USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=23 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 -73:sc= 0.941 USER MOD Set 1.2: A 97 THR OG1 : rot 168:sc= 1.61 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.597 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 -160:sc= -0.414 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -10:sc= 0.146 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 32 ASN : amide:sc= 1.83 K(o=1.8,f=-5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 39 TYR OH : rot 154:sc= 0.21 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.325 F(o=-2.2,f=-0.32) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0229 K(o=-0.023,f=-0.61) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 81:sc= -0.921 USER MOD Single : A 74 TYR OH : rot -176:sc= -0.322 USER MOD Single : A 82 ASN : amide:sc= -5.32! C(o=-5.3!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 130:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 17.579 -14.998 2.047 1.00 0.00 N ATOM 60 CA GLY A 7 17.003 -13.891 1.306 1.00 0.00 C ATOM 61 C GLY A 7 17.128 -12.573 2.043 1.00 0.00 C ATOM 62 O GLY A 7 17.717 -12.493 3.121 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.496 -13.810 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.950 -14.097 1.111 1.00 0.00 H new ATOM 66 N PRO A 8 16.566 -11.506 1.456 1.00 0.00 N ATOM 67 CA PRO A 8 16.606 -10.165 2.046 1.00 0.00 C ATOM 68 C PRO A 8 15.739 -10.056 3.296 1.00 0.00 C ATOM 69 O PRO A 8 15.021 -10.991 3.650 1.00 0.00 O ATOM 70 CB PRO A 8 16.053 -9.271 0.932 1.00 0.00 C ATOM 71 CG PRO A 8 15.197 -10.173 0.112 1.00 0.00 C ATOM 72 CD PRO A 8 15.848 -11.528 0.170 1.00 0.00 C ATOM 0 HA PRO A 8 17.610 -9.892 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.476 -8.441 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.857 -8.838 0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.181 -10.211 0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.128 -9.817 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.111 -12.330 0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.528 -11.683 -0.668 1.00 0.00 H new ATOM 80 N LYS A 9 15.810 -8.908 3.961 1.00 0.00 N ATOM 81 CA LYS A 9 15.031 -8.675 5.171 1.00 0.00 C ATOM 82 C LYS A 9 13.844 -7.761 4.886 1.00 0.00 C ATOM 83 O LYS A 9 13.831 -7.004 3.915 1.00 0.00 O ATOM 84 CB LYS A 9 15.913 -8.059 6.259 1.00 0.00 C ATOM 85 CG LYS A 9 16.632 -9.088 7.114 1.00 0.00 C ATOM 86 CD LYS A 9 17.089 -8.494 8.436 1.00 0.00 C ATOM 87 CE LYS A 9 18.475 -7.877 8.321 1.00 0.00 C ATOM 88 NZ LYS A 9 18.758 -6.936 9.439 1.00 0.00 N ATOM 0 H LYS A 9 16.400 -8.124 3.682 1.00 0.00 H new ATOM 0 HA LYS A 9 14.652 -9.636 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.651 -7.408 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.297 -7.431 6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.969 -9.932 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.494 -9.475 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.377 -7.735 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.098 -9.270 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.225 -8.668 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.560 -7.349 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.712 -6.537 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.058 -6.167 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.703 -7.445 10.344 1.00 0.00 H new ATOM 102 N PRO A 10 12.821 -7.830 5.752 1.00 0.00 N ATOM 103 CA PRO A 10 11.611 -7.014 5.614 1.00 0.00 C ATOM 104 C PRO A 10 11.874 -5.537 5.891 1.00 0.00 C ATOM 105 O PRO A 10 12.724 -5.175 6.705 1.00 0.00 O ATOM 106 CB PRO A 10 10.669 -7.596 6.670 1.00 0.00 C ATOM 107 CG PRO A 10 11.570 -8.206 7.688 1.00 0.00 C ATOM 108 CD PRO A 10 12.768 -8.710 6.931 1.00 0.00 C ATOM 0 HA PRO A 10 11.210 -7.047 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.041 -6.821 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.000 -8.340 6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.863 -7.473 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.070 -9.019 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.678 -8.640 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.653 -9.756 6.647 1.00 0.00 H new ATOM 116 N PRO A 11 11.128 -4.663 5.199 1.00 0.00 N ATOM 117 CA PRO A 11 11.262 -3.211 5.355 1.00 0.00 C ATOM 118 C PRO A 11 10.754 -2.724 6.708 1.00 0.00 C ATOM 119 O PRO A 11 10.008 -3.427 7.391 1.00 0.00 O ATOM 120 CB PRO A 11 10.393 -2.652 4.225 1.00 0.00 C ATOM 121 CG PRO A 11 9.392 -3.721 3.952 1.00 0.00 C ATOM 122 CD PRO A 11 10.096 -5.024 4.213 1.00 0.00 C ATOM 0 HA PRO A 11 12.303 -2.890 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.908 -1.722 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.989 -2.432 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.520 -3.613 4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.036 -3.669 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.413 -5.778 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.535 -5.433 3.303 1.00 0.00 H new ATOM 130 N ILE A 12 11.162 -1.518 7.088 1.00 0.00 N ATOM 131 CA ILE A 12 10.746 -0.937 8.358 1.00 0.00 C ATOM 132 C ILE A 12 10.230 0.485 8.170 1.00 0.00 C ATOM 133 O ILE A 12 10.188 0.998 7.052 1.00 0.00 O ATOM 134 CB ILE A 12 11.903 -0.921 9.375 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.036 -0.022 8.877 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.410 -2.334 9.623 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.241 -0.007 9.791 1.00 0.00 C ATOM 0 H ILE A 12 11.780 -0.925 6.535 1.00 0.00 H new ATOM 0 HA ILE A 12 9.942 -1.564 8.743 1.00 0.00 H new ATOM 0 HB ILE A 12 11.533 -0.518 10.318 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.345 -0.356 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.660 0.995 8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.227 -2.306 10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.600 -2.947 10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.767 -2.762 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.005 0.651 9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.946 0.356 10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.642 -1.017 9.881 1.00 0.00 H new ATOM 149 N ASP A 13 9.841 1.118 9.271 1.00 0.00 N ATOM 150 CA ASP A 13 9.330 2.484 9.228 1.00 0.00 C ATOM 151 C ASP A 13 8.151 2.593 8.267 1.00 0.00 C ATOM 152 O ASP A 13 7.973 3.613 7.599 1.00 0.00 O ATOM 153 CB ASP A 13 10.437 3.452 8.810 1.00 0.00 C ATOM 154 CG ASP A 13 10.246 4.838 9.394 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.931 4.936 10.598 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.412 5.824 8.646 1.00 0.00 O ATOM 0 H ASP A 13 9.870 0.708 10.204 1.00 0.00 H new ATOM 0 HA ASP A 13 8.986 2.749 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.401 3.056 9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.465 3.520 7.722 1.00 0.00 H new ATOM 161 N LEU A 14 7.349 1.536 8.199 1.00 0.00 N ATOM 162 CA LEU A 14 6.187 1.513 7.318 1.00 0.00 C ATOM 163 C LEU A 14 5.077 2.410 7.857 1.00 0.00 C ATOM 164 O LEU A 14 4.390 2.059 8.816 1.00 0.00 O ATOM 165 CB LEU A 14 5.670 0.081 7.161 1.00 0.00 C ATOM 166 CG LEU A 14 4.937 -0.228 5.856 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.870 -0.063 4.667 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.357 -1.635 5.890 1.00 0.00 C ATOM 0 H LEU A 14 7.482 0.684 8.743 1.00 0.00 H new ATOM 0 HA LEU A 14 6.493 1.892 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.516 -0.601 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.998 -0.135 7.992 1.00 0.00 H new ATOM 0 HG LEU A 14 4.115 0.480 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.330 -0.287 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.237 0.963 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.713 -0.746 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.839 -1.838 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.162 -2.357 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.654 -1.719 6.719 1.00 0.00 H new ATOM 180 N VAL A 15 4.905 3.570 7.230 1.00 0.00 N ATOM 181 CA VAL A 15 3.876 4.517 7.644 1.00 0.00 C ATOM 182 C VAL A 15 3.273 5.234 6.441 1.00 0.00 C ATOM 183 O VAL A 15 3.834 5.210 5.346 1.00 0.00 O ATOM 184 CB VAL A 15 4.438 5.564 8.624 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.354 6.036 9.580 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.624 4.995 9.388 1.00 0.00 C ATOM 0 H VAL A 15 5.465 3.876 6.434 1.00 0.00 H new ATOM 0 HA VAL A 15 3.099 3.941 8.147 1.00 0.00 H new ATOM 0 HB VAL A 15 4.783 6.425 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.769 6.775 10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.539 6.485 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.976 5.187 10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.009 5.748 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.307 4.117 9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.407 4.712 8.685 1.00 0.00 H new ATOM 196 N VAL A 16 2.127 5.873 6.653 1.00 0.00 N ATOM 197 CA VAL A 16 1.448 6.599 5.587 1.00 0.00 C ATOM 198 C VAL A 16 1.635 8.104 5.742 1.00 0.00 C ATOM 199 O VAL A 16 1.456 8.655 6.829 1.00 0.00 O ATOM 200 CB VAL A 16 -0.058 6.280 5.561 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.756 7.085 4.476 