USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 23 SER OG : rot 180:sc= -0.661 USER MOD Single : A 25 SER OG : rot 8:sc= 0.786 USER MOD Single : A 35 SER OG : rot -37:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.542 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= -0.0128 (180deg=-0.0337) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.0947 USER MOD Single : A 46 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -92:sc= 0.0517 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0157 K(o=-0.016,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 100:sc= 0.923 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.09 F(o=-5.6,f=-2.1) USER MOD Single : A 85 SER OG : rot 180:sc= -0.123 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 96 HIS : no HE2:sc= -0.315 K(o=-0.31,f=-0.89) USER MOD Single : A 97 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-1.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.984 7.203 5.534 1.00 0.00 N ATOM 67 CA PRO A 8 13.985 7.230 4.068 1.00 0.00 C ATOM 68 C PRO A 8 12.870 8.105 3.504 1.00 0.00 C ATOM 69 O PRO A 8 11.907 8.445 4.191 1.00 0.00 O ATOM 70 CB PRO A 8 13.760 5.765 3.686 1.00 0.00 C ATOM 71 CG PRO A 8 13.048 5.174 4.853 1.00 0.00 C ATOM 72 CD PRO A 8 13.572 5.893 6.066 1.00 0.00 C ATOM 0 HA PRO A 8 14.907 7.652 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.166 5.680 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.705 5.255 3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.970 5.303 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.236 4.103 4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.806 5.994 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.409 5.361 6.518 1.00 0.00 H new ATOM 80 N PRO A 9 13.000 8.477 2.222 1.00 0.00 N ATOM 81 CA PRO A 9 12.013 9.316 1.537 1.00 0.00 C ATOM 82 C PRO A 9 10.699 8.582 1.292 1.00 0.00 C ATOM 83 O PRO A 9 10.691 7.393 0.973 1.00 0.00 O ATOM 84 CB PRO A 9 12.694 9.652 0.207 1.00 0.00 C ATOM 85 CG PRO A 9 13.651 8.534 -0.021 1.00 0.00 C ATOM 86 CD PRO A 9 14.122 8.107 1.342 1.00 0.00 C ATOM 0 HA PRO A 9 11.744 10.192 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.968 9.723 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.210 10.611 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.169 7.708 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.488 8.857 -0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.326 7.037 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.042 8.617 1.627 1.00 0.00 H new ATOM 94 N ALA A 10 9.589 9.297 1.442 1.00 0.00 N ATOM 95 CA ALA A 10 8.270 8.714 1.235 1.00 0.00 C ATOM 96 C ALA A 10 8.223 7.909 -0.060 1.00 0.00 C ATOM 97 O ALA A 10 8.746 8.338 -1.089 1.00 0.00 O ATOM 98 CB ALA A 10 7.207 9.803 1.220 1.00 0.00 C ATOM 0 H ALA A 10 9.578 10.282 1.706 1.00 0.00 H new ATOM 0 HA ALA A 10 8.067 8.035 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.227 9.352 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.216 10.333 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.416 10.505 0.412 1.00 0.00 H new ATOM 104 N VAL A 11 7.593 6.740 -0.002 1.00 0.00 N ATOM 105 CA VAL A 11 7.477 5.876 -1.170 1.00 0.00 C ATOM 106 C VAL A 11 6.653 6.541 -2.267 1.00 0.00 C ATOM 107 O VAL A 11 5.458 6.784 -2.099 1.00 0.00 O ATOM 108 CB VAL A 11 6.833 4.525 -0.807 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.029 3.520 -1.932 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.407 3.995 0.498 1.00 0.00 C ATOM 0 H VAL A 11 7.155 6.370 0.842 1.00 0.00 H new ATOM 0 HA VAL A 11 8.489 5.701 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 11 5.762 4.678 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.567 2.572 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.566 3.899 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.095 3.369 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.941 3.040 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.483 3.857 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.209 4.708 1.299 1.00 0.00 H new ATOM 120 N SER A 12 7.300 6.832 -3.391 1.00 0.00 N ATOM 121 CA SER A 12 6.627 7.473 -4.515 1.00 0.00 C ATOM 122 C SER A 12 6.567 6.536 -5.718 1.00 0.00 C ATOM 123 O SER A 12 7.081 5.418 -5.674 1.00 0.00 O ATOM 124 CB SER A 12 7.349 8.766 -4.899 1.00 0.00 C ATOM 125 OG SER A 12 8.583 8.492 -5.538 1.00 0.00 O ATOM 0 H SER A 12 8.288 6.634 -3.548 1.00 0.00 H new ATOM 0 HA SER A 12 5.608 7.710 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.716 9.356 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.524 9.367 -4.007 1.00 0.00 H new ATOM 0 HG SER A 12 9.023 9.335 -5.774 1.00 0.00 H new ATOM 131 N ASP A 13 5.936 7.000 -6.790 1.00 0.00 N ATOM 132 CA ASP A 13 5.808 6.205 -8.006 1.00 0.00 C ATOM 133 C ASP A 13 5.350 4.786 -7.682 1.00 0.00 C ATOM 134 O ASP A 13 5.999 3.812 -8.063 1.00 0.00 O ATOM 135 CB ASP A 13 7.140 6.165 -8.757 1.00 0.00 C ATOM 136 CG ASP A 13 7.316 7.348 -9.688 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.850 8.383 -9.238 1.00 0.00 O ATOM 138 OD2 ASP A 13 6.918 7.240 -10.867 1.00 0.00 O ATOM 0 H ASP A 13 5.505 7.923 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 13 5.056 6.674 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.959 6.148 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.202 5.241 -9.332 1.00 0.00 H new ATOM 143 N ILE A 14 4.229 4.679 -6.977 1.00 0.00 N ATOM 144 CA ILE A 14 3.684 3.380 -6.602 1.00 0.00 C ATOM 145 C ILE A 14 2.731 2.855 -7.670 1.00 0.00 C ATOM 146 O ILE A 14 1.552 3.208 -7.693 1.00 0.00 O ATOM 147 CB ILE A 14 2.940 3.449 -5.255 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.869 3.978 -4.161 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.397 2.078 -4.880 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.142 4.406 -2.906 1.00 0.00 C ATOM 0 H ILE A 14 3.680 5.476 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 14 4.529 2.699 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 14 2.100 4.136 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.594 3.205 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.432 4.826 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.874 2.142 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.706 1.737 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.222 1.371 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.863 4.770 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.437 5.201 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.601 3.556 -2.491 1.00 0.00 H new ATOM 162 N ARG A 15 3.250 2.008 -8.553 1.00 0.00 N ATOM 163 CA ARG A 15 2.445 1.432 -9.624 1.00 0.00 C ATOM 164 C ARG A 15 1.789 0.131 -9.172 1.00 0.00 