 1.00 0.00 O ATOM 819 CB ALA A 59 14.416 0.883 -8.017 1.00 0.00 C ATOM 0 H ALA A 59 11.900 0.997 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 59 13.819 -0.145 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.449 1.012 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.337 -0.013 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.106 1.751 -8.598 1.00 0.00 H new ATOM 825 N THR A 60 12.580 2.340 -5.232 1.00 0.00 N ATOM 826 CA THR A 60 12.594 3.483 -4.327 1.00 0.00 C ATOM 827 C THR A 60 12.007 3.116 -2.969 1.00 0.00 C ATOM 828 O THR A 60 11.356 2.081 -2.820 1.00 0.00 O ATOM 829 CB THR A 60 11.806 4.670 -4.910 1.00 0.00 C ATOM 830 OG1 THR A 60 10.577 4.209 -5.484 1.00 0.00 O ATOM 831 CG2 THR A 60 12.624 5.396 -5.968 1.00 0.00 C ATOM 0 H THR A 60 11.673 1.880 -5.317 1.00 0.00 H new ATOM 0 HA THR A 60 13.637 3.775 -4.202 1.00 0.00 H new ATOM 0 HB THR A 60 11.589 5.366 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.822 4.556 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.046 6.231 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.545 5.772 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.868 4.706 -6.776 1.00 0.00 H new ATOM 839 N THR A 61 12.241 3.971 -1.978 1.00 0.00 N ATOM 840 CA THR A 61 11.736 3.737 -0.631 1.00 0.00 C ATOM 841 C THR A 61 10.314 4.265 -0.477 1.00 0.00 C ATOM 842 O THR A 61 9.590 3.869 0.435 1.00 0.00 O ATOM 843 CB THR A 61 12.635 4.399 0.429 1.00 0.00 C ATOM 844 OG1 THR A 61 12.815 5.786 0.122 1.00 0.00 O ATOM 845 CG2 THR A 61 13.990 3.710 0.497 1.00 0.00 C ATOM 0 H THR A 61 12.777 4.832 -2.083 1.00 0.00 H new ATOM 0 HA THR A 61 11.739 2.658 -0.476 1.00 0.00 H new ATOM 0 HB THR A 61 12.147 4.302 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.387 6.200 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.607 4.195 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.852 2.661 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.482 3.779 -0.473 1.00 0.00 H new ATOM 853 N ARG A 62 9.921 5.162 -1.376 1.00 0.00 N ATOM 854 CA ARG A 62 8.585 5.745 -1.339 1.00 0.00 C ATOM 855 C ARG A 62 7.770 5.315 -2.555 1.00 0.00 C ATOM 856 O ARG A 62 8.272 5.304 -3.679 1.00 0.00 O ATOM 857 CB ARG A 62 8.673 7.272 -1.286 1.00 0.00 C ATOM 858 CG ARG A 62 7.436 7.933 -0.701 1.00 0.00 C ATOM 859 CD ARG A 62 7.738 9.338 -0.202 1.00 0.00 C ATOM 860 NE ARG A 62 8.855 9.356 0.738 1.00 0.00 N ATOM 861 CZ ARG A 62 9.312 10.462 1.315 1.00 0.00 C ATOM 862 NH1 ARG A 62 8.750 11.633 1.050 1.00 0.00 N ATOM 863 NH2 ARG A 62 10.333 10.397 2.160 1.00 0.00 N ATOM 0 H ARG A 62 10.508 5.500 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 62 8.084 5.385 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.542 7.557 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.836 7.653 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.652 7.975 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.053 7.328 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.968 9.983 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.852 9.750 0.280 1.00 0.00 H new ATOM 0 HE ARG A 62 9.309 8.471 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.964 11.687 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.103 12.480 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.767 9.498 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.683 11.246 2.603 1.00 0.00 H new ATOM 877 N TYR A 63 6.512 4.959 -2.321 1.00 0.00 N ATOM 878 CA TYR A 63 5.628 4.524 -3.397 1.00 0.00 C ATOM 879 C TYR A 63 4.172 4.834 -3.064 1.00 0.00 C ATOM 880 O TYR A 63 3.753 4.735 -1.911 1.00 0.00 O ATOM 881 CB TYR A 63 5.798 3.025 -3.650 1.00 0.00 C ATOM 882 CG TYR A 63 4.950 2.504 -4.788 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.642 2.087 -4.573 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.457 2.429 -6.080 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.865 1.609 -5.610 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.686 1.954 -7.123 1.00 0.00 C ATOM 887 CZ TYR A 63 3.391 1.545 -6.883 1.00 0.00 C ATOM 888 OH TYR A 63 2.619 1.071 -7.919 1.00 0.00 O ATOM 0 H TYR A 63 6.081 4.963 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 63 5.899 5.071 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.846 2.818 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.545 2.480 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.226 2.138 -3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.471 2.748 -6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.851 1.287 -5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.095 1.903 -8.121 1.00 0.00 H new ATOM 0 HH TYR A 63 3.138 1.092 -8.750 1.00 0.00 H new ATOM 898 N SER A 64 3.405 5.208 -4.083 1.00 0.00 N ATOM 899 CA SER A 64 1.996 5.536 -3.900 1.00 0.00 C ATOM 900 C SER A 64 1.105 4.501 -4.580 1.00 0.00 C ATOM 901 O SER A 64 1.328 4.139 -5.736 1.00 0.00 O ATOM 902 CB SER A 64 1.698 6.929 -4.458 1.00 0.00 C ATOM 903 OG SER A 64 1.949 6.984 -5.851 1.00 0.00 O ATOM 0 H SER A 64 3.736 5.291 -5.044 1.00 0.00 H new ATOM 0 HA SER A 64 1.782 5.528 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.657 7.188 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.312 7.669 -3.945 1.00 0.00 H new ATOM 0 HG SER A 64 1.749 7.884 -6.184 1.00 0.00 H new ATOM 909 N ILE A 65 0.096 4.030 -3.855 1.00 0.00 N ATOM 910 CA ILE A 65 -0.829 3.038 -4.388 1.00 0.00 C ATOM 911 C ILE A 65 -2.077 3.702 -4.960 1.00 0.00 C ATOM 912 O ILE A 65 -2.610 4.648 -4.382 1.00 0.00 O ATOM 913 CB ILE A 65 -1.250 2.023 -3.309 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.026 1.274 -2.777 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.273 1.047 -3.870 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.688 2.000 -1.659 1.00 0.00 C ATOM 0 H ILE A 65 -0.102 4.319 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.303 2.512 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.709 2.564 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.338 0.292 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.673 1.109 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.561 0.336 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.154 1.595 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.839 0.509 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.545 1.411 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.031 2.971 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.004 2.142 -0.822 1.00 0.00 H new ATOM 928 N GLY A 66 -2.539 3.198 -6.101 1.00 0.00 N ATOM 929 CA GLY A 66 -3.722 3.753 -6.731 1.00 0.00 C ATOM 930 C GLY A 66 -4.696 2.683 -7.181 1.00 0.00 C ATOM 931 O GLY A 66 -4.384 1.493 -7.140 1.00 0.00 O ATOM 0 H GLY A 66 -2.115 2.416 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.221 4.423 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.424 4.353 -7.591 1.00 0.00 H new ATOM 935 N GLY A 67 -5.881 3.105 -7.611 1.00 0.00 N ATOM 936 CA GLY A 67 -6.887 2.161 -8.063 1.00 0.00 C ATOM 937 C GLY A 67 -7.736 1.631 -6.925 1.00 0.00 C ATOM 938 O GLY A 67 -8.231 0.504 -6.983 1.00 0.00 O ATOM 0 H GLY A 67 -6.163 4.084 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.531 2.644 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.398 1.327 -8.567 1.00 0.00 H new ATOM 942 N LEU A 68 -7.906 2.443 -5.888 1.00 0.00 N ATOM 943 CA LEU A 68 -8.701 2.048 -4.730 1.00 0.00 C ATOM 944 C LEU A 68 -10.027 2.802 -4.698 1.00 0.00 C ATOM 945 O LEU A 68 -10.273 3.682 -5.523 1.00 0.00 O ATOM 946 CB LEU A 68 -7.923 2.309 -3.439 1.00 0.00 C ATOM 947 CG LEU A 68 -6.504 1.742 -3.386 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.762 2.274 -2.170 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.537 0.220 -3.368 1.00 0.00 C ATOM 0 H LEU A 68 -7.504 3.379 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.911 0.982 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.869 3.386 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.490 1.894 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.972 2.064 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.754 1.860 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.706 3.361 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.293 1.983 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.518 -0.166 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.087 -0.122 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.029 -0.144 -4.270 1.00 0.00 H new ATOM 961 N SER A 69 -10.878 2.451 -3.739 1.00 0.00 N ATOM 962 CA SER A 69 -12.180 3.093 -3.600 1.00 0.00 C ATOM 963 C SER A 69 -12.154 4.142 -2.493 1.00 0.00 C ATOM 964 O SER A 69 -11.421 4.026 -1.510 1.00 0.00 O ATOM 965 CB SER A 69 -13.258 2.048 -3.303 1.00 0.00 C ATOM 966 OG SER A 69 -13.608 1.330 -4.474 1.00 0.00 O ATOM 0 H SER A 69 -10.689 1.726 -3.047 1.00 0.00 H new ATOM 0 HA SER A 69 -12.415 3.590 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.898 1.356 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.142 2.538 -2.895 1.00 0.00 H new ATOM 0 HG SER A 69 -14.297 0.667 -4.258 1.00 0.00 H new ATOM 