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.283 4.789 5.357 1.00 0.00 C ATOM 0 H VAL A 16 1.649 5.902 7.554 1.00 0.00 H new ATOM 0 HA VAL A 16 1.896 6.275 4.648 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.488 6.562 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.819 6.846 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.624 8.149 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.326 6.837 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.353 4.581 5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.161 4.480 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.182 4.236 6.173 1.00 0.00 H new ATOM 212 N THR A 17 1.996 8.766 4.647 1.00 0.00 N ATOM 213 CA THR A 17 2.208 10.208 4.661 1.00 0.00 C ATOM 214 C THR A 17 1.020 10.944 4.051 1.00 0.00 C ATOM 215 O THR A 17 0.673 12.044 4.481 1.00 0.00 O ATOM 216 CB THR A 17 3.486 10.595 3.893 1.00 0.00 C ATOM 217 OG1 THR A 17 3.868 11.936 4.222 1.00 0.00 O ATOM 218 CG2 THR A 17 3.272 10.478 2.391 1.00 0.00 C ATOM 0 H THR A 17 2.148 8.326 3.739 1.00 0.00 H new ATOM 0 HA THR A 17 2.317 10.502 5.705 1.00 0.00 H new ATOM 0 HB THR A 17 4.281 9.909 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.682 12.174 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.188 10.756 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.010 9.450 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.465 11.143 2.086 1.00 0.00 H new ATOM 226 N GLU A 18 0.400 10.330 3.049 1.00 0.00 N ATOM 227 CA GLU A 18 -0.750 10.929 2.381 1.00 0.00 C ATOM 228 C GLU A 18 -1.758 9.859 1.969 1.00 0.00 C ATOM 229 O GLU A 18 -1.391 8.717 1.692 1.00 0.00 O ATOM 230 CB GLU A 18 -0.299 11.720 1.152 1.00 0.00 C ATOM 231 CG GLU A 18 0.325 13.064 1.488 1.00 0.00 C ATOM 232 CD GLU A 18 0.476 13.958 0.273 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.178 13.554 -0.678 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.108 15.062 0.272 1.00 0.00 O ATOM 0 H GLU A 18 0.674 9.419 2.682 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.233 11.608 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.422 11.124 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.157 11.880 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.290 13.570 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.304 12.903 1.940 1.00 0.00 H new ATOM 241 N THR A 19 -3.031 10.238 1.931 1.00 0.00 N ATOM 242 CA THR A 19 -4.093 9.313 1.555 1.00 0.00 C ATOM 243 C THR A 19 -5.136 9.999 0.680 1.00 0.00 C ATOM 244 O THR A 19 -5.883 10.861 1.145 1.00 0.00 O ATOM 245 CB THR A 19 -4.789 8.723 2.796 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.844 9.702 3.839 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.054 7.487 3.292 1.00 0.00 C ATOM 0 H THR A 19 -3.352 11.180 2.156 1.00 0.00 H new ATOM 0 HA THR A 19 -3.624 8.506 0.992 1.00 0.00 H new ATOM 0 HB THR A 19 -5.802 8.436 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.289 9.319 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.564 7.088 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.040 6.732 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.031 7.754 3.557 1.00 0.00 H new ATOM 255 N THR A 20 -5.183 9.611 -0.591 1.00 0.00 N ATOM 256 CA THR A 20 -6.134 10.189 -1.532 1.00 0.00 C ATOM 257 C THR A 20 -7.390 9.332 -1.640 1.00 0.00 C ATOM 258 O THR A 20 -7.370 8.143 -1.326 1.00 0.00 O ATOM 259 CB THR A 20 -5.513 10.349 -2.932 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.095 10.517 -2.822 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.115 11.543 -3.658 1.00 0.00 C ATOM 0 H THR A 20 -4.573 8.899 -0.992 1.00 0.00 H new ATOM 0 HA THR A 20 -6.401 11.173 -1.147 1.00 0.00 H new ATOM 0 HB THR A 20 -5.729 9.448 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.749 10.926 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.661 11.636 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.190 11.399 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.926 12.451 -3.085 1.00 0.00 H new ATOM 269 N ALA A 21 -8.482 9.944 -2.088 1.00 0.00 N ATOM 270 CA ALA A 21 -9.746 9.235 -2.241 1.00 0.00 C ATOM 271 C ALA A 21 -9.570 7.972 -3.077 1.00 0.00 C ATOM 272 O ALA A 21 -10.173 6.937 -2.793 1.00 0.00 O ATOM 273 CB ALA A 21 -10.789 10.147 -2.870 1.00 0.00 C ATOM 0 H ALA A 21 -8.516 10.929 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.090 8.937 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.728 9.605 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.944 11.017 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.443 10.473 -3.851 1.00 0.00 H new ATOM 279 N THR A 22 -8.741 8.064 -4.112 1.00 0.00 N ATOM 280 CA THR A 22 -8.487 6.930 -4.992 1.00 0.00 C ATOM 281 C THR A 22 -6.995 6.638 -5.096 1.00 0.00 C ATOM 282 O THR A 22 -6.535 6.047 -6.072 1.00 0.00 O ATOM 283 CB THR A 22 -9.050 7.178 -6.404 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.547 8.414 -6.922 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.571 7.213 -6.382 1.00 0.00 C ATOM 0 H THR A 22 -8.234 8.913 -4.362 1.00 0.00 H new ATOM 0 HA THR A 22 -8.993 6.070 -4.553 1.00 0.00 H new ATOM 0 HB THR A 22 -8.731 6.358 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.908 8.563 -7.821 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.946 7.389 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.952 6.260 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.907 8.015 -5.725 1.00 0.00 H new ATOM 293 N SER A 23 -6.243 7.056 -4.082 1.00 0.00 N ATOM 294 CA SER A 23 -4.801 6.841 -4.061 1.00 0.00 C ATOM 295 C SER A 23 -4.261 6.917 -2.636 1.00 0.00 C ATOM 296 O SER A 23 -4.950 7.368 -1.722 1.00 0.00 O ATOM 297 CB SER A 23 -4.097 7.876 -4.942 1.00 0.00 C ATOM 298 OG SER A 23 -4.924 8.274 -6.021 1.00 0.00 O ATOM 0 H SER A 23 -6.609 7.545 -3.265 1.00 0.00 H new ATOM 0 HA SER A 23 -4.601 5.844 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.831 8.747 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.167 7.458 -5.327 1.00 0.00 H new ATOM 0 HG SER A 23 -4.452 8.936 -6.568 1.00 0.00 H new ATOM 304 N VAL A 24 -3.021 6.472 -2.455 1.00 0.00 N ATOM 305 CA VAL A 24 -2.386 6.490 -1.143 1.00 0.00 C ATOM 306 C VAL A 24 -0.867 6.506 -1.267 1.00 0.00 C ATOM 307 O VAL A 24 -0.307 5.998 -2.239 1.00 0.00 O ATOM 308 CB VAL A 24 -2.808 5.273 -0.299 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.775 4.004 -1.137 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.914 5.137 0.924 1.00 0.00 C ATOM 0 H VAL A 24 -2.437 6.095 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.716 7.401 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.831 5.428 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.076 3.155 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.461 4.105 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.764 3.841 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.227 4.272 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.880 5.005 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.994 6.036 1.535 1.00 0.00 H new ATOM 320 N THR A 25 -0.204 7.093 -0.276 1.00 0.00 N ATOM 321 CA THR A 25 1.251 7.176 -0.274 1.00 0.00 C ATOM 322 C THR A 25 1.845 6.407 0.900 1.00 0.00 C ATOM 323 O THR A 25 1.458 6.615 2.051 1.00 0.00 O ATOM 324 CB THR A 25 1.730 8.639 -0.209 1.00 0.00 C ATOM 325 OG1 THR A 25 1.192 9.380 -1.310 1.00 0.00 O ATOM 326 CG2 THR A 25 3.249 8.713 -0.235 1.00 0.00 C ATOM 0 H THR A 25 -0.652 7.518 0.536 1.00 0.00 H new ATOM 0 HA THR A 25 1.594 6.730 -1.207 1.00 0.00 H new ATOM 0 HB THR A 25 1.377 9.072 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.500 10.309 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.563 9.756 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.654 8.173 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.619 8.263 -1.156 1.00 0.00 H new ATOM 334 N LEU A 26 2.785 5.517 0.603 1.00 0.00 N ATOM 335 CA LEU A 26 3.434 4.716 1.636 1.00 0.00 C ATOM 336 C LEU A 26 4.920 5.047 1.729 1.00 0.00 C ATOM 337 O LEU A 26 5.595 5.216 0.713 1.00 0.00 O ATOM 338 CB LEU A 26 3.249 3.225 1.344 1.00 0.00 C ATOM 339 CG LEU A 26 3.231 2.300 2.561 1.00 0.00 C ATOM 340 CD1 LEU A 26 1.971 2.524 3.383 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.334 0.845 2.126 1.00 0.00 C ATOM 0 H LEU A 26 3.115 5.331 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 26 2.968 4.954 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.313 3.095 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.051 2.903 0.680 1.00 0.00 H new ATOM 0 HG LEU A 26 4.094 2.534 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.976 1.857 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.939 3.559 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.094 2.317 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.320 0.201 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.491 0.598 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.265 0.693 1.580 1.00 0.00 H new ATOM 353 N THR A 27 5.425 5.136 2.956 1.00 0.00 N ATOM 354 CA THR A 27 6.831 5.445 3.182 1.00 0.00 C ATOM 355 C THR A 27 7.480 4.414 4.099 1.00 0.00 C ATOM 356 O THR A 27 6.858 3.934 5.047 1.00 0.00 O ATOM 357 CB THR A 27 7.006 6.846 3.799 1.00 0.00 C ATOM 358 OG1 THR A 27 6.162 6.984 4.948 1.00 0.00 O ATOM 359 CG2 THR A 27 6.671 7.929 2.785 1.00 0.00 C ATOM 0 H THR A 27 4.881 4.998 3.808 1.00 0.00 H new ATOM 0 HA