C ATOM 165 O ARG A 15 2.216 -0.485 -8.196 1.00 0.00 O ATOM 166 CB ARG A 15 3.309 1.178 -10.861 1.00 0.00 C ATOM 167 CG ARG A 15 4.381 0.122 -10.648 1.00 0.00 C ATOM 168 CD ARG A 15 4.942 -0.377 -11.970 1.00 0.00 C ATOM 169 NE ARG A 15 5.612 0.685 -12.716 1.00 0.00 N ATOM 170 CZ ARG A 15 6.062 0.540 -13.957 1.00 0.00 C ATOM 171 NH1 ARG A 15 5.915 -0.617 -14.588 1.00 0.00 N ATOM 172 NH2 ARG A 15 6.661 1.553 -14.570 1.00 0.00 N ATOM 0 H ARG A 15 4.224 1.705 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 15 1.660 2.145 -9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.666 0.870 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.785 2.112 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.187 0.537 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.962 -0.715 -10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.646 -1.188 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.134 -0.790 -12.574 1.00 0.00 H new ATOM 0 HE ARG A 15 5.741 1.588 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.455 -1.398 -14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.262 -0.726 -15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.776 2.445 -14.088 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.006 1.440 -15.523 1.00 0.00 H new ATOM 186 N VAL A 16 0.749 -0.282 -9.890 1.00 0.00 N ATOM 187 CA VAL A 16 0.034 -1.510 -9.564 1.00 0.00 C ATOM 188 C VAL A 16 0.210 -2.556 -10.659 1.00 0.00 C ATOM 189 O VAL A 16 -0.072 -2.299 -11.830 1.00 0.00 O ATOM 190 CB VAL A 16 -1.469 -1.247 -9.357 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.196 -2.539 -9.015 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.683 -0.202 -8.272 1.00 0.00 C ATOM 0 H VAL A 16 0.383 0.216 -10.701 1.00 0.00 H new ATOM 0 HA VAL A 16 0.460 -1.887 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.883 -0.861 -10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.257 -2.333 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.071 -3.253 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.781 -2.958 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.751 -0.029 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.254 -0.557 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.198 0.730 -8.563 1.00 0.00 H new ATOM 202 N THR A 17 0.678 -3.739 -10.271 1.00 0.00 N ATOM 203 CA THR A 17 0.892 -4.824 -11.220 1.00 0.00 C ATOM 204 C THR A 17 -0.137 -5.932 -11.029 1.00 0.00 C ATOM 205 O THR A 17 -0.872 -5.946 -10.042 1.00 0.00 O ATOM 206 CB THR A 17 2.305 -5.421 -11.081 1.00 0.00 C ATOM 207 OG1 THR A 17 2.526 -6.401 -12.102 1.00 0.00 O ATOM 208 CG2 THR A 17 2.491 -6.058 -9.711 1.00 0.00 C ATOM 0 H THR A 17 0.916 -3.969 -9.306 1.00 0.00 H new ATOM 0 HA THR A 17 0.782 -4.398 -12.217 1.00 0.00 H new ATOM 0 HB THR A 17 3.029 -4.613 -11.190 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.427 -6.774 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.496 -6.473 -9.636 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.351 -5.303 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.759 -6.855 -9.578 1.00 0.00 H new ATOM 216 N ARG A 18 -0.184 -6.860 -11.979 1.00 0.00 N ATOM 217 CA ARG A 18 -1.124 -7.973 -11.915 1.00 0.00 C ATOM 218 C ARG A 18 -2.472 -7.514 -11.368 1.00 0.00 C ATOM 219 O ARG A 18 -3.016 -8.118 -10.444 1.00 0.00 O ATOM 220 CB ARG A 18 -0.561 -9.094 -11.040 1.00 0.00 C ATOM 221 CG ARG A 18 0.383 -10.029 -11.779 1.00 0.00 C ATOM 222 CD ARG A 18 -0.380 -11.059 -12.597 1.00 0.00 C ATOM 223 NE ARG A 18 -0.718 -12.242 -11.810 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.449 -13.249 -12.274 1.00 0.00 C ATOM 225 NH1 ARG A 18 -1.917 -13.217 -13.514 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.713 -14.292 -11.497 1.00 0.00 N ATOM 0 H ARG A 18 0.418 -6.863 -12.802 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.271 -8.351 -12.927 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.033 -8.653 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.388 -9.675 -10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.031 -9.449 -12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.028 -10.537 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.294 -10.609 -12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.220 -11.355 -13.457 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.374 -12.298 -10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.716 -12.417 -14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.478 -13.992 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.354 -14.321 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.275 -15.065 -11.854 1.00 0.00 H new ATOM 240 N SER A 19 -3.006 -6.443 -11.946 1.00 0.00 N ATOM 241 CA SER A 19 -4.289 -5.901 -11.514 1.00 0.00 C ATOM 242 C SER A 19 -5.395 -6.941 -11.661 1.00 0.00 C ATOM 243 O SER A 19 -5.425 -7.699 -12.630 1.00 0.00 O ATOM 244 CB SER A 19 -4.637 -4.651 -12.325 1.00 0.00 C ATOM 245 OG SER A 19 -3.477 -3.887 -12.608 1.00 0.00 O ATOM 0 H SER A 19 -2.570 -5.933 -12.715 1.00 0.00 H new ATOM 0 HA SER A 19 -4.206 -5.631 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.121 -4.942 -13.257 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.351 -4.042 -11.771 1.00 0.00 H new ATOM 0 HG SER A 19 -3.726 -3.095 -13.128 1.00 0.00 H new ATOM 251 N SER A 20 -6.304 -6.969 -10.692 1.00 0.00 N ATOM 252 CA SER A 20 -7.412 -7.918 -10.710 1.00 0.00 C ATOM 253 C SER A 20 -8.697 -7.263 -10.213 1.00 0.00 C ATOM 254 O SER A 20 -8.677 -6.320 -9.421 1.00 0.00 O ATOM 255 CB SER A 20 -7.081 -9.137 -9.846 1.00 0.00 C ATOM 256 OG SER A 20 -6.021 -9.889 -10.411 1.00 0.00 O ATOM 0 H SER A 20 -6.296 -6.346 -9.885 1.00 0.00 H new ATOM 0 HA SER A 20 -7.564 -8.241 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.806 -8.812 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.965 -9.767 -9.746 1.00 0.00 H new ATOM 0 HG SER A 20 -5.827 -10.661 -9.840 1.00 0.00 H new ATOM 262 N PRO A 21 -9.842 -7.773 -10.688 1.00 0.00 N ATOM 263 CA PRO A 21 -11.159 -7.254 -10.306 1.00 0.00 C ATOM 264 C PRO A 21 -11.507 -7.568 -8.855 1.00 0.00 C ATOM 265 O PRO A 21 -12.580 -7.205 -8.372 1.00 0.00 O ATOM 266 CB PRO A 21 -12.115 -7.981 -11.255 1.00 0.00 C ATOM 267 CG PRO A 21 -11.405 -9.239 -11.619 1.00 0.00 C ATOM 268 CD PRO A 21 -9.940 -8.897 -11.635 1.00 0.00 C ATOM 0 HA PRO A 21 -11.207 -6.168 -10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.069 -8.191 -10.771 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.331 -7.379 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.614 -10.028 -10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.731 -9.604 -12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.327 -9.742 -11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.605 -8.613 -12.632 1.00 0.00 H new ATOM 276 N SER A 22 -10.594 -8.243 -8.165 1.00 0.00 N ATOM 277 CA SER A 22 -10.806 -8.608 -6.769 1.00 0.00 C ATOM 278 C SER A 22 -9.570 -8.296 -5.932 1.00 0.00 C ATOM 279 O SER A 22 -9.663 -7.665 -4.879 1.00 0.00 O ATOM 280 CB SER A 22 -11.151 -10.095 -6.656 1.00 0.00 C ATOM 281 OG SER A 22 -10.165 -10.896 -7.284 1.00 0.00 O ATOM 0 H SER A 22 -9.700 -8.548 -8.550 1.00 0.00 H new ATOM 0 HA SER A 22 -11.640 -8.018 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.235 -10.373 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.122 -10.282 -7.114 1.00 0.00 H new ATOM 0 HG SER A 22 -10.407 -11.842 -7.197 1.00 0.00 H new ATOM 287 N SER A 23 -8.412 -8.742 -6.408 1.00 0.00 N ATOM 288 CA SER A 23 -7.156 -8.514 -5.702 1.00 0.00 C ATOM 289 C SER A 23 -6.425 -7.302 -6.272 1.00 0.00 C ATOM 290 O SER A 23 -6.613 -6.939 -7.435 1.00 0.00 O ATOM 291 CB SER A 23 -6.263 -9.752 -5.794 1.00 0.00 C ATOM 292 OG SER A 23 -6.133 -10.189 -7.136 1.00 0.00 O ATOM 0 H SER A 23 -8.317 -9.263 -7.280 1.00 0.00 H new ATOM 0 HA SER A 23 -7.387 -8.318 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.278 -9.525 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.683 -10.553 -5.186 1.00 0.00 H new ATOM 0 HG SER A 23 -5.556 -10.981 -7.168 1.00 0.00 H new ATOM 298 N LEU A 24 -5.591 -6.680 -5.447 1.00 0.00 N ATOM 299 CA LEU A 24 -4.830 -5.509 -5.867 1.00 0.00 C ATOM 300 C LEU A 24 -3.374 -5.617 -5.424 1.00 0.00 C ATOM 301 O LEU A 24 -3.067 -5.510 -4.237 1.00 0.00 O ATOM 302 CB LEU A 24 -5.456 -4.236 -5.293 1.00 0.00 C ATOM 303 CG LEU A 24 -6.655 -3.674 -6.057 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.365 -2.613 -5.231 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.213 -3.103 -7.397 1.00 0.00 C ATOM 0 H LEU A 24 -5.424 -6.967 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.857 -5.461 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.766 -4.438 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.686 -3.466 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.356 -4.487 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.216 -2.225 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.716 -3.053 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.673 -1.800 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.079 -2.707 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.492 -2.302 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.751 -3.890 -7.993 1.00 0.00 H new ATOM 317 N SER A 25 -2.482 -5.829 -6.386 1.00 0.00 N ATOM 318 CA SER A 25 -1.059 -5.953 -6.096 1.00 0.00 C ATOM 319 C SER A 25 -0.364 -4.599 -6.195 1.00 0.00 C ATOM 320 O SER A 25 -0.472 -3.905 -7.208 1.00 0.00 O ATOM 321 CB SER A 25 -0.405 -6.947 -7.058 1.00 0.00 C ATOM 322 OG SER A 25 0.796 -7.466 -6.516 1.00 0.00 O ATOM 0 H SER A 25 -2.720 -5.919 -7.374 1.00 0.00 H new ATOM 0 HA SER A 25 -0.953 -6.322 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.096 -7.764 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.196 -6.455 -8.008 1.00 0.00 H new ATOM 0 HG SER A 25 0.889 -7.172 -5.586 1.00 0.00 H new ATOM 328 N LEU A 26 0.351 -4.229 -5.139 1.00 0.00 N ATOM 329 CA LEU A 26 1.065 -2.957 -5.105 1.00 0.00 C ATOM 330 C LEU A 26 2.555 -3.162 -5.361 1.00 0.00 C ATOM 331 O LEU A 26 3.097 -4.236 -5.102 1.00 0.00 O ATOM 332 CB LEU A 26 0.858 -2.269 -3.755 1.00 0.00 C ATOM 333 CG LEU A 26 -0.590 -1.966 -3.370 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.683 -1.575 -1.904 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.158 -0.866 -4.255 1.00 0.00 C ATOM 0 H LEU A 26 0.452 -4.792 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 26 0.663 -2.322 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.295 -2.897 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.415 -1.332 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.182 -2.869 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.721 -1.363 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.317 -2.394 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.077 -0.687 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.189 -0.663 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.563 0.040 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.128 -1.185 -5.297 1.00 0.00 H new ATOM 347 N ALA A 27 3.211 -2.125 -5.870 1.00 0.00 N ATOM 348 CA ALA A 27 4.638 -2.190 -6.157 1.00 0.00 C ATOM 349 C ALA A 27 5.235 -0.793 -6.292 1.00 0.00 C ATOM 350 O ALA A 27 4.752 0.026 -7.073 1.00 0.00 O ATOM 351 CB ALA A 27 4.886 -2.996 -7.424 1.00 0.00 C ATOM 0 H ALA A 27 2.777 -1.229 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 27 5.129 -2.688 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.956 -3.036 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.503 -4.008 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.376 -2.522 -8.263 1.00 0.00 H new ATOM 357 N TRP A 28 6.288 -0.529 -5.526 1.00 0.00 N ATOM 358 CA TRP A 28 6.950 0.770 -5.560 1.00 0.00 C ATOM 359 C TRP A 28 8.353 0.651 -6.146 1.00 0.00 C ATOM 360 O TRP A 28 8.866 -0.452 -6.331 1.00 0.00 O ATOM 361 CB TRP A 28 7.021 1.367 -4.153 1.00 0.00 C ATOM 362 CG TRP A 28 7.098 0.331 -3.072 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.126 0.140 -2.192 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.110 -0.656 -2.759 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.835 -0.907 -1.351 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.604 -1.412 -1.677 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.855 -0.975 -3.285 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.887 -2.464 -1.115 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.145 -2.020 -2.726 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.661 -2.754 -1.650 1.00 0.00 C ATOM 0 H TRP A 28 6.701 -1.196 -4.875 1.00 0.00 H new ATOM 0 HA TRP A 28 6.364 1.431 -6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.893 2.018 -4.086 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.143 1.992 -3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.033 0.725 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.438 -1.252 -0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.448 -0.415 -4.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.284 -3.031 -0.