972 N PRO A 70 -12.973 5.192 -2.654 1.00 0.00 N ATOM 973 CA PRO A 70 -13.063 6.282 -1.678 1.00 0.00 C ATOM 974 C PRO A 70 -13.723 5.842 -0.376 1.00 0.00 C ATOM 975 O PRO A 70 -14.670 5.056 -0.384 1.00 0.00 O ATOM 976 CB PRO A 70 -13.927 7.325 -2.391 1.00 0.00 C ATOM 977 CG PRO A 70 -14.742 6.542 -3.362 1.00 0.00 C ATOM 978 CD PRO A 70 -13.874 5.395 -3.800 1.00 0.00 C ATOM 0 HA PRO A 70 -12.080 6.651 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.560 7.863 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.312 8.068 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.661 6.182 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.034 7.158 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.463 4.503 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.321 5.634 -4.709 1.00 0.00 H new ATOM 986 N PHE A 71 -13.217 6.355 0.741 1.00 0.00 N ATOM 987 CA PHE A 71 -13.758 6.014 2.052 1.00 0.00 C ATOM 988 C PHE A 71 -13.721 4.505 2.280 1.00 0.00 C ATOM 989 O PHE A 71 -14.722 3.900 2.664 1.00 0.00 O ATOM 990 CB PHE A 71 -15.194 6.525 2.183 1.00 0.00 C ATOM 991 CG PHE A 71 -15.646 6.686 3.606 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.891 7.419 4.508 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.825 6.103 4.043 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.304 7.568 5.818 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.243 6.249 5.353 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.482 6.983 6.241 1.00 0.00 C ATOM 0 H PHE A 71 -12.434 7.008 0.765 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.138 6.494 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.277 7.485 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.865 5.834 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.969 7.879 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.424 5.528 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.706 8.141 6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.164 5.789 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.807 7.100 7.264 1.00 0.00 H new ATOM 1006 N SER A 72 -12.559 3.905 2.040 1.00 0.00 N ATOM 1007 CA SER A 72 -12.392 2.467 2.215 1.00 0.00 C ATOM 1008 C SER A 72 -11.118 2.160 2.997 1.00 0.00 C ATOM 1009 O SER A 72 -10.243 3.013 3.138 1.00 0.00 O ATOM 1010 CB SER A 72 -12.349 1.768 0.855 1.00 0.00 C ATOM 1011 OG SER A 72 -11.226 2.189 0.100 1.00 0.00 O ATOM 0 H SER A 72 -11.720 4.392 1.724 1.00 0.00 H new ATOM 0 HA SER A 72 -13.245 2.093 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.310 0.688 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.264 1.983 0.303 1.00 0.00 H new ATOM 0 HG SER A 72 -11.529 2.696 -0.682 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.024 0.935 3.504 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.858 0.515 4.273 1.00 0.00 C ATOM 1019 C GLU A 73 -9.062 -0.546 3.519 1.00 0.00 C ATOM 1020 O GLU A 73 -9.628 -1.502 2.988 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.288 -0.029 5.637 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.245 0.162 6.725 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.791 -0.116 8.112 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.258 -1.250 8.350 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.751 0.800 8.960 1.00 0.00 O ATOM 0 H GLU A 73 -11.740 0.217 3.396 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.220 1.386 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.212 0.464 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.510 -1.092 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.399 -0.498 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.867 1.184 6.685 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.746 -0.369 3.475 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.871 -1.308 2.783 1.00 0.00 C ATOM 1034 C TYR A 74 -5.568 -1.506 3.552 1.00 0.00 C ATOM 1035 O TYR A 74 -5.048 -0.575 4.165 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.571 -0.810 1.368 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.656 -1.138 0.368 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.733 -0.281 0.175 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.605 -2.305 -0.384 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.727 -0.577 -0.737 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.594 -2.608 -1.300 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.653 -1.741 -1.473 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.640 -2.041 -2.383 1.00 0.00 O ATOM 0 H TYR