THR A 27 7.320 5.421 2.208 1.00 0.00 H new ATOM 0 HB THR A 27 8.048 6.960 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.546 6.223 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.802 8.909 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.334 7.839 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.637 7.816 2.460 1.00 0.00 H new ATOM 367 N TRP A 28 8.732 4.080 3.812 1.00 0.00 N ATOM 368 CA TRP A 28 9.466 3.106 4.612 1.00 0.00 C ATOM 369 C TRP A 28 10.969 3.242 4.393 1.00 0.00 C ATOM 370 O TRP A 28 11.410 3.891 3.444 1.00 0.00 O ATOM 371 CB TRP A 28 9.014 1.686 4.265 1.00 0.00 C ATOM 372 CG TRP A 28 9.450 1.240 2.903 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.577 0.534 2.593 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.768 1.472 1.666 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.637 0.313 1.238 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.538 0.877 0.647 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.580 2.122 1.319 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.158 0.916 -0.692 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.205 2.160 -0.010 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.991 1.560 -1.002 1.00 0.00 C ATOM 0 H TRP A 28 9.261 4.469 3.031 1.00 0.00 H new ATOM 0 HA TRP A 28 9.252 3.302 5.663 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.409 0.995 5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.927 1.633 4.326 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.313 0.198 3.308 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.379 -0.189 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.966 2.586 2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.763 0.454 -1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.290 2.661 -0.289 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.670 1.607 -2.032 1.00 0.00 H new ATOM 391 N ASP A 29 11.749 2.626 5.274 1.00 0.00 N ATOM 392 CA ASP A 29 13.203 2.677 5.175 1.00 0.00 C ATOM 393 C ASP A 29 13.748 1.415 4.514 1.00 0.00 C ATOM 394 O ASP A 29 13.124 0.355 4.569 1.00 0.00 O ATOM 395 CB ASP A 29 13.824 2.850 6.562 1.00 0.00 C ATOM 396 CG ASP A 29 13.960 4.307 6.958 1.00 0.00 C ATOM 397 OD1 ASP A 29 12.920 4.959 7.188 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.107 4.795 7.038 1.00 0.00 O ATOM 0 H ASP A 29 11.399 2.085 6.065 1.00 0.00 H new ATOM 0 HA ASP A 29 13.470 3.534 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.210 2.332 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.807 2.379 6.578 1.00 0.00 H new ATOM 403 N SER A 30 14.914 1.537 3.888 1.00 0.00 N ATOM 404 CA SER A 30 15.541 0.407 3.211 1.00 0.00 C ATOM 405 C SER A 30 15.525 -0.834 4.099 1.00 0.00 C ATOM 406 O SER A 30 15.137 -1.917 3.663 1.00 0.00 O ATOM 407 CB SER A 30 16.980 0.752 2.824 1.00 0.00 C ATOM 408 OG SER A 30 17.739 1.125 3.961 1.00 0.00 O ATOM 0 H SER A 30 15.444 2.407 3.835 1.00 0.00 H new ATOM 0 HA SER A 30 14.970 0.194 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.445 -0.106 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.980 1.567 2.100 1.00 0.00 H new ATOM 0 HG SER A 30 18.655 1.339 3.687 1.00 0.00 H new ATOM 414 N GLY A 31 15.949 -0.667 5.348 1.00 0.00 N ATOM 415 CA GLY A 31 15.976 -1.781 6.277 1.00 0.00 C ATOM 416 C GLY A 31 17.151 -2.707 6.038 1.00 0.00 C ATOM 417 O GLY A 31 17.881 -3.047 6.968 1.00 0.00 O ATOM 0 H GLY A 31 16.274 0.220 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.020 -1.399 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.048 -2.346 6.189 1.00 0.00 H new ATOM 421 N ASN A 32 17.334 -3.118 4.788 1.00 0.00 N ATOM 422 CA ASN A 32 18.428 -4.013 4.429 1.00 0.00 C ATOM 423 C ASN A 32 19.766 -3.281 4.472 1.00 0.00 C ATOM 424 O ASN A 32 19.827 -2.065 4.289 1.00 0.00 O ATOM 425 CB ASN A 32 18.200 -4.599 3.035 1.00 0.00 C ATOM 426 CG ASN A 32 17.258 -5.787 3.054 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.685 -6.934 2.920 1.00 0.00 O ATOM 428 ND2 ASN A 32 15.968 -5.517 3.222 1.00 0.00 N ATOM 0 H ASN A 32 16.739 -2.845 4.006 1.00 0.00 H new ATOM 0 HA ASN A 32 18.453 -4.824 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.794 -3.827 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.157 -4.904 2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.287 -6.276 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.659 -4.551 3.329 1.00 0.00 H new ATOM 475 N VAL A 36 19.304 -4.029 -2.421 1.00 0.00 N ATOM 476 CA VAL A 36 18.637 -5.118 -3.124 1.00 0.00 C ATOM 477 C VAL A 36 18.207 -4.688 -4.522 1.00 0.00 C ATOM 478 O VAL A 36 18.425 -3.545 -4.927 1.00 0.00 O ATOM 479 CB VAL A 36 17.401 -5.612 -2.348 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.792 -6.056 -0.947 1.00 0.00 C ATOM 481 CG2 VAL A 36 16.337 -4.527 -2.295 1.00 0.00 C ATOM 0 HA VAL A 36 19.357 -5.932 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 36 16.984 -6.472 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.906 -6.401 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.516 -6.868 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.234 -5.217 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.471 -4.893 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.740 -3.646 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.036 -4.263 -3.309 1.00 0.00 H new ATOM 491 N THR A 37 17.595 -5.611 -5.257 1.00 0.00 N ATOM 492 CA THR A 37 17.134 -5.328 -6.611 1.00 0.00 C ATOM 493 C THR A 37 15.968 -4.347 -6.601 1.00 0.00 C ATOM 494 O THR A 37 16.044 -3.271 -7.195 1.00 0.00 O ATOM 495 CB THR A 37 16.702 -6.616 -7.337 1.00 0.00 C ATOM 496 OG1 THR A 37 17.716 -7.618 -7.205 1.00 0.00 O ATOM 497 CG2 THR A 37 16.440 -6.344 -8.811 1.00 0.00 C ATOM 0 H THR A 37 17.407 -6.561 -4.937 1.00 0.00 H new ATOM 0 HA THR A 37 17.974 -4.883 -7.145 1.00 0.00 H new ATOM 0 HB THR A 37 15.779 -6.972 -6.879 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.432 -8.434 -7.668 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.136 -7.268 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.647 -5.603 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.349 -5.966 -9.278 1.00 0.00 H new ATOM 505 N TYR A 38 14.889 -4.724 -5.924 1.00 0.00 N ATOM 506 CA TYR A 38 13.705 -3.877 -5.839 1.00 0.00 C ATOM 507 C TYR A 38 12.854 -4.251 -4.629 1.00 0.00 C ATOM 508 O TYR A 38 13.183 -5.176 -3.886 1.00 0.00 O ATOM 509 CB TYR A 38 12.874 -3.996 -7.118 1.00 0.00 C ATOM 510 CG TYR A 38 12.112 -5.298 -7.226 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.729 -6.450 -7.698 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.776 -5.375 -6.855 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.036 -7.641 -7.799 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.075 -6.562 -6.951 1.00 0.00 C ATOM 515 CZ TYR A 38 10.710 -7.692 -7.424 1.00 0.00 C ATOM 516 OH TYR A 38 10.017 -8.877 -7.522 1.00 0.00 O ATOM 0 H TYR A 38 14.810 -5.611 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 38 14.035 -2.845 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.168 -3.167 -7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.534 -3.898 -7.980 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.768 -6.414 -7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.276 -4.492 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.530 -8.527 -8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.037 -6.605 -6.658 1.00 0.00 H new ATOM 0 HH TYR A 38 9.095 -8.743 -7.217 1.00 0.00 H new ATOM 526 N TYR A 39 11.758 -3.526 -4.439 1.00 0.00 N ATOM 527 CA TYR A 39 10.858 -3.779 -3.319 1.00 0.00 C ATOM 528 C TYR A 39 9.422 -3.953 -3.803 1.00 0.00 C ATOM 529 O TYR A 39 8.853 -3.060 -4.429 1.00 0.00 O ATOM 530 CB TYR A 39 10.933 -2.633 -2.309 1.00 0.00 C ATOM 531 CG TYR A 39 12.221 -2.606 -1.517 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.428 -2.285 -2.127 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.232 -2.904 -0.160 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.607 -2.261 -1.408 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.406 -2.880 0.567 1.00 0.00 C ATOM 536 CZ TYR A 39 14.591 -2.558 -0.061 1.00 0.00 C ATOM 537 OH TYR A 39 15.763 -2.535 0.659 1.00 0.00 O ATOM 0 H TYR A 39 11.471 -2.758 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 39 11.173 -4.703 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.822 -1.686 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.093 -2.713 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.444 -2.050 -3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.306 -3.159 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.537 -2.011 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.396 -3.112 1.622 1.00 0.00 H new ATOM 0 HH TYR A 39 15.564 -2.356 1.602 1.00 0.00 H new ATOM 547 N GLY A 40 8.840 -5.111 -3.506 1.00 0.00 N ATOM 548 CA GLY A 40 7.475 -5.383 -3.916 1.00 0.00 C ATOM 549 C GLY A 40 6.455 -4.759 -2.985 1.00 0.00 C ATOM 550 O GLY A 40 6.797 -4.310 -1.890 1.00 0.00 O ATOM 0 H GLY A 40 9.290 -5.866 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.320 -5.004 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.318 -6.461 -3.952 1.00 0.00 H new ATOM 554 N ILE A 41 5.199 -4.731 -3.419 1.00 0.00 N ATOM 555 CA ILE A 41 4.127 -4.158 -2.616 1.00 0.00 C ATOM 556 C ILE A 41 2.836 -4.956 -2.771 1.00 0.00 C ATOM 557 O ILE A 41 2.472 -5.354 -3.877 1.00 0.00 O