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.175 -2.276 -3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.080 -3.564 -1.235 1.00 0.00 H new ATOM 381 N ALA A 29 8.967 1.793 -6.435 1.00 0.00 N ATOM 382 CA ALA A 29 10.312 1.816 -6.998 1.00 0.00 C ATOM 383 C ALA A 29 11.353 2.106 -5.922 1.00 0.00 C ATOM 384 O ALA A 29 11.342 3.171 -5.305 1.00 0.00 O ATOM 385 CB ALA A 29 10.400 2.848 -8.113 1.00 0.00 C ATOM 0 H ALA A 29 8.555 2.715 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 29 10.522 0.830 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.409 2.854 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.689 2.595 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.164 3.835 -7.715 1.00 0.00 H new ATOM 391 N VAL A 30 12.250 1.151 -5.701 1.00 0.00 N ATOM 392 CA VAL A 30 13.299 1.304 -4.699 1.00 0.00 C ATOM 393 C VAL A 30 13.813 2.738 -4.657 1.00 0.00 C ATOM 394 O VAL A 30 14.637 3.153 -5.473 1.00 0.00 O ATOM 395 CB VAL A 30 14.480 0.354 -4.973 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.577 0.554 -3.939 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.008 -1.092 -4.991 1.00 0.00 C ATOM 0 H VAL A 30 12.272 0.263 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 30 12.856 1.052 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 30 14.893 0.589 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.403 -0.126 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.934 1.583 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.181 0.348 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.856 -1.749 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.569 -1.343 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.261 -1.221 -5.774 1.00 0.00 H new ATOM 407 N PRO A 31 13.317 3.516 -3.684 1.00 0.00 N ATOM 408 CA PRO A 31 13.713 4.917 -3.511 1.00 0.00 C ATOM 409 C PRO A 31 15.151 5.057 -3.024 1.00 0.00 C ATOM 410 O PRO A 31 15.753 4.093 -2.550 1.00 0.00 O ATOM 411 CB PRO A 31 12.737 5.433 -2.450 1.00 0.00 C ATOM 412 CG PRO A 31 12.331 4.220 -1.687 1.00 0.00 C ATOM 413 CD PRO A 31 12.331 3.088 -2.677 1.00 0.00 C ATOM 0 HA PRO A 31 13.676 5.470 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.211 6.169 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.876 5.920 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.024 4.023 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.344 4.350 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.617 2.146 -2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.345 2.939 -3.118 1.00 0.00 H new ATOM 421 N ARG A 32 15.697 6.263 -3.143 1.00 0.00 N ATOM 422 CA ARG A 32 17.065 6.528 -2.715 1.00 0.00 C ATOM 423 C ARG A 32 17.109 6.911 -1.239 1.00 0.00 C ATOM 424 O ARG A 32 16.403 7.819 -0.802 1.00 0.00 O ATOM 425 CB ARG A 32 17.679 7.645 -3.561 1.00 0.00 C ATOM 426 CG ARG A 32 19.035 8.113 -3.060 1.00 0.00 C ATOM 427 CD ARG A 32 20.161 7.260 -3.623 1.00 0.00 C ATOM 428 NE ARG A 32 20.250 7.360 -5.077 1.00 0.00 N ATOM 429 CZ ARG A 32 21.274 6.897 -5.785 1.00 0.00 C ATOM 430 NH1 ARG A 32 22.292 6.306 -5.175 1.00 0.00 N ATOM 431 NH2 ARG A 32 21.282 7.026 -7.106 1.00 0.00 N ATOM 0 H ARG A 32 15.213 7.072 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 32 17.645 5.616 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.781 7.296 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.995 8.494 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.189 9.154 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.056 8.072 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 32 21.107 7.571 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.003 6.219 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 32 19.483 7.810 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 32 22.290 6.206 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 32 23.077 5.951 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.501 7.481 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 32 22.069 6.670 -7.648 1.00 0.00 H new ATOM 445 N ALA A 33 17.942 6.211 -0.476 1.00 0.00 N ATOM 446 CA ALA A 33 18.079 6.478 0.950 1.00 0.00 C ATOM 447 C ALA A 33 19.538 6.400 1.386 1.00 0.00 C ATOM 448 O ALA A 33 20.362 5.729 0.763 1.00 0.00 O ATOM 449 CB ALA A 33 17.234 5.501 1.754 1.00 0.00 C ATOM 0 H ALA A 33 18.532 5.454 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 33 17.724 7.491 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.346 5.712 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.187 5.608 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.563 4.482 1.550 1.00 0.00 H new ATOM 455 N PRO A 34 19.869 7.102 2.480 1.00 0.00 N ATOM 456 CA PRO A 34 21.230 7.128 3.023 1.00 0.00 C ATOM 457 C PRO A 34 21.635 5.793 3.638 1.00 0.00 C ATOM 458 O PRO A 34 22.819 5.467 3.713 1.00 0.00 O ATOM 459 CB PRO A 34 21.162 8.214 4.100 1.00 0.00 C ATOM 460 CG PRO A 34 19.729 8.253 4.507 1.00 0.00 C ATOM 461 CD PRO A 34 18.938 7.924 3.272 1.00 0.00 C ATOM 0 HA PRO A 34 21.973 7.321 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.807 7.975 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.490 9.178 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.529 7.534 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.460 9.236 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.025 7.379 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.639 8.824 2.734 1.00 0.00 H new ATOM 469 N SER A 35 20.643 5.023 4.076 1.00 0.00 N ATOM 470 CA SER A 35 20.897 3.724 4.687 1.00 0.00 C ATOM 471 C SER A 35 21.223 2.679 3.626 1.00 0.00 C ATOM 472 O SER A 35 20.658 2.689 2.533 1.00 0.00 O ATOM 473 CB SER A 35 19.683 3.276 5.505 1.00 0.00 C ATOM 474 OG SER A 35 20.074 2.441 6.581 1.00 0.00 O ATOM 0 H SER A 35 19.657 5.277 4.019 1.00 0.00 H new ATOM 0 HA SER A 35 21.757 3.823 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.158 4.150 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.984 2.742 4.862 1.00 0.00 H new ATOM 0 HG SER A 35 20.812 1.863 6.295 1.00 0.00 H new ATOM 480 N GLY A 36 22.141 1.775 3.956 1.00 0.00 N ATOM 481 CA GLY A 36 22.529 0.735 3.021 1.00 0.00 C ATOM 482 C GLY A 36 21.356 0.217 2.212 1.00 0.00 C ATOM 483 O GLY A 36 21.341 0.328 0.987 1.00 0.00 O ATOM 0 H GLY A 36 22.623 1.745 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.290 1.124 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.982 -0.091 3.569 1.00 0.00 H new ATOM 487 N ALA A 37 20.372 -0.354 2.899 1.00 0.00 N ATOM 488 CA ALA A 37 19.190 -0.891 2.236 1.00 0.00 C ATOM 489 C ALA A 37 17.919 -0.515 2.990 1.00 0.00 C ATOM 490 O ALA A 37 17.942 -0.312 4.205 1.00 0.00 O ATOM 491 CB ALA A 37 19.300 -2.403 2.105 1.00 0.00 C ATOM 0 H ALA A 37 20.370 -0.457 3.914 1.00 0.00 H new ATOM 0 HA ALA A 37 19.133 -0.454 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.411 -2.791 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.183 -2.654 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.385 -2.849 3.096 1.00 0.00 H new ATOM 497 N VAL A 38 16.810 -0.422 2.263 1.00 0.00 N ATOM 498 CA VAL A 38 15.529 -0.070 2.863 1.00 0.00 C ATOM 499 C