A 74 -7.262 0.416 3.910 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.385 -2.267 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.428 0.270 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.632 -1.248 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.794 0.632 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.778 -2.987 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.558 0.099 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.538 -3.519 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.436 -2.895 -2.817 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.046 -2.728 3.513 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.803 -3.050 4.203 1.00 0.00 C ATOM 1055 C ALA A 75 -2.617 -3.007 3.245 1.00 0.00 C ATOM 1056 O ALA A 75 -2.689 -3.520 2.129 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.904 -4.418 4.860 1.00 0.00 C ATOM 0 H ALA A 75 -5.465 -3.511 3.011 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.640 -2.299 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.969 -4.646 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.721 -4.416 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.094 -5.174 4.098 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.527 -2.390 3.689 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.325 -2.278 2.871 1.00 0.00 C ATOM 1065 C PHE A 76 0.843 -3.019 3.516 1.00 0.00 C ATOM 1066 O PHE A 76 0.939 -3.101 4.740 1.00 0.00 O ATOM 1067 CB PHE A 76 0.041 -0.807 2.663 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.028 -0.016 1.965 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.266 -0.192 0.611 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.795 0.903 2.662 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.249 0.534 -0.034 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.780 1.632 2.023 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.007 1.448 0.673 1.00 0.00 C ATOM 0 H PHE A 76 -1.451 -1.960 4.611 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.531 -2.734 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.245 -0.351 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.962 -0.749 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.676 -0.905 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.621 1.052 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.425 0.387 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.372 2.345 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.775 2.017 0.171 1.00 0.00 H new ATOM 1083 N ARG A 77 1.728 -3.556 2.682 1.00 0.00 N ATOM 1084 CA ARG A 77 2.889 -4.291 3.170 1.00 0.00 C ATOM 1085 C ARG A 77 3.983 -4.346 2.108 1.00 0.00 C ATOM 1086 O ARG A 77 3.790 -4.911 1.032 1.00 0.00 O ATOM 1087 CB ARG A 77 2.486 -5.709 3.578 1.00 0.00 C ATOM 1088 CG ARG A 77 1.857 -6.512 2.450 1.00 0.00 C ATOM 1089 CD ARG A 77 1.387 -7.875 2.932 1.00 0.00 C ATOM 1090 NE ARG A 77 0.083 -7.806 3.586 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.542 -8.863 4.092 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.014 -10.064 4.020 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.727 -8.719 4.672 1.00 0.00 N ATOM 0 H ARG A 77 1.663 -3.496 1.666 1.00 0.00 H new ATOM 0 HA ARG A 77 3.280 -3.767 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.367 -6.238 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.783 -5.653 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.013 -5.960 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.581 -6.639 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.332 -8.559 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.119 -8.286 3.627 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.373 -6.896 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.925 -10.179 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.469 -10.874 4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.158 -7.796 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.207 -9.531 5.060 1.00 0.00 H new ATOM 1107 N VAL A 78 5.132 -3.755 2.418 1.00 0.00 N ATOM 1108 CA VAL A 78 6.258 -3.738 1.491 1.00 0.00 C ATOM 1109 C VAL A 78 7.332 -4.734 1.912 1.00 0.00 C ATOM 1110 O VAL A 78 7.515 -5.002 3.100 1.00 0.00 O ATOM 1111 CB VAL A 78 6.885 -2.334 1.397 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.926 -2.288 0.289 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.807 -1.284 1.170 1.00 0.00 C ATOM 0 H VAL A 78 5.308 -3.281 3.304 1.00 0.00 H new ATOM 0 HA VAL A 78 5.868 -4.021 0.513 1.00 0.00 H