ATOM 558 CB ILE A 41 3.859 -2.690 -2.999 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.119 -1.848 -2.793 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.702 -2.132 -2.183 1.00 0.00 C ATOM 561 CD1 ILE A 41 5.068 -0.504 -3.485 1.00 0.00 C ATOM 0 H ILE A 41 4.900 -5.099 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 41 4.455 -4.200 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 41 3.587 -2.649 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.271 -1.692 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.982 -2.404 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.525 -1.094 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.804 -2.719 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.947 -2.183 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.994 0.038 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.947 -0.652 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.226 0.071 -3.101 1.00 0.00 H new ATOM 573 N GLN A 42 2.150 -5.184 -1.656 1.00 0.00 N ATOM 574 CA GLN A 42 0.899 -5.933 -1.669 1.00 0.00 C ATOM 575 C GLN A 42 -0.168 -5.225 -0.842 1.00 0.00 C ATOM 576 O GLN A 42 0.103 -4.743 0.258 1.00 0.00 O ATOM 577 CB GLN A 42 1.123 -7.348 -1.133 1.00 0.00 C ATOM 578 CG GLN A 42 2.012 -8.202 -2.022 1.00 0.00 C ATOM 579 CD GLN A 42 2.773 -9.258 -1.244 1.00 0.00 C ATOM 580 OE1 GLN A 42 4.098 -9.195 -1.301 1.00 0.00 O flip ATOM 581 NE2 GLN A 42 2.177 -10.120 -0.598 1.00 0.00 N flip ATOM 0 H GLN A 42 2.439 -4.861 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 42 0.551 -5.994 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.569 -7.285 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.158 -7.841 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.400 -8.687 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.721 -7.560 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.157 -10.131 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.703 -10.823 -0.079 1.00 0.00 H new ATOM 590 N TYR A 43 -1.382 -5.166 -1.377 1.00 0.00 N ATOM 591 CA TYR A 43 -2.490 -4.515 -0.690 1.00 0.00 C ATOM 592 C TYR A 43 -3.814 -5.198 -1.020 1.00 0.00 C ATOM 593 O TYR A 43 -3.979 -5.769 -2.098 1.00 0.00 O ATOM 594 CB TYR A 43 -2.558 -3.035 -1.073 1.00 0.00 C ATOM 595 CG TYR A 43 -2.649 -2.800 -2.564 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.505 -2.762 -3.353 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.879 -2.615 -3.184 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.584 -2.547 -4.715 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.967 -2.401 -4.546 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.817 -2.367 -5.307 1.00 0.00 C ATOM 601 OH TYR A 43 -2.900 -2.153 -6.664 1.00 0.00 O ATOM 0 H TYR A 43 -1.624 -5.562 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.316 -4.598 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.423 -2.582 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.674 -2.527 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.538 -2.903 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.781 -2.639 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.685 -2.520 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.931 -2.261 -5.012 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.840 -2.047 -6.922 1.00 0.00 H new ATOM 611 N ARG A 44 -4.755 -5.134 -0.083 1.00 0.00 N ATOM 612 CA ARG A 44 -6.064 -5.747 -0.273 1.00 0.00 C ATOM 613 C ARG A 44 -7.108 -5.088 0.625 1.00 0.00 C ATOM 614 O ARG A 44 -6.839 -4.787 1.787 1.00 0.00 O ATOM 615 CB ARG A 44 -5.997 -7.247 0.020 1.00 0.00 C ATOM 616 CG ARG A 44 -7.337 -7.952 -0.103 1.00 0.00 C ATOM 617 CD ARG A 44 -7.556 -8.490 -1.509 1.00 0.00 C ATOM 618 NE ARG A 44 -8.974 -8.577 -1.847 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.678 -7.561 -2.334 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.097 -6.387 -2.539 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.965 -7.718 -2.617 1.00 0.00 N ATOM 0 H ARG A 44 -4.635 -4.664 0.814 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.358 -5.600 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.288 -7.711 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.610 -7.395 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.385 -8.772 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.139 -7.259 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.051 -7.844 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.102 -9.477 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.450 -9.467 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.108 -6.263 -2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.639 -5.608 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.415 -8.620 -2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.504 -6.937 -2.991 1.00 0.00 H new ATOM 635 N ALA A 45 -8.298 -4.868 0.076 1.00 0.00 N ATOM 636 CA ALA A 45 -9.382 -4.247 0.827 1.00 0.00 C ATOM 637 C ALA A 45 -9.571 -4.924 2.181 1.00 0.00 C ATOM 638 O ALA A 45 -9.882 -6.112 2.253 1.00 0.00 O ATOM 639 CB ALA A 45 -10.675 -4.295 0.026 1.00 0.00 C ATOM 0 H ALA A 45 -8.536 -5.111 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.116 -3.205 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.476 -3.828 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.541 -3.759 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.936 -5.333 -0.182 1.00 0.00 H new ATOM 732 N GLN A 53 -3.159 -7.997 -3.767 1.00 0.00 N ATOM 733 CA GLN A 53 -2.537 -7.480 -4.980 1.00 0.00 C ATOM 734 C GLN A 53 -1.019 -7.603 -4.909 1.00 0.00 C ATOM 735 O GLN A 53 -0.456 -7.839 -3.840 1.00 0.00 O ATOM 736 CB GLN A 53 -2.932 -6.019 -5.199 1.00 0.00 C ATOM 737 CG GLN A 53 -4.356 -5.842 -5.701 1.00 0.00 C ATOM 738 CD GLN A 53 -4.508 -6.201 -7.165 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.656 -5.869 -7.990 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.597 -6.884 -7.498 1.00 0.00 N ATOM 0 HA GLN A 53 -2.892 -8.075 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.816 -5.476 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.245 -5.569 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.026 -6.463 -5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.664 -4.807 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.278 -7.139 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.753 -7.154 -8.469 1.00 0.00 H new ATOM 749 N GLU A 54 -0.362 -7.443 -6.054 1.00 0.00 N ATOM 750 CA GLU A 54 1.091 -7.538 -6.120 1.00 0.00 C ATOM 751 C GLU A 54 1.664 -6.477 -7.055 1.00 0.00 C ATOM 752 O GLU A 54 1.086 -6.177 -8.100 1.00 0.00 O ATOM 753 CB GLU A 54 1.513 -8.931 -6.592 1.00 0.00 C ATOM 754 CG GLU A 54 3.019 -9.123 -6.654 1.00 0.00 C ATOM 755 CD GLU A 54 3.642 -8.457 -7.867 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.008 -8.470 -8.942 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.764 -7.924 -7.738 1.00 0.00 O ATOM 0 H GLU A 54 -0.813 -7.247 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 54 1.486 -7.367 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.088 -9.677 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.091 -9.114 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.471 -8.717 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.245 -10.189 -6.673 1.00 0.00 H new ATOM 764 N VAL A 55 2.804 -5.911 -6.672 1.00 0.00 N ATOM 765 CA VAL A 55 3.456 -4.884 -7.475 1.00 0.00 C ATOM 766 C VAL A 55 4.972 -5.033 -7.433 1.00 0.00 C ATOM 767 O VAL A 55 5.560 -5.208 -6.365 1.00 0.00 O ATOM 768 CB VAL A 55 3.077 -3.470 -6.994 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.800 -2.415 -7.817 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.570 -3.271 -7.062 1.00 0.00 C ATOM 0 H VAL A 55 3.295 -6.147 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 55 3.109 -5.017 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 55 3.388 -3.362 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.520 -1.423 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.877 -2.547 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.522 -2.518 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.320 -2.267 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.232 -3.398 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.077 -4.006 -6.425 1.00 0.00 H new ATOM 780 N ASP A 56 5.601 -4.963 -8.601 1.00 0.00 N ATOM 781 CA ASP A 56 7.051 -5.089 -8.698 1.00 0.00 C ATOM 782 C ASP A 56 7.633 -3.993 -9.584 1.00 0.00 C ATOM 783 O ASP A 56 7.081 -3.672 -10.636 1.00 0.00 O ATOM 784 CB ASP A 56 7.428 -6.464 -9.252 1.00 0.00 C ATOM 785 CG ASP A 56 7.002 -6.644 -10.696 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.791 -6.524 -10.977 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.880 -6.903 -11.545 1.00 0.00 O ATOM 0 H ASP A 56 5.130 -4.820 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 56 7.469 -4.982 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.507 -6.600 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.965 -7.238 -8.640 1.00 0.00 H new ATOM 792 N GLY A 57 8.752 -3.420 -9.151 1.00 0.00 N ATOM 793 CA GLY A 57 9.390 -2.364 -9.916 1.00 0.00 C ATOM 794 C GLY A 57 9.471 -1.060 -9.148 1.00 0.00 C ATOM 795 O GLY A 57 9.287 0.016 -9.717 1.00 0.00 O ATOM 0 H GLY A 57 9.228 -3.668 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.395 -2.679 