VAL A 38 14.914 -1.263 3.586 1.00 0.00 C ATOM 500 O VAL A 38 14.609 -2.286 2.970 1.00 0.00 O ATOM 501 CB VAL A 38 14.535 0.444 1.805 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.190 0.756 2.442 1.00 0.00 C ATOM 503 CG2 VAL A 38 15.096 1.667 1.097 1.00 0.00 C ATOM 0 H VAL A 38 16.773 -0.586 1.257 1.00 0.00 H new ATOM 0 HA VAL A 38 15.725 0.725 3.582 1.00 0.00 H new ATOM 0 HB VAL A 38 14.384 -0.340 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.501 1.118 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.785 -0.148 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.319 1.522 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.380 2.017 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.278 2.457 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.032 1.405 0.605 1.00 0.00 H new ATOM 513 N LEU A 39 14.734 -1.127 4.895 1.00 0.00 N ATOM 514 CA LEU A 39 14.154 -2.194 5.703 1.00 0.00 C ATOM 515 C LEU A 39 12.727 -2.500 5.258 1.00 0.00 C ATOM 516 O LEU A 39 12.223 -1.905 4.306 1.00 0.00 O ATOM 517 CB LEU A 39 14.167 -1.805 7.182 1.00 0.00 C ATOM 518 CG LEU A 39 15.538 -1.794 7.861 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.483 -1.005 9.160 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.018 -3.215 8.117 1.00 0.00 C ATOM 0 H LEU A 39 14.981 -0.288 5.420 1.00 0.00 H new ATOM 0 HA LEU A 39 14.758 -3.091 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.727 -0.812 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.521 -2.495 7.724 1.00 0.00 H new ATOM 0 HG LEU A 39 16.249 -1.307 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.467 -1.008 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.184 0.022 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.758 -1.463 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 39 16.995 -3.188 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.307 -3.728 8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.097 -3.749 7.170 1.00 0.00 H new ATOM 532 N ASP A 40 12.082 -3.428 5.955 1.00 0.00 N ATOM 533 CA ASP A 40 10.712 -3.811 5.635 1.00 0.00 C ATOM 534 C ASP A 40 9.853 -2.579 5.364 1.00 0.00 C ATOM 535 O ASP A 40 10.168 -1.479 5.818 1.00 0.00 O ATOM 536 CB ASP A 40 10.107 -4.628 6.778 1.00 0.00 C ATOM 537 CG ASP A 40 11.149 -5.437 7.525 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.083 -5.948 6.872 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.030 -5.561 8.762 1.00 0.00 O ATOM 0 H ASP A 40 12.486 -3.930 6.746 1.00 0.00 H new ATOM 0 HA ASP A 40 10.733 -4.423 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.604 -3.957 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.347 -5.300 6.378 1.00 0.00 H new ATOM 544 N TYR A 41 8.769 -2.772 4.622 1.00 0.00 N ATOM 545 CA TYR A 41 7.866 -1.677 4.288 1.00 0.00 C ATOM 546 C TYR A 41 6.523 -1.843 4.992 1.00 0.00 C ATOM 547 O TYR A 41 6.165 -2.942 5.416 1.00 0.00 O ATOM 548 CB TYR A 41 7.656 -1.605 2.775 1.00 0.00 C ATOM 549 CG TYR A 41 8.933 -1.380 1.996 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.953 -2.324 2.008 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.120 -0.223 1.249 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.121 -2.122 1.299 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.284 -0.014 0.536 1.00 0.00 C ATOM 554 CZ TYR A 41 11.282 -0.966 0.564 1.00 0.00 C ATOM 555 OH TYR A 41 12.444 -0.761 -0.144 1.00 0.00 O ATOM 0 H TYR A 41 8.494 -3.677 4.240 1.00 0.00 H new ATOM 0 HA TYR A 41 8.322 -0.748 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.192 -2.532 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.957 -0.799 2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.830 -3.231 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.342 0.525 1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.904 -2.865 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.412 0.890 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 41 12.397 0.101 -0.608 1.00 0.00 H new ATOM 565 N GLU A 42 5.785 -0.744 5.111 1.00 0.00 N ATOM 566 CA GLU A 42 4.481 -0.768 5.763 1.00 0.00 C ATOM 567 C GLU A 42 3.382 -0.326 4.801 1.00 0.00 C ATOM 568 O GLU A 42 3.467 0.742 4.193 1.00 0.00 O ATOM 569 CB GLU A 42 4.487 0.136 6.998 1.00 0.00 C ATOM 570 CG GLU A 42 3.361 -0.160 7.974 1.00 0.00 C ATOM 571 CD GLU A 42 2.103 0.631 7.672 1.00 0.00 C ATOM 572 OE1 GLU A 42 1.506 0.407 6.598 1.00 0.00 O ATOM 573 OE2 GLU A 42 1.716 1.474 8.508 1.00 0.00 O ATOM 0 H GLU A 42 6.067 0.173 4.765 1.00 0.00 H new ATOM 0 HA GLU A 42 4.277 -1.793 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.441 0.027 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.415 1.175 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.131 -1.225 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.694 0.067 8.987 1.00 0.00 H new ATOM 580 N VAL A 43 2.352 -1.155 4.666 1.00 0.00 N ATOM 581 CA VAL A 43 1.236 -0.850 3.779 1.00 0.00 C ATOM 582 C VAL A 43 -0.052 -0.640 4.567 1.00 0.00 C ATOM 583 O VAL A 43 -0.575 -1.570 5.182 1.00 0.00 O ATOM 584 CB VAL A 43 1.017 -1.972 2.747 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.186 -1.664 1.869 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.267 -2.171 1.902 1.00 0.00 C ATOM 0 H VAL A 43 2.267 -2.043 5.160 1.00 0.00 H new ATOM 0 HA VAL A 43 1.491 0.071 3.255 1.00 0.00 H new ATOM 0 HB VAL A 43 0.817 -2.900 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.324 -2.468 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.077 -1.577 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.020 -0.726 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.094 -2.968 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.501 -1.246 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.103 -2.442 2.547 1.00 0.00 H new ATOM 596 N LYS A 44 -0.560 0.587 4.543 1.00 0.00 N ATOM 597 CA LYS A 44 -1.789 0.921 5.254 1.00 0.00 C ATOM 598 C LYS A 44 -2.920 1.218 4.275 1.00 0.00 C ATOM 599 O LYS A 44 -2.908 2.240 3.589 1.00 0.00 O ATOM 600 CB LYS A 44 -1.562 2.127 6.169 1.00 0.00 C ATOM 601 CG LYS A 44 -2.834 2.647 6.816 1.00 0.00 C ATOM 602 CD LYS A 44 -2.646 4.050 7.367 1.00 0.00 C ATOM 603 CE LYS A 44 -2.168 4.023 8.810 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.306 4.005 9.771 1.00 0.00 N ATOM 0 H LYS A 44 -0.140 1.368 4.039 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.073 0.061 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.853 1.852 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.104 2.930 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.642 2.648 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.134 1.976 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.924 4.589 