new ATOM 0 HB VAL A 78 7.383 -2.113 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.358 -1.289 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.712 -3.013 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.454 -2.529 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.267 -0.298 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.279 -1.499 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.101 -1.302 2.000 1.00 0.00 H new ATOM 1123 N LEU A 79 8.040 -5.282 0.930 1.00 0.00 N ATOM 1124 CA LEU A 79 9.098 -6.250 1.198 1.00 0.00 C ATOM 1125 C LEU A 79 10.214 -6.136 0.165 1.00 0.00 C ATOM 1126 O LEU A 79 9.994 -5.671 -0.953 1.00 0.00 O ATOM 1127 CB LEU A 79 8.529 -7.670 1.196 1.00 0.00 C ATOM 1128 CG LEU A 79 7.694 -8.057 -0.025 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.519 -9.566 -0.094 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.341 -7.362 0.011 1.00 0.00 C ATOM 0 H LEU A 79 7.901 -5.073 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 79 9.515 -6.033 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.358 -8.372 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.913 -7.794 2.087 1.00 0.00 H new ATOM 0 HG LEU A 79 8.222 -7.731 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.922 -9.823 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.496 -10.043 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.013 -9.915 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.761 -7.650 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.805 -7.656 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.487 -6.282 0.011 1.00 0.00 H new ATOM 1142 N ALA A 80 11.412 -6.566 0.546 1.00 0.00 N ATOM 1143 CA ALA A 80 12.562 -6.517 -0.348 1.00 0.00 C ATOM 1144 C ALA A 80 12.676 -7.798 -1.167 1.00 0.00 C ATOM 1145 O ALA A 80 12.239 -8.864 -0.735 1.00 0.00 O ATOM 1146 CB ALA A 80 13.838 -6.280 0.445 1.00 0.00 C ATOM 0 H ALA A 80 11.612 -6.953 1.469 1.00 0.00 H new ATOM 0 HA ALA A 80 12.418 -5.687 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.688 -6.246 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.763 -5.333 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.978 -7.091 1.160 1.00 0.00 H new ATOM 1152 N VAL A 81 13.266 -7.686 -2.353 1.00 0.00 N ATOM 1153 CA VAL A 81 13.438 -8.836 -3.233 1.00 0.00 C ATOM 1154 C VAL A 81 14.775 -8.775 -3.962 1.00 0.00 C ATOM 1155 O VAL A 81 15.216 -7.707 -4.384 1.00 0.00 O ATOM 1156 CB VAL A 81 12.303 -8.924 -4.271 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.344 -10.260 -4.996 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.953 -8.711 -3.603 1.00 0.00 C ATOM 0 H VAL A 81 13.633 -6.811 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 81 13.412 -9.724 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 81 12.446 -8.134 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.535 -10.303 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.300 -10.367 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.227 -11.069 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.163 -8.776 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.798 -9.477 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.930 -7.727 -3.136 1.00 0.00 H new ATOM 1168 N ASN A 82 15.417 -9.930 -4.108 1.00 0.00 N ATOM 1169 CA ASN A 82 16.705 -10.008 -4.787 1.00 0.00 C ATOM 1170 C ASN A 82 16.798 -11.274 -5.634 1.00 0.00 C ATOM 1171 O ASN A 82 15.843 -12.046 -5.721 1.00 0.00 O ATOM 1172 CB ASN A 82 17.845 -9.979 -3.767 1.00 0.00 C ATOM 1173 CG ASN A 82 17.858 -11.208 -2.878 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.406 -12.281 -3.278 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.378 -11.056 -1.666 1.00 0.00 N ATOM 0 H ASN A 82 15.066 -10.824 -3.765 1.00 0.00 H new ATOM 0 HA ASN A 82 16.793 -9.144 -5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.797 -9.904 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.752 -9.087 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.415 -11.848 -1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.741 -10.148 -1.377 1.00 0.00 H new ATOM 1182 N SER A 83 17.955 -11.480 -6.255 1.00 0.00 N ATOM 1183 CA SER A 83 18.172 -12.651 -7.097 1.00 0.00 C ATOM 1184 C SER A 83 17.872 -13.935 -6.331 1.00 0.00 C ATOM 1185 O SER A 83 17.492 -14.948 -6.920 1.00 0.00 O ATOM 1186 CB SER A 83 19.612 -12.675 -7.612 1.00 0.00 C ATOM 1187 OG SER A 83 19.856 -11.596 -8.498 1.00 0.00 O ATOM 0 H SER A 83 18.756 -10.852 -6.191 1.00 0.00 H new ATOM 0 HA SER A 83 17.491 -12.588 