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.836 -2.204 -10.841 1.00 0.00 H new ATOM 799 N VAL A 58 9.746 -1.154 -7.851 1.00 0.00 N ATOM 800 CA VAL A 58 9.850 0.028 -7.004 1.00 0.00 C ATOM 801 C VAL A 58 11.260 0.179 -6.442 1.00 0.00 C ATOM 802 O VAL A 58 11.557 -0.299 -5.348 1.00 0.00 O ATOM 803 CB VAL A 58 8.847 -0.028 -5.836 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.795 1.308 -5.112 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.468 -0.427 -6.338 1.00 0.00 C ATOM 0 H VAL A 58 9.901 -2.037 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 58 9.618 0.888 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 58 9.183 -0.784 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.081 1.249 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.783 1.547 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.484 2.087 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.772 -0.462 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.121 0.304 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.522 -1.410 -6.806 1.00 0.00 H new ATOM 815 N ALA A 59 12.124 0.847 -7.199 1.00 0.00 N ATOM 816 CA ALA A 59 13.502 1.063 -6.776 1.00 0.00 C ATOM 817 C ALA A 59 13.620 2.312 -5.908 1.00 0.00 C ATOM 818 O ALA A 59 14.617 3.032 -5.970 1.00 0.00 O ATOM 819 CB ALA A 59 14.415 1.172 -7.988 1.00 0.00 C ATOM 0 H ALA A 59 11.894 1.248 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 59 13.811 0.206 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.441 1.333 -7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.361 0.251 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.098 2.010 -8.608 1.00 0.00 H new ATOM 825 N THR A 60 12.595 2.564 -5.099 1.00 0.00 N ATOM 826 CA THR A 60 12.584 3.726 -4.220 1.00 0.00 C ATOM 827 C THR A 60 11.999 3.378 -2.856 1.00 0.00 C ATOM 828 O THR A 60 11.365 2.336 -2.687 1.00 0.00 O ATOM 829 CB THR A 60 11.774 4.885 -4.832 1.00 0.00 C ATOM 830 OG1 THR A 60 10.577 4.382 -5.436 1.00 0.00 O ATOM 831 CG2 THR A 60 12.597 5.631 -5.872 1.00 0.00 C ATOM 0 H THR A 60 11.762 1.979 -5.035 1.00 0.00 H new ATOM 0 HA THR A 60 13.621 4.040 -4.099 1.00 0.00 H new ATOM 0 HB THR A 60 11.513 5.578 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.067 5.125 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.004 6.445 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.493 6.038 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.884 4.945 -6.669 1.00 0.00 H new ATOM 839 N THR A 61 12.216 4.258 -1.883 1.00 0.00 N ATOM 840 CA THR A 61 11.711 4.043 -0.532 1.00 0.00 C ATOM 841 C THR A 61 10.375 4.746 -0.327 1.00 0.00 C ATOM 842 O THR A 61 9.934 4.944 0.806 1.00 0.00 O ATOM 843 CB THR A 61 12.711 4.544 0.527 1.00 0.00 C ATOM 844 OG1 THR A 61 13.096 5.893 0.238 1.00 0.00 O ATOM 845 CG2 THR A 61 13.945 3.657 0.570 1.00 0.00 C ATOM 0 H THR A 61 12.738 5.126 -2.005 1.00 0.00 H new ATOM 0 HA THR A 61 11.575 2.968 -0.412 1.00 0.00 H new ATOM 0 HB THR A 61 12.223 4.507 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.730 6.205 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.636 4.031 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.652 2.637 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.433 3.665 -0.404 1.00 0.00 H new ATOM 853 N ARG A 62 9.733 5.121 -1.428 1.00 0.00 N ATOM 854 CA ARG A 62 8.446 5.804 -1.368 1.00 0.00 C ATOM 855 C ARG A 62 7.600 5.478 -2.596 1.00 0.00 C ATOM 856 O ARG A 62 7.971 5.806 -3.723 1.00 0.00 O ATOM 857 CB ARG A 62 8.651 7.316 -1.264 1.00 0.00 C ATOM 858 CG ARG A 62 7.447 8.056 -0.703 1.00 0.00 C ATOM 859 CD ARG A 62 7.865 9.314 0.043 1.00 0.00 C ATOM 860 NE ARG A 62 7.982 10.465 -0.848 1.00 0.00 N ATOM 861 CZ ARG A 62 6.945 11.044 -1.441 1.00 0.00 C ATOM 862 NH1 ARG A 62 5.719 10.582 -1.240 1.00 0.00 N ATOM 863 NH2 ARG A 62 7.133 12.088 -2.238 1.00 0.00 N ATOM 0 H ARG A 62 10.083 4.963 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 62 7.918 5.454 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.516 7.514 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.882 7.712 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.770 8.321 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.896 7.399 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.136 9.532 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.820 9.141 0.539 1.00 0.00 H new ATOM 0 HE ARG A 62 8.912 10.845 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.570 9.779 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.924 11.029 -1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.075 12.446 -2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.336 12.532 -2.693 1.00 0.00 H new ATOM 877 N TYR A 63 6.463 4.830 -2.368 1.00 0.00 N ATOM 878 CA TYR A 63 5.565 4.457 -3.456 1.00 0.00 C ATOM 879 C TYR A 63 4.111 4.720 -3.076 1.00 0.00 C ATOM 880 O TYR A 63 3.728 4.593 -1.913 1.00 0.00 O ATOM 881 CB TYR A 63 5.751 2.982 -3.815 1.00 0.00 C ATOM 882 CG TYR A 63 4.853 2.514 -4.937 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.264 2.596 -6.262 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.593 1.991 -4.673 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.446 2.170 -7.291 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.769 1.562 -5.696 1.00 0.00 C ATOM 887 CZ TYR A 63 3.200 1.653 -7.003 1.00 0.00 C ATOM 888 OH TYR A 63 2.382 1.228 -8.024 1.00 0.00 O ATOM 0 H TYR A 63 6.141 4.552 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 63 5.812 5.069 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.790 2.814 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.560 2.375 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.239 2.999 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.252 1.919 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.780 2.241 -8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.793 1.158 -5.473 1.00 0.00 H new ATOM 0 HH TYR A 63 1.541 0.891 -7.651 1.00 0.00 H new ATOM 898 N SER A 64 3.305 5.087 -4.068 1.00 0.00 N ATOM 899 CA SER A 64 1.893 5.371 -3.839 1.00 0.00 C ATOM 900 C SER A 64 1.011 4.357 -4.561 1.00 0.00 C ATOM 901 O SER A 64 1.319 3.932 -5.675 1.00 0.00 O ATOM 902 CB SER A 64 1.554 6.787 -4.311 1.00 0.00 C ATOM 903 OG SER A 64 1.615 6.882 -5.723 1.00 0.00 O ATOM 0 H SER A 64 3.605 5.194 -5.037 1.00 0.00 H new ATOM 0 HA SER A 64 1.701 5.296 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.556 7.059 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.249 7.498 -3.865 1.00 0.00 H new ATOM 0 HG SER A 64 1.393 7.796 -5.999 1.00 0.00 H new ATOM 909 N ILE A 65 -0.087 3.974 -3.918 1.00 0.00 N ATOM 910 CA ILE A 65 -1.015 3.011 -4.498 1.00 0.00 C ATOM 911 C ILE A 65 -2.291 3.696 -4.976 1.00 0.00 C ATOM 912 O ILE A 65 -2.853 4.540 -4.279 1.00 0.00 O ATOM 913 CB ILE A 65 -1.384 1.908 -3.490 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.127 1.167 -3.028 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.380 0.938 -4.108 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.518 1.778 -1.804 1.00 0.00 C ATOM 0 H ILE A 65 -0.356 4.316 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.508 2.558 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.849 2.372 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.384 0.130 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.597 1.154 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.631 0.164 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.284 1.477 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.939 0.478 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.403 1.202 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.807 2.807 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.190 1.766 -0.975 1.00 0.00 H new ATOM 928 N GLY A 66 -2.744 3.326 -6.169 1.00 0.00 N ATOM 929 CA GLY A 66 -3.952 3.913 -6.719 1.00 0.00 C ATOM 930 C GLY A 66 -4.946 2.866 -7.183 1.00 0.00 C ATOM 931 O GLY A 66 -4.655 1.671 -7.162 1.00 0.00 O ATOM 0 H GLY A 66 -2.296 2.630 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.421 4.546 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.690 4.558 -7.558 1.00 0.00 H new ATOM 935 N GLY A 67 -6.126 3.316 -7.600 1.00 0.00 N ATOM 936 CA GLY A 67 -7.149 2.397 -8.063 1.00 0.00 C ATOM 937 C GLY A 67 -7.949 1.799 -6.923 1.00 0.00 C ATOM 938 O GLY A 67 -8.467 0.687 -7.034 1.00 0.00 O ATOM 0 H GLY A 67 -6.391 4.301 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.823 2.920 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.681 1.595 -8.635 1.00 0.00 H new ATOM 942 N LEU A 68 -8.049 2.536 -5.822 1.00 0.00 N ATOM 943 CA LEU A 68 -8.791 2.071 -4.655 1.00 0.00 C ATOM 944 C LEU A 68 -10.114 2.816 -4.518 1.00 0.00 C ATOM 945 O LEU A 68 -10.398 3.742 -5.278 1.00 0.00 O ATOM 946 CB LEU A 68 -7.955 2.257 -3.387 1.00 0.00 C ATOM 947 CG LEU A 68 -6.525 1.717 -3.441 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.713 2.238 -2.266 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.530 0.195 -3.456 1.00 0.00 C ATOM 0 H LEU A 68 -7.626 3.458 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.005 1.011 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.912 3.322 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.474 1.773 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.059 2.068 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.699 1.843 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.681 