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.588 4.596 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.544 3.144 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.544 4.896 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.940 4.038 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.916 4.830 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.858 3.134 9.639 1.00 0.00 H new ATOM 618 N TYR A 45 -3.896 0.319 4.216 1.00 0.00 N ATOM 619 CA TYR A 45 -5.035 0.485 3.320 1.00 0.00 C ATOM 620 C TYR A 45 -6.348 0.446 4.095 1.00 0.00 C ATOM 621 O TYR A 45 -6.484 -0.291 5.072 1.00 0.00 O ATOM 622 CB TYR A 45 -5.030 -0.606 2.248 1.00 0.00 C ATOM 623 CG TYR A 45 -5.116 -2.007 2.809 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.991 -2.644 3.316 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.324 -2.693 2.833 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.065 -3.925 3.830 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.408 -3.974 3.345 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.276 -4.585 3.842 1.00 0.00 C ATOM 629 OH TYR A 45 -5.355 -5.860 4.354 1.00 0.00 O ATOM 0 H TYR A 45 -3.922 -0.532 4.778 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.947 1.459 2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.869 -0.443 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.120 -0.517 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.041 -2.129 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.212 -2.217 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.180 -4.406 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.355 -4.494 3.356 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.680 -5.973 5.056 1.00 0.00 H new ATOM 639 N HIS A 46 -7.314 1.245 3.651 1.00 0.00 N ATOM 640 CA HIS A 46 -8.618 1.301 4.301 1.00 0.00 C ATOM 641 C HIS A 46 -9.687 1.797 3.331 1.00 0.00 C ATOM 642 O HIS A 46 -9.516 2.826 2.678 1.00 0.00 O ATOM 643 CB HIS A 46 -8.561 2.215 5.526 1.00 0.00 C ATOM 644 CG HIS A 46 -8.627 3.673 5.190 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.518 4.415 4.841 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.677 4.525 5.148 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.884 5.662 4.602 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.189 5.755 4.781 1.00 0.00 N ATOM 0 H HIS A 46 -7.218 1.862 2.844 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.882 0.293 4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.387 1.967 6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.639 2.018 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.707 4.283 5.363 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.227 6.468 4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.744 6.603 4.665 1.00 0.00 H new ATOM 657 N GLU A 47 -10.788 1.057 3.243 1.00 0.00 N ATOM 658 CA GLU A 47 -11.883 1.422 2.352 1.00 0.00 C ATOM 659 C GLU A 47 -12.405 2.819 2.674 1.00 0.00 C ATOM 660 O GLU A 47 -12.860 3.082 3.788 1.00 0.00 O ATOM 661 CB GLU A 47 -13.019 0.403 2.461 1.00 0.00 C ATOM 662 CG GLU A 47 -13.954 0.402 1.262 1.00 0.00 C ATOM 663 CD GLU A 47 -15.140 -0.523 1.448 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.719 -0.529 2.555 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.490 -1.241 0.488 1.00 0.00 O ATOM 0 H GLU A 47 -10.945 0.202 3.777 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.502 1.423 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.592 -0.593 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.597 0.611 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.313 1.416 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.399 0.101 0.373 1.00 0.00 H new ATOM 672 N LYS A 48 -12.335 3.711 1.693 1.00 0.00 N ATOM 673 CA LYS A 48 -12.801 5.082 1.869 1.00 0.00 C ATOM 674 C LYS A 48 -14.013 5.130 2.794 1.00 0.00 C ATOM 675 O LYS A 48 -14.036 5.885 3.765 1.00 0.00 O ATOM 676 CB LYS A 48 -13.154 5.701 0.515 1.00 0.00 C ATOM 677 CG LYS A 48 -13.020 7.214 0.485 1.00 0.00 C ATOM 678 CD LYS A 48 -12.685 7.715 -0.910 1.00 0.00 C ATOM 679 CE LYS A 48 -12.115 9.125 -0.873 1.00 0.00 C ATOM 680 NZ LYS A 48 -13.125 10.120 -0.415 1.00 0.00 N ATOM 0 H LYS A 48 -11.960 3.510 0.766 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.995 5.657 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.508 5.272 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.178 5.430 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.951 7.670 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.242 7.525 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.965 7.042 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.582 7.700 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.252 9.151 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.760 9.399 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.698 11.068 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.937 10.114 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.446 9.873 0.543 1.00 0.00 H new ATOM 769 N VAL A 56 -9.053 0.569 9.314 1.00 0.00 N ATOM 770 CA VAL A 56 -7.830 0.493 8.524 1.00 0.00 C ATOM 771 C VAL A 56 -6.992 -0.716 8.923 1.00 0.00 C ATOM 772 O VAL A 56 -6.909 -1.066 10.101 1.00 0.00 O ATOM 773 CB VAL A 56 -6.980 1.767 8.681 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.676 2.029 10.149 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.696 1.654 7.874 1.00 0.00 C ATOM 0 HA VAL A 56 -8.133 0.394 7.482 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.550 2.613 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.074 2.933 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.610 2.157 10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.126 1.184 10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.108 2.563 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.119 0.799 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.939 1.519 6.820 1.00 0.00 H new ATOM 785 N ARG A 57 -6.371 -1.352 7.935 1.00 0.00 N ATOM 786 CA ARG A 57 -5.539 -2.523 8.183 1.00 0.00 C ATOM 787 C ARG A 57 -4.068 -2.210 7.924 1.00 0.00 C ATOM 788 O ARG A 57 -3.739 -1.207 7.291 1.00 0.00 O ATOM 789 CB ARG A 57 -5.987 -3.689 7.300 1.00 0.00 C ATOM 790 CG ARG A 57 -7.328 -4.278 7.703 1.00 0.00 C ATOM 791 CD ARG A 57 -7.604 -5.586 6.976 1.00 0.00 C ATOM 792 NE ARG A 57 -9.033 -5.877 6.897 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.743 -6.353 7.913 1.00 0.00 C ATOM 794 NH1 ARG A 57 -9.161 -6.589 9.081 1.00 0.00 N ATOM 795 NH2 ARG A 57 -11.039 -6.593 7.763 1.00 0.00 N ATOM 0 H ARG A 57 -6.428 -1.076 6.955 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.653 -2.804 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.045 -3.349 