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.303 -12.622 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.803 -13.619 -8.123 1.00 0.00 H new ATOM 0 HG SER A 83 20.784 -11.633 -8.811 1.00 0.00 H new ATOM 1193 N ILE A 84 18.046 -13.885 -5.015 1.00 0.00 N ATOM 1194 CA ILE A 84 17.793 -15.044 -4.167 1.00 0.00 C ATOM 1195 C ILE A 84 16.297 -15.294 -4.010 1.00 0.00 C ATOM 1196 O ILE A 84 15.804 -16.380 -4.313 1.00 0.00 O ATOM 1197 CB ILE A 84 18.422 -14.868 -2.772 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.847 -14.324 -2.895 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.417 -16.190 -2.019 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.800 -15.278 -3.581 1.00 0.00 C ATOM 0 H ILE A 84 18.361 -13.055 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 84 18.252 -15.902 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 84 17.827 -14.149 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.823 -13.386 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.228 -14.096 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.865 -16.050 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.391 -16.540 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.992 -16.929 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.791 -14.827 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.854 -16.208 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.443 -15.487 -4.589 1.00 0.00 H new ATOM 1212 N GLY A 85 15.579 -14.280 -3.535 1.00 0.00 N ATOM 1213 CA GLY A 85 14.146 -14.410 -3.348 1.00 0.00 C ATOM 1214 C GLY A 85 13.560 -13.262 -2.550 1.00 0.00 C ATOM 1215 O GLY A 85 14.293 -12.461 -1.972 1.00 0.00 O ATOM 0 H GLY A 85 15.964 -13.372 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.658 -14.458 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.933 -15.349 -2.838 1.00 0.00 H new ATOM 1219 N ARG A 86 12.233 -13.181 -2.520 1.00 0.00 N ATOM 1220 CA ARG A 86 11.549 -12.121 -1.790 1.00 0.00 C ATOM 1221 C ARG A 86 11.411 -12.479 -0.314 1.00 0.00 C ATOM 1222 O ARG A 86 10.848 -13.516 0.034 1.00 0.00 O ATOM 1223 CB ARG A 86 10.167 -11.866 -2.395 1.00 0.00 C ATOM 1224 CG ARG A 86 9.288 -13.105 -2.451 1.00 0.00 C ATOM 1225 CD ARG A 86 7.881 -12.770 -2.917 1.00 0.00 C ATOM 1226 NE ARG A 86 7.006 -12.412 -1.804 1.00 0.00 N ATOM 1227 CZ ARG A 86 6.600 -13.276 -0.881 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.988 -14.543 -0.938 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.804 -12.874 0.102 1.00 0.00 N ATOM 0 H ARG A 86 11.611 -13.837 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 86 12.147 -11.214 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.660 -11.098 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.289 -11.471 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.731 -13.837 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.245 -13.567 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.921 -11.944 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.462 -13.625 -3.447 1.00 0.00 H new ATOM 0 HE ARG A 86 6.689 -11.445 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.600 -14.856 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.675 -15.205 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.503 -11.900 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.493 -13.539 0.810 1.00 0.00 H new ATOM 1243 N GLY A 87 11.931 -11.613 0.551 1.00 0.00 N ATOM 1244 CA GLY A 87 11.856 -11.856 1.980 1.00 0.00 C ATOM 1245 C GLY A 87 10.449 -11.697 2.523 1.00 0.00 C ATOM 1246 O GLY A 87 9.491 -11.503 1.775 1.00 0.00 O ATOM 0 H GLY A 87 12.403 -10.748 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.212 -12.864 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.522 -11.166 2.498 1.00 0.00 H new ATOM 1250 N PRO A 88 10.311 -11.781 3.854 1.00 0.00 N ATOM 1251 CA PRO A 88 9.015 -11.649 4.526 1.00 0.00 C ATOM 1252 C PRO A 88 8.471 -10.226 4.461 1.00 0.00 C ATOM 1253 O PRO A 88 9.217 -9.256 4.324 1.00 0.00 O ATOM 1254 CB PRO A 88 9.324 -12.037 5.973 1.00 0.00 C ATOM 1255 CG PRO A 88 10.775 -11.743 6.143 1.00 0.00 C ATOM 1256 CD PRO A 88 11.411 -12.011 4.807 1.00 0.00 C ATOM 0 HA PRO A 88 8.249 -12.268 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.719 -11.463 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.110 -13.090 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.930 -10.708 6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.213 -12.373 6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.251 -11.342 