3.327 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.177 1.918 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.504 -0.172 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.014 -0.176 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.075 -0.158 -4.331 1.00 0.00 H new ATOM 961 N SER A 69 -10.920 2.407 -3.543 1.00 0.00 N ATOM 962 CA SER A 69 -12.215 3.035 -3.308 1.00 0.00 C ATOM 963 C SER A 69 -12.115 4.092 -2.212 1.00 0.00 C ATOM 964 O SER A 69 -11.398 3.933 -1.224 1.00 0.00 O ATOM 965 CB SER A 69 -13.254 1.980 -2.922 1.00 0.00 C ATOM 966 OG SER A 69 -14.559 2.533 -2.903 1.00 0.00 O ATOM 0 H SER A 69 -10.699 1.644 -2.903 1.00 0.00 H new ATOM 0 HA SER A 69 -12.528 3.523 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.217 1.152 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.014 1.571 -1.940 1.00 0.00 H new ATOM 0 HG SER A 69 -14.911 2.573 -3.817 1.00 0.00 H new ATOM 972 N PRO A 70 -12.852 5.198 -2.390 1.00 0.00 N ATOM 973 CA PRO A 70 -12.865 6.304 -1.428 1.00 0.00 C ATOM 974 C PRO A 70 -13.563 5.930 -0.124 1.00 0.00 C ATOM 975 O PRO A 70 -14.552 5.198 -0.126 1.00 0.00 O ATOM 976 CB PRO A 70 -13.645 7.400 -2.157 1.00 0.00 C ATOM 977 CG PRO A 70 -14.512 6.669 -3.124 1.00 0.00 C ATOM 978 CD PRO A 70 -13.730 5.455 -3.544 1.00 0.00 C ATOM 0 HA PRO A 70 -11.858 6.602 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.240 7.992 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.974 8.089 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.457 6.384 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.753 7.295 -3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.384 4.607 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.156 5.641 -4.452 1.00 0.00 H new ATOM 986 N PHE A 71 -13.041 6.438 0.987 1.00 0.00 N ATOM 987 CA PHE A 71 -13.614 6.157 2.298 1.00 0.00 C ATOM 988 C PHE A 71 -13.569 4.662 2.603 1.00 0.00 C ATOM 989 O PHE A 71 -14.513 4.102 3.160 1.00 0.00 O ATOM 990 CB PHE A 71 -15.058 6.659 2.366 1.00 0.00 C ATOM 991 CG PHE A 71 -15.497 7.038 3.751 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.768 7.948 4.498 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.639 6.484 4.306 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.169 8.298 5.774 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.046 6.830 5.581 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.310 7.739 6.315 1.00 0.00 C ATOM 0 H PHE A 71 -12.222 7.046 1.006 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.019 6.681 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.165 7.523 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.722 5.884 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.876 8.389 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.218 5.773 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.591 9.008 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.938 6.390 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.626 8.012 7.311 1.00 0.00 H new ATOM 1006 N SER A 72 -12.465 4.022 2.232 1.00 0.00 N ATOM 1007 CA SER A 72 -12.297 2.591 2.460 1.00 0.00 C ATOM 1008 C SER A 72 -11.017 2.313 3.242 1.00 0.00 C ATOM 1009 O SER A 72 -10.151 3.178 3.363 1.00 0.00 O ATOM 1010 CB SER A 72 -12.268 1.841 1.127 1.00 0.00 C ATOM 1011 OG SER A 72 -11.084 2.129 0.405 1.00 0.00 O ATOM 0 H SER A 72 -11.673 4.471 1.772 1.00 0.00 H new ATOM 0 HA SER A 72 -13.145 2.239 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.335 0.768 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.137 2.119 0.531 1.00 0.00 H new ATOM 0 HG SER A 72 -11.135 3.038 0.042 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.907 1.098 3.770 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.733 0.705 4.541 1.00 0.00 C ATOM 1019 C GLU A 73 -8.991 -0.440 3.857 1.00 0.00 C ATOM 1020 O GLU A 73 -9.591 -1.451 3.489 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.140 0.290 5.956 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.051 0.510 6.993 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.585 0.499 8.412 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.674 1.068 8.640 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.916 -0.078 9.294 1.00 0.00 O ATOM 0 H GLU A 73 -11.615 0.370 3.678 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.065 1.564 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.027 0.851 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.417 -0.764 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.293 -0.266 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.559 1.464 6.801 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.684 -0.275 3.691 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.860 -1.292 3.049 1.00 0.00 C ATOM 1034 C TYR A 74 -5.593 -1.556 3.857 1.00 0.00 C ATOM 1035 O TYR A 74 -5.180 -0.732 4.672 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.492 -0.859 1.629 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.582 -1.121 0.614 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.725 -0.333 0.574 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.468 -2.157 -0.304 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.724 -0.569 -0.351 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.461 -2.400 -1.234 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.587 -1.603 -1.253 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.579 -1.843 -2.176 1.00 0.00 O ATOM 0 H TYR A 74 -7.172 0.554 3.992 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.438 -2.215 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.258 0.206 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.587 -1.383 1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.835 0.478 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.588 -2.783 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.607 0.053 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.356 -3.209 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.356 -2.644 -2.695 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.981 -2.713 3.623 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.760 -3.086 4.326 1.00 0.00 C ATOM 1055 C ALA A 75 -2.582 -3.189 3.363 1.00 0.00 C ATOM 1056 O ALA A 75 -2.547 -4.067 2.500 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.957 -4.402 5.064 1.00 0.00 C ATOM 0 H ALA A 75 -5.311 -3.407 2.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.535 -2.305 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.037 -4.668 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.766 -4.296 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.210 -5.186 4.350 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.619 -2.285 3.514 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.440 -2.273 2.657 1.00 0.00 C ATOM 1065 C PHE A 76 0.741 -2.952 3.346 1.00 0.00 C ATOM 1066 O PHE A 76 0.839 -2.955 4.573 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.070 -0.837 2.283 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.209 -0.060 1.687 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -2.152 0.546 2.501 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.336 0.065 0.313 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -3.202 1.260 1.956 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.384 0.779 -0.238 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.317 1.378 0.585 1.00 0.00 C ATOM 0 H PHE A 76 -1.633 -1.551 4.222 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.676 -2.828 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.286 -0.319 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.757 -0.857 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.065 0.459 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.608 -0.401 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.932 1.725 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.473 0.868 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.135 1.938 0.157 1.00 0.00 H new ATOM 1083 N ARG A 77 1.635 -3.525 2.547 1.00 0.00 N ATOM 1084 CA ARG A 77 2.808 -4.208 3.079 1.00 0.00 C ATOM 1085 C ARG A 77 3.941 -4.219 2.057 1.00 0.00 C ATOM 1086 O ARG A 77 3.729 -4.521 0.882 1.00 0.00 O ATOM 1087 CB ARG A 77 2.452 -5.642 3.477 1.00 0.00 C ATOM 1088 CG ARG A 77 2.098 -6.532 2.297 1.00 0.00 C ATOM 1089 CD ARG A 77 1.988 -7.991 2.713 1.00 0.00 C ATOM 1090 NE ARG A 77 0.641 -8.330 3.164 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.277 -9.553 3.535 1.00 0.00 C ATOM 1092 NH1 ARG A 77 1.155 -10.546 3.509 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.967 -9.783 3.934 1.00 0.00 N ATOM 0 H ARG A 77 1.569 -3.530 1.529 1.00 0.00 H new ATOM 0 HA ARG A 77 3.144 -3.665 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.294 -6.081 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.611 -5.620 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.153 -6.204 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.858 -6.430 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.261 -8.629 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.700 -8.195 3.512 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.058 -7.588 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.113 -10.372 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.873 -11.484 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.645 -9.021 3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.246 -10.722 4.219 1.00 0.00 H new ATOM 1107 N VAL A 78 5.144 -3.886 2.512 1.00 0.00 N ATOM 1108 CA VAL A 78 6.311 -3.858 1.638 1.00 0.00 C ATOM 1109 C VAL A 78 7.279 -4.986 1.977 1.00 0.00 C ATOM 1110 O VAL A 78 7.399 -5.389 3.134 1.00 0.00 O ATOM 1111 CB VAL A 78 7.054 -2.512 1.737 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.161 -2.435 0.697 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.081 -1.354 1.578 1.00 0.00 C ATOM 0 H VAL A 78 5.336 -3.632 3.481 1.00 0.00 H new ATOM 0 HA VAL A 78 5.947 -3.990 0.619 1.00 0.00 H new ATOM 0 HB VAL A 78 7.510 -2.441 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.674 -1.477 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.872 -3.244 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.731 -2.528 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.623 -0.411 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.594 -1.419 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.328 -1.401 2.364 1.00 0.00 H new ATOM 1123 N LEU A 79 7.968 -5.492 0.960 1.00 0.00 N ATOM 1124 CA LEU A 79 8.927 -6.575 1.149 1.00 0.00 C ATOM 1125 C LEU A 79 10.127 -6.407 0.222 1.00 0.00 C ATOM 1126 O LEU A 79 9.981 -6.007 -0.932 1.00 0.00 O ATOM 1127 CB LEU A 79 8.257 -7.926 0.895 1.00 0.00 C ATOM 1128 CG LEU A 79 7.849 -8.212 -0.550 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.705 -9.709 -0.778 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.552 -7.492 -0.891 1.00 0.00 C ATOM 0 H LEU A 79 7.880 -5.170 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 79 9.280 -6.540 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.937 -8.713 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.368 -7.992 1.522 1.00 0.00 H new ATOM 0 HG LEU A 79 8.633 -7.838 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.414 -9.893 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.656 -10.201 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.941 -10.107 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.277 -7.707 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.760 -7.835 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.689 -6.418 -0.768 1.00 0.00 H new ATOM 1142 N ALA A 80 11.313 -6.718 0.736 1.00 0.00 N ATOM 1143 CA ALA A 80 12.537 -6.607 -0.047 1.00 0.00 C ATOM 1144 C ALA A 80 12.696 -7.794 -0.991 1.00 0.00 C ATOM 1145 O ALA A 80 12.429 -8.936 -0.618 1.00 0.00 O ATOM 1146 CB ALA A 80 13.744 -6.497 0.873 1.00 0.00 C ATOM 0 H ALA A 80 11.451 -7.049 1.691 1.00 0.00 H new ATOM 0 HA ALA A 80 12.470 -5.702 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.651 -6.415 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.643 -5.613 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.804 -7.385 1.502 1.00 0.00 H new ATOM 1152 N VAL A 81 13.132 -7.516 -2.216 1.00 0.00 N ATOM 1153 CA VAL A 81 13.327 -8.561 -3.213 1.00 0.00 C ATOM 1154 C VAL A 81 14.692 -8.437 -3.881 1.00 0.00 C ATOM 1155 O VAL A 81 15.208 -7.335 -4.059 1.00 0.00 O ATOM 1156 CB VAL A 81 12.232 -8.515 -4.296 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.269 -9.775 -5.147 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.862 -8.331 -3.660 1.00 0.00 C ATOM 0 H VAL A 81 13.357 -6.576 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 81 13.269 -9.514 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 81 12.423 -7.661 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.489 -9.724 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.242 -9.858 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.103 -10.647 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.100 -8.301 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.659 -9.163 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.844 -7.397 -3.098 1.00 0.00 H new ATOM 1168 N ASN A 82 15.271 -9.575 -4.248 1.00 0.00 N ATOM 1169 CA ASN A 82 16.577 -9.594 -4.897 1.00 0.00 C ATOM 1170 C ASN A 82 16.743 -10.848 -5.750 1.00 0.00 C ATOM 1171 O ASN A 82 15.830 -11.668 -5.850 1.00 0.00 O ATOM 1172 CB ASN A 82 17.690 -9.525 -3.850 1.00 0.00 C ATOM 1173 CG ASN A 82 17.760 -10.777 -2.997 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.349 -11.856 -3.424 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.283 -10.638 -1.784 1.00 0.00 N ATOM 0 H ASN A 82 14.857 -10.496 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 82 16.644 -8.722 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.647 -9.376 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.528 -8.660 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.357 -11.445 -1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.611 -9.724 -1.472 1.00 0.00 H new ATOM 1182 N SER A 83 17.914 -10.989 -6.363 1.00 0.00 N ATOM 1183 CA SER A 83 18.199 -12.141 -7.210 1.00 0.00 C ATOM 1184 C SER A 83 17.869 -13.443 -6.486 1.00 0.00 C ATOM 1185 O SER A 83 17.478 -14.431 -7.109 1.00 0.00 O ATOM 1186 CB SER A 83 19.669 -12.138 -7.634 1.00 0.00 C ATOM 1187 OG SER A 83 19.968 -11.003 -8.428 1.00 0.00 O ATOM 0 H SER A 83 18.680 -10.320 -6.289 1.00 0.00 H new ATOM 0 HA SER A 83 17.572 -12.071 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.306 -12.145 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.891 -13.046 -8.194 1.00 0.00 H new ATOM 0 HG SER A 83 20.914 -11.023 -8.685 1.00 0.00 H new ATOM 1193 N ILE A 84 18.031 -13.436 -5.167 1.00 0.00 N ATOM 1194 CA ILE A 84 17.750 -14.616 -4.358 1.00 0.00 C ATOM 1195 C ILE A 84 16.252 -14.889 -4.287 1.00 0.00 C ATOM 1196 O ILE A 84 15.809 -16.026 -4.446 1.00 0.00 O ATOM 1197 CB ILE A 84 18.301 -14.461 -2.928 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.693 -13.828 -2.959 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.342 -15.811 -2.227 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.673 -14.569 -3.843 1.00 0.00 C ATOM 0 H ILE A 84 18.355 -12.627 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 84 18.247 -15.457 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 84 17.637 -13.803 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.608 -12.799 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.089 -13.789 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.734 -15.685 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.335 -16.225 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.987 -16.491 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.639 -14.065 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.787 -15.591 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.299 -14.585 -4.867 1.00 0.00 H new ATOM 1212 N GLY A 85 15.474 -13.838 -4.047 1.00 0.00 N ATOM 1213 CA GLY A 85 14.033 -13.985 -3.961 1.00 0.00 C ATOM 1214 C GLY A 85 13.393 -12.928 -3.083 1.00 0.00 C ATOM 1215 O GLY A 85 14.088 -12.171 -2.405 1.00 0.00 O ATOM 0 H GLY A 85 15.816 -12.887 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.605 -13.929 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.795 -14.973 -3.567 1.00 0.00 H new ATOM 1219 N ARG A 86 12.066 -12.875 -3.095 1.00 0.00 N ATOM 1220 CA ARG A 86 11.332 -11.900 -2.296 1.00 0.00 C ATOM 1221 C ARG A 86 11.225 -12.359 -0.844 1.00 0.00 C ATOM 1222 O ARG A 86 10.655 -13.410 -0.555 1.00 0.00 O ATOM 1223 CB ARG A 86 9.935 -11.680 -2.877 1.00 0.00 C ATOM 1224 CG ARG A 86 9.157 -12.967 -3.098 1.00 0.00 C ATOM 1225 CD ARG A 86 7.749 -12.688 -3.600 1.00 0.00 C ATOM 1226 NE ARG A 86 6.982 -13.916 -3.791 1.00 0.00 N ATOM 1227 CZ ARG A 86 5.659 -13.947 -3.900 1.00 0.00 C ATOM 1228 NH1 ARG A 86 4.959 -12.823 -3.839 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.033 -15.104 -4.072 1.00 0.00 N ATOM 0 H ARG A 86 11.476 -13.496 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 86 11.880 -10.958 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.369 -11.034 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.025 -11.152 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.684 -13.593 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.107 -13.528 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.232 -12.045 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.802 -12.143 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 86 7.491 -14.799 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.437 -11.931 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.943 -12.850 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.568 -15.971 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.017 -15.126 -4.156 1.00 0.00 H new ATOM 1243 N GLY A 87 11.777 -11.561 0.065 1.00 0.00 N ATOM 1244 CA GLY A 87 11.733 -11.902 1.475 1.00 0.00 C ATOM 1245 C GLY A 87 10.352 -11.717 2.074 1.00 0.00 C ATOM 1246 O GLY A 87 9.383 -11.422 1.374 1.00 0.00 O ATOM 0 H GLY A 87 12.254 -10.685 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.046 -12.938 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.447 -11.283 2.018 1.00 0.00 H new ATOM 1250 N PRO A 88 10.249 -11.893 3.399 1.00 0.00 N ATOM 1251 CA PRO A 88 8.981 -11.750 4.121 1.00 0.00 C ATOM 1252 C PRO A 88 8.507 -10.301 4.177 1.00 0.00 C ATOM 1253 O PRO A 88 9.304 -9.363 4.213 1.00 0.00 O ATOM 1254 CB PRO A 88 9.312 -12.260 5.525 1.00 0.00 C ATOM 1255 CG PRO A 88 10.780 -12.049 5.669 1.00 0.00 C ATOM 1256 CD PRO A 88 11.362 -12.246 4.296 1.00 0.00 C ATOM 0 HA PRO A 88 8.171 -12.295 