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.794 -13.029 4.741 1.00 0.00 H new ATOM 1264 N PRO A 89 7.140 -10.095 4.561 1.00 0.00 N ATOM 1265 CA PRO A 89 6.467 -8.794 4.517 1.00 0.00 C ATOM 1266 C PRO A 89 6.741 -7.957 5.762 1.00 0.00 C ATOM 1267 O PRO A 89 6.978 -8.495 6.843 1.00 0.00 O ATOM 1268 CB PRO A 89 4.984 -9.164 4.437 1.00 0.00 C ATOM 1269 CG PRO A 89 4.897 -10.516 5.058 1.00 0.00 C ATOM 1270 CD PRO A 89 6.190 -11.208 4.725 1.00 0.00 C ATOM 0 HA PRO A 89 6.814 -8.184 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.366 -8.442 4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.635 -9.179 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.761 -10.442 6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.045 -11.071 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.499 -11.886 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.105 -11.802 3.815 1.00 0.00 H new ATOM 1278 N SER A 90 6.706 -6.638 5.602 1.00 0.00 N ATOM 1279 CA SER A 90 6.954 -5.727 6.713 1.00 0.00 C ATOM 1280 C SER A 90 5.703 -5.563 7.571 1.00 0.00 C ATOM 1281 O SER A 90 4.645 -6.107 7.255 1.00 0.00 O ATOM 1282 CB SER A 90 7.409 -4.363 6.190 1.00 0.00 C ATOM 1283 OG SER A 90 7.355 -3.381 7.211 1.00 0.00 O ATOM 0 H SER A 90 6.508 -6.177 4.714 1.00 0.00 H new ATOM 0 HA SER A 90 7.744 -6.154 7.331 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.427 -4.438 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.776 -4.060 5.356 1.00 0.00 H new ATOM 0 HG SER A 90 8.182 -2.856 7.204 1.00 0.00 H new ATOM 1289 N GLU A 91 5.833 -4.810 8.659 1.00 0.00 N ATOM 1290 CA GLU A 91 4.714 -4.576 9.564 1.00 0.00 C ATOM 1291 C GLU A 91 3.478 -4.121 8.793 1.00 0.00 C ATOM 1292 O GLU A 91 3.333 -2.942 8.472 1.00 0.00 O ATOM 1293 CB GLU A 91 5.089 -3.527 10.613 1.00 0.00 C ATOM 1294 CG GLU A 91 5.908 -4.085 11.765 1.00 0.00 C ATOM 1295 CD GLU A 91 6.529 -2.997 12.619 1.00 0.00 C ATOM 1296 OE1 GLU A 91 6.851 -1.923 12.069 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.694 -3.220 13.837 1.00 0.00 O ATOM 0 H GLU A 91 6.702 -4.352 8.935 1.00 0.00 H new ATOM 0 HA GLU A 91 4.483 -5.515 10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.653 -2.728 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.178 -3.080 11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.271 -4.712 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.696 -4.725 11.369 1.00 0.00 H new ATOM 1304 N ALA A 92 2.590 -5.065 8.499 1.00 0.00 N ATOM 1305 CA ALA A 92 1.366 -4.762 7.768 1.00 0.00 C ATOM 1306 C ALA A 92 0.646 -3.564 8.376 1.00 0.00 C ATOM 1307 O ALA A 92 0.323 -3.558 9.564 1.00 0.00 O ATOM 1308 CB ALA A 92 0.449 -5.977 7.748 1.00 0.00 C ATOM 0 H ALA A 92 2.696 -6.046 8.756 1.00 0.00 H new ATOM 0 HA ALA A 92 1.637 -4.508 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.461 -5.737 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.958 -6.809 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.193 -6.257 8.770 1.00 0.00 H new ATOM 1314 N VAL A 93 0.397 -2.549 7.554 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.286 -1.345 8.011 1.00 0.00 C ATOM 1316 C VAL A 93 -1.660 -1.213 7.364 1.00 0.00 C ATOM 1317 O VAL A 93 -1.934 -1.829 6.334 1.00 0.00 O ATOM 1318 CB VAL A 93 0.538 -0.081 7.701 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.830 -0.075 8.504 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.827 0.014 6.211 1.00 0.00 C ATOM 0 H VAL A 93 0.658 -2.537 6.568 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.403 -1.438 9.091 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.046 0.792 7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.399 0.825 8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.597 -0.092 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.422 -0.954 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.410 0.913 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.391 -0.863 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.113 0.060 5.660 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.521 -0.406 7.976 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.868 -0.194 7.461 1.00 0.00 C ATOM 1332 C ARG A 94 -4.189 1.295 7.376 1.00 0.00 C ATOM 1333 O ARG A 94 -4.173 2.002 8.383 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.894 -0.899 8.350 1.00 0.00 C ATOM 1335 CG ARG A 94 -4.996 -2.394 8.095 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.359 -2.936 8.497 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.729 -4.115 7.720 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.589 -5.034 8.144 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.165 -4.910 9.332 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.876 -6.080 7.379 1.00 0.00 N ATOM 0 H ARG A 94 -2.309 0.112 8.829 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.917 -0.616 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.631 -0.734 9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.872 -0.445 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.820 -2.597 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.217 -2.913 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.350 -3.189 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.112 -2.160 8.360 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.304 -4.240 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.948 -4.107 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.825 -5.617 9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.436 -6.179 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.537 -6.785 7.706 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.481 1.765 6.167 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.807 3.169 5.952 1.00 0.00 C ATOM 1356 C ALA A 95 -6.146 3.318 5.236 1.00 0.00 C ATOM 1357 O ALA A 95 -6.349 2.761 4.157 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.704 3.852 5.158 1.00 0.00 C ATOM 0 H ALA A 95 -4.498 1.194 5.322 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.889 3.650 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.961 4.900 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.765 3.785 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.594 3.361 4.191 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.056 4.071 5.844 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.376 4.291 5.266 1.00 0.00 C ATOM 1366 C ARG A 96 -8.362 5.487 4.318 1.00 0.00 C ATOM 1367 O ARG A 96 -8.025 6.604 4.714 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.410 4.514 6.371 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.831 4.172 5.954 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.812 4.376 7.098 1.00 0.00 C ATOM 1371 NE ARG A 96 -12.123 5.787 7.307 1.00 0.00 N ATOM 1372 CZ ARG A 96 -13.015 6.220 8.191 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.680 5.355 8.944 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -13.243 7.520 8.323 1.00 0.00 N ATOM 0 H ARG A 96 -6.903 4.539 6.737 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.649 3.402 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.139 3.910 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.374 5.557 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.123 4.794 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.873 3.136 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.731 3.829 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.394 3.958 8.013 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.628 6.478 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.507 4.355 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.364 5.690 9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.733 8.188 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.928 7.851 9.002 1.00 0.00 H new ATOM 1388 N THR A 97 -8.730 5.246 3.064 1.00 0.00 N ATOM 1389 CA THR A 97 -8.758 6.302 2.059 1.00 0.00 C ATOM 1390 C THR A 97 -9.791 7.367 2.409 1.00 0.00 C ATOM 1391 O THR A 97 -10.747 7.102 3.137 1.00 0.00 O ATOM 1392 CB THR A 97 -9.072 5.739 0.660 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.437 5.312 0.599 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.155 4.571 0.329 1.00 0.00 C ATOM 0 H THR A 97 -9.013 4.329 2.720 1.00 0.00 H new ATOM 0 HA THR A 97 -7.765 6.752 2.047 1.00 0.00 H new ATOM 0 HB THR A 97 -8.906 6.530 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.597 4.847 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.395 4.190 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.118 4.906 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.294 3.779 1.065 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.593 8.573 1.886 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.517 9.659 2.154 1.00 0.00 C ATOM 1404 C GLY A 98 -11.801 9.538 1.358 1.00 0.00 C ATOM 1405 O GLY A 98 -11.896 8.723 0.441 1.00 0.00 O ATOM 0 H GLY A 98 -8.809 8.817 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.753 9.677 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.035 10.608 1.919 1.00 0.00 H new