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.757 -11.712 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.051 -13.312 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.996 -11.049 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.208 -12.756 6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.229 -11.606 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.691 -13.274 4.143 1.00 0.00 H new ATOM 1264 N PRO A 89 7.179 -10.112 4.188 1.00 0.00 N ATOM 1265 CA PRO A 89 6.570 -8.780 4.241 1.00 0.00 C ATOM 1266 C PRO A 89 6.775 -8.103 5.592 1.00 0.00 C ATOM 1267 O PRO A 89 7.081 -8.760 6.587 1.00 0.00 O ATOM 1268 CB PRO A 89 5.084 -9.060 4.004 1.00 0.00 C ATOM 1269 CG PRO A 89 4.886 -10.466 4.456 1.00 0.00 C ATOM 1270 CD PRO A 89 6.171 -11.185 4.148 1.00 0.00 C ATOM 0 HA PRO A 89 7.012 -8.100 3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.456 -8.371 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.822 -8.942 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.663 -10.505 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.046 -10.928 3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.382 -11.963 4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.137 -11.669 3.172 1.00 0.00 H new ATOM 1278 N SER A 90 6.604 -6.785 5.620 1.00 0.00 N ATOM 1279 CA SER A 90 6.773 -6.018 6.849 1.00 0.00 C ATOM 1280 C SER A 90 5.434 -5.812 7.550 1.00 0.00 C ATOM 1281 O SER A 90 4.375 -6.016 6.959 1.00 0.00 O ATOM 1282 CB SER A 90 7.417 -4.664 6.545 1.00 0.00 C ATOM 1283 OG SER A 90 7.425 -3.834 7.694 1.00 0.00 O ATOM 0 H SER A 90 6.349 -6.226 4.806 1.00 0.00 H new ATOM 0 HA SER A 90 7.427 -6.582 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.438 -4.814 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.872 -4.171 5.740 1.00 0.00 H new ATOM 0 HG SER A 90 8.327 -3.477 7.833 1.00 0.00 H new ATOM 1289 N GLU A 91 5.492 -5.406 8.815 1.00 0.00 N ATOM 1290 CA GLU A 91 4.284 -5.174 9.597 1.00 0.00 C ATOM 1291 C GLU A 91 3.194 -4.538 8.739 1.00 0.00 C ATOM 1292 O GLU A 91 3.256 -3.352 8.417 1.00 0.00 O ATOM 1293 CB GLU A 91 4.592 -4.276 10.797 1.00 0.00 C ATOM 1294 CG GLU A 91 5.309 -2.989 10.426 1.00 0.00 C ATOM 1295 CD GLU A 91 5.979 -2.331 11.617 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.354 -2.281 12.697 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.128 -1.865 11.469 1.00 0.00 O ATOM 0 H GLU A 91 6.361 -5.231 9.319 1.00 0.00 H new ATOM 0 HA GLU A 91 3.924 -6.138 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.659 -4.029 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.204 -4.831 11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.059 -3.202 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.595 -2.293 9.985 1.00 0.00 H new ATOM 1304 N ALA A 92 2.197 -5.336 8.372 1.00 0.00 N ATOM 1305 CA ALA A 92 1.092 -4.852 7.553 1.00 0.00 C ATOM 1306 C ALA A 92 0.436 -3.629 8.184 1.00 0.00 C ATOM 1307 O ALA A 92 0.022 -3.662 9.343 1.00 0.00 O ATOM 1308 CB ALA A 92 0.066 -5.956 7.346 1.00 0.00 C ATOM 0 H ALA A 92 2.132 -6.321 8.629 1.00 0.00 H new ATOM 0 HA ALA A 92 1.493 -4.557 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.753 -5.581 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.537 -6.801 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.322 -6.278 8.312 1.00 0.00 H new ATOM 1314 N VAL A 93 0.345 -2.549 7.414 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.261 -1.314 7.898 1.00 0.00 C ATOM 1316 C VAL A 93 -1.619 -1.077 7.246 1.00 0.00 C ATOM 1317 O VAL A 93 -1.804 -1.342 6.058 1.00 0.00 O ATOM 1318 CB VAL A 93 0.646 -0.099 7.626 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.064 -0.375 8.101 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.630 0.256 6.147 1.00 0.00 C ATOM 0 H VAL A 93 0.683 -2.504 6.453 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.392 -1.426 8.974 1.00 0.00 H new ATOM 0 HB VAL A 93 0.261 0.754 8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.690 0.494 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.056 -0.577 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.463 -1.240 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.276 1.116 5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.990 -0.592 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.388 0.499 5.842 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.566 -0.576 8.032 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.908 -0.303 7.532 1.00 0.00 C ATOM 1332 C ARG A 94 -4.150 1.199 7.413 1.00 0.00 C ATOM 1333 O ARG A 94 -4.086 1.928 8.402 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.956 -0.927 8.455 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.097 -2.431 8.288 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.418 -2.933 8.850 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.377 -4.361 9.151 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.446 -5.070 9.497 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.633 -4.486 9.585 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.329 -6.366 9.756 1.00 0.00 N ATOM 0 H ARG A 94 -2.429 -0.351 9.017 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.996 -0.747 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.693 -0.708 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.921 -0.457 8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.029 -2.689 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.272 -2.933 8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.661 -2.378 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.215 -2.736 8.133 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.479 -4.841 9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.727 -3.490 9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.452 -5.033 9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.418 -6.819 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.150 -6.909 10.022 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.425 1.654 6.195 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.677 3.068 5.947 1.00 0.00 C ATOM 1356 C ALA A 95 -6.034 3.276 5.282 1.00 0.00 C ATOM 1357 O ALA A 95 -6.354 2.625 4.288 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.570 3.659 5.087 1.00 0.00 C ATOM 0 H ALA A 95 -4.479 1.064 5.365 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.690 3.583 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.772 4.715 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.614 3.553 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.530 3.133 4.133 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.827 4.186 5.838 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.150 4.478 5.300 1.00 0.00 C ATOM 1366 C ARG A 96 -8.086 5.618 4.288 1.00 0.00 C ATOM 1367 O ARG A 96 -7.709 6.742 4.624 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.116 4.838 6.430 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.563 4.480 6.132 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.431 4.591 7.375 1.00 0.00 C ATOM 1371 NE ARG A 96 -12.685 3.855 7.234 1.00 0.00 N ATOM 1372 CZ ARG A 96 -13.581 3.737 8.208 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.363 4.303 9.386 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -14.698 3.051 8.003 1.00 0.00 N ATOM 0 H ARG A 96 -6.576 4.734 6.661 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.513 3.584 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.804 4.326 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.049 5.908 6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.950 5.141 5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.614 3.464 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.882 4.210 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.647 5.641 7.574 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.884 3.407 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.505 4.831 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.053 4.211 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.869 2.614 7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.386 2.961 8.751 1.00 0.00 H new ATOM 1388 N THR A 97 -8.456 5.322 3.046 1.00 0.00 N ATOM 1389 CA THR A 97 -8.440 6.321 1.985 1.00 0.00 C ATOM 1390 C THR A 97 -9.427 7.446 2.273 1.00 0.00 C ATOM 1391 O THR A 97 -10.423 7.248 2.968 1.00 0.00 O ATOM 1392 CB THR A 97 -8.776 5.695 0.618 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.118 5.194 0.626 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.810 4.568 0.287 1.00 0.00 C ATOM 0 H THR A 97 -8.771 4.398 2.750 1.00 0.00 H new ATOM 0 HA THR A 97 -7.430 6.729 1.951 1.00 0.00 H new ATOM 0 HB THR A 97 -8.682 6.468 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.393 4.981 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.067 4.141 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.793 4.959 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.877 3.795 1.053 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.145 8.628 1.733 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.020 9.767 1.943 1.00 0.00 C ATOM 1404 C GLY A 98 -11.357 9.608 1.248 1.00 0.00 C ATOM 1405 O GLY A 98 -11.524 8.727 0.405 1.00 0.00 O ATOM 0 H GLY A 98 -8.327 8.817 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.184 9.903 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.530 10.670 1.578 1.00 0.00 H new