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.230 -4.473 7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.343 -4.449 8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.121 -3.564 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.188 -5.536 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.096 -6.401 7.491 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.512 -5.705 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.165 -6.405 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.709 -6.955 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.491 -6.412 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.584 -6.959 8.544 1.00 0.00 H new ATOM 809 N PHE A 58 -3.189 -3.075 8.418 1.00 0.00 N ATOM 810 CA PHE A 58 -1.753 -2.890 8.241 1.00 0.00 C ATOM 811 C PHE A 58 -1.121 -4.122 7.599 1.00 0.00 C ATOM 812 O PHE A 58 -1.439 -5.256 7.959 1.00 0.00 O ATOM 813 CB PHE A 58 -1.085 -2.603 9.587 1.00 0.00 C ATOM 814 CG PHE A 58 -1.105 -1.150 9.969 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.301 -0.452 10.024 1.00 0.00 C ATOM 816 CD2 PHE A 58 0.070 -0.484 10.274 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.323 0.885 10.374 1.00 0.00 C ATOM 818 CE2 PHE A 58 0.055 0.853 10.626 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.144 1.538 10.677 1.00 0.00 C ATOM 0 H PHE A 58 -3.445 -3.911 8.944 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.600 -2.038 7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.586 -3.181 10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.051 -2.947 9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.226 -0.958 9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.010 -1.015 10.236 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.261 1.419 10.411 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.979 1.361 10.861 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.159 2.582 10.953 1.00 0.00 H new ATOM 829 N LEU A 59 -0.224 -3.890 6.647 1.00 0.00 N ATOM 830 CA LEU A 59 0.453 -4.980 5.953 1.00 0.00 C ATOM 831 C LEU A 59 1.934 -4.668 5.763 1.00 0.00 C ATOM 832 O LEU A 59 2.300 -3.800 4.970 1.00 0.00 O ATOM 833 CB LEU A 59 -0.205 -5.234 4.595 1.00 0.00 C ATOM 834 CG LEU A 59 0.604 -6.071 3.604 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.296 -7.550 3.778 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.318 -5.630 2.176 1.00 0.00 C ATOM 0 H LEU A 59 0.051 -2.958 6.338 1.00 0.00 H new ATOM 0 HA LEU A 59 0.365 -5.877 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.161 -5.730 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.423 -4.271 4.133 1.00 0.00 H new ATOM 0 HG LEU A 59 1.664 -5.915 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.881 -8.130 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.552 -7.858 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.766 -7.724 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.902 -6.236 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.743 -5.756 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.590 -4.581 2.058 1.00 0.00 H new ATOM 848 N LYS A 60 2.783 -5.382 6.494 1.00 0.00 N ATOM 849 CA LYS A 60 4.225 -5.185 6.404 1.00 0.00 C ATOM 850 C LYS A 60 4.877 -6.299 5.592 1.00 0.00 C ATOM 851 O LYS A 60 4.763 -7.478 5.931 1.00 0.00 O ATOM 852 CB LYS A 60 4.840 -5.132 7.804 1.00 0.00 C ATOM 853 CG LYS A 60 4.631 -3.804 8.511 1.00 0.00 C ATOM 854 CD LYS A 60 4.747 -3.950 10.019 1.00 0.00 C ATOM 855 CE LYS A 60 3.479 -4.536 10.621 1.00 0.00 C ATOM 856 NZ LYS A 60 3.475 -4.441 12.107 1.00 0.00 N ATOM 0 H LYS A 60 2.497 -6.103 7.156 1.00 0.00 H new ATOM 0 HA LYS A 60 4.407 -4.237 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.410 -5.929 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.909 -5.330 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.367 -3.083 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.648 -3.407 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.595 -4.591 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.947 -2.976 10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.611 -4.011 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.385 -5.580 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.594 -4.851 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.289 -4.963 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.539 -3.443 12.391 1.00 0.00 H new ATOM 870 N THR A 61 5.563 -5.919 4.519 1.00 0.00 N ATOM 871 CA THR A 61 6.234 -6.886 3.659 1.00 0.00 C ATOM 872 C THR A 61 7.705 -6.532 3.478 1.00 0.00 C ATOM 873 O THR A 61 8.044 -5.400 3.134 1.00 0.00 O ATOM 874 CB THR A 61 5.563 -6.968 2.275 1.00 0.00 C ATOM 875 OG1 THR A 61 6.400 -7.692 1.366 1.00 0.00 O ATOM 876 CG2 THR A 61 5.291 -5.576 1.722 1.00 0.00 C ATOM 0 H THR A 61 5.669 -4.948 4.225 1.00 0.00 H new ATOM 0 HA THR A 61 6.154 -7.855 4.151 1.00 0.00 H new ATOM 0 HB THR A 61 4.613 -7.490 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.985 -7.066 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.817 -5.659 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.630 -5.038 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.231 -5.033 1.624 1.00 0.00 H new ATOM 884 N SER A 62 8.577 -7.509 3.710 1.00 0.00 N ATOM 885 CA SER A 62 10.014 -7.299 3.575 1.00 0.00 C ATOM 886 C SER A 62 10.362 -6.812 2.171 1.00 0.00 C ATOM 887 O SER A 62 11.311 -6.051 1.985 1.00 0.00 O ATOM 888 CB SER A 62 10.770 -8.593 3.881 1.00 0.00 C ATOM 889 OG SER A 62 10.531 -9.572 2.884 1.00 0.00 O ATOM 0 H SER A 62 8.313 -8.453 3.992 1.00 0.00 H new ATOM 0 HA SER A 62 10.314 -6.534 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.839 -8.387 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.461 -8.977 4.853 1.00 0.00 H new ATOM 0 HG SER A 62 11.027 -10.389 3.102 1.00 0.00 H new ATOM 895 N GLU A 63 9.587 -7.258 1.188 1.00 0.00 N ATOM 896 CA GLU A 63 9.814 -6.869 -0.199 1.00 0.00 C ATOM 897 C GLU A 63 9.044 -5.597 -0.540 1.00 0.00 C ATOM 898 O GLU A 63 8.103 -5.223 0.158 1.00 0.00 O ATOM 899 CB GLU A 63 9.399 -7.999 -1.144 1.00 0.00 C ATOM 900 CG GLU A 63 10.515 -8.984 -1.442 1.00 0.00 C ATOM 901 CD GLU A 63 9.998 -10.375 -1.754 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.939 -10.751 -1.210 1.00 0.00 O ATOM 903 OE2 GLU A 63 10.653 -11.089 -2.543 1.00 0.00 O ATOM 0 H GLU A 63 8.797 -7.888 1.326 1.00 0.00 H new ATOM 0 HA GLU A 63 10.879 -6.673 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.558 -8.537 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.048 -7.567 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.100 -8.620 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.188 -9.034 -0.586 1.00 0.00 H new ATOM 910 N ASN A 64 9.453 -4.936 -1.618 1.00 0.00 N ATOM 911 CA ASN A 64 8.803 -3.704 -2.052 1.00 0.00 C ATOM 912 C ASN A 64 7.597 -4.008 -2.937 1.00 0.00 C ATOM 913 O ASN A 64 7.243 -3.219 -3.813 1.00 0.00 O ATOM 914 CB ASN A 64 9.795 -2.819 -2.809 1.00 0.00 C ATOM 915 CG ASN A 64 10.410 -3.527 -4.000 1.00 0.00 C ATOM 916 OD1 ASN A 64 10.217 -4.728 -4.190 1.00 0.00 O ATOM 917 ND2 ASN A 64 11.157 -2.785 -4.809 1.00 0.00 N ATOM 0 H ASN A 64 10.231 -5.232 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 64 8.456 -3.173 -1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.287 -1.917 -3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.586 -2.502 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.598 -3.207 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.290 -1.793 -4.613 1.00 0.00 H new ATOM 924 N ARG A 65 6.972 -5.157 -2.701 1.00 0.00 N ATOM 925 CA ARG A 65 5.807 -5.565 -3.476 1.00 0.00 C ATOM 926 C ARG A 65 4.891 -6.464 -2.650 1.00 0.00 C ATOM 927 O ARG A 65 5.343 -7.429 -2.035 1.00 0.00 O ATOM 928 CB ARG A 65 6.244 -6.296 -4.747 1.00 0.00 C ATOM 929 CG ARG A 65 7.065 -7.546 -4.479 1.00 0.00 C ATOM 930 CD ARG A 65 7.488 -8.223 -5.773 1.00 0.00 C ATOM 931 NE ARG A 65 6.348 -8.776 -6.500 1.00 0.00 N ATOM 932 CZ ARG A 65 5.599 -8.069 -7.339 1.00 0.00 C ATOM 933 NH1 ARG A 65 5.869 -6.789 -7.556 1.00 0.00 N ATOM 934 NH2 ARG A 65 4.578 -8.643 -7.963 1.00 0.00 N ATOM 0 H ARG A 65 7.253 -5.821 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 65 5.254 -4.667 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.359 -6.569 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.827 -5.614 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.949 -7.284 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.483 -8.243 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.007 -7.503 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.197 -9.020 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 65 6.114 -9.758 -6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.653 -6.345 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.292 -6.248 -8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.368 -9.628 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.003 -8.100 -8.607 1.00 0.00 H new ATOM 948 N ALA A 66 3.603 -6.138 -2.640 1.00 0.00 N ATOM 949 CA ALA A 66 2.624 -6.916 -1.891 1.00 0.00 C ATOM 950 C ALA A 66 1.410 -7.248 -2.752 1.00 0.00 C ATOM 951 O ALA A 66 1.177 -6.614 -3.781 1.00 0.00 O ATOM 952 CB ALA A 66 2.196 -6.162 -0.641 1.00 0.00 C ATOM 0 H ALA A 66 3.213 -5.340 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 66 3.093 -7.854 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.465 -6.755 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.066 -5.982 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.750 -5.209 -0.926 1.00 0.00 H new ATOM 958 N GLU A 67 0.642 -8.245 -2.326 1.00 0.00 N ATOM 959 CA GLU A 67 -0.547 -8.661 -3.061 1.00 0.00 C ATOM 960 C GLU A 67 -1.749 -8.780 -2.128 1.00 0.00 C ATOM 961 O GLU A 67 -1.759 -9.604 -1.212 1.00 0.00 O ATOM 962 CB GLU A 67 -0.298 -9.997 -3.763 1.00 0.00 C ATOM 963 CG GLU A 67 -1.529 -10.561 -4.452 1.00 0.00 C ATOM 964 CD GLU A 67 -1.215 -11.773 -5.308 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.963 -12.854 -4.736 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.220 -11.640 -6.550 1.00 0.00 O ATOM 0 H GLU A 67 0.821 -8.780 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.765 -7.900 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.494 -9.868 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.062 -10.721 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.269 -10.834 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.978 -9.788 -5.075 1.00 0.00 H new ATOM 973 N LEU A 68 -2.760 -7.952 -2.367 1.00 0.00 N ATOM 974 CA LEU A 68 -3.968 -7.963 -1.549 1.00 0.00 C ATOM 975 C LEU A 68 -4.924 -9.061 -2.004 1.00 0.00 C ATOM 976 O LEU A 68 -4.943 -9.434 -3.177 1.00 0.00 O ATOM 977 CB LEU A 68 -4.665 -6.604 -1.616 1.00 0.00 C ATOM 978 CG LEU A 68 -3.814 -5.393 -1.232 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.620 -4.110 -1.365 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.279 -5.545 0.185 1.00 0.00 C ATOM 0 H LEU A 68 -2.767 -7.265 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.677 -8.165 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.033 -6.457 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.536 -6.633 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.966 -5.337 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.998 -3.259 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.953 -3.995 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.487 -4.155 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.676 -4.674 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.113 -5.627 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.665 -6.443 0.248 1.00 0.00 H new ATOM 992 N ARG A 69 -5.717 -9.573 -1.069 1.00 0.00 N ATOM 993 CA ARG A 69 -6.676 -10.628 -1.375 1.00 0.00 C ATOM 994 C ARG A 69 -7.991 -10.397 -0.635 1.00 0.00 C ATOM 995 O ARG A 69 -7.999 -10.058 0.547 1.00 0.00 O ATOM 996 CB ARG A 69 -6.101 -11.995 -1.000 1.00 0.00 C ATOM 997 CG ARG A 69 -4.971 -12.450 -1.909 1.00 0.00 C ATOM 998 CD ARG A 69 -4.297 -13.704 -1.375 1.00 0.00 C ATOM 999 NE ARG A 69 -5.064 -14.909 -1.677 1.00 0.00 N ATOM 1000 CZ ARG A 69 -4.765 -16.111 -1.197 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.720 -16.267 -0.395 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -5.511 -17.160 -1.517 1.00 0.00 N ATOM 0 H ARG A 69 -5.715 -9.275 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.872 -10.607 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.737 -11.958 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.900 -12.736 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.362 -12.643 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.235 -11.652 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.300 -13.791 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.170 -13.616 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.874 -14.823 -2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.144 -15.463 -0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.492 -17.191 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.316 -17.045 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.280 -18.082 -1.147 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.102 -10.584 -1.341 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.407 -10.391 -0.736 1.00 0.00 C ATOM 1018 C GLY A 70 -10.751 -8.926 -0.554 1.00 0.00 C ATOM 1019 O GLY A 70 -10.717 -8.407 0.563 1.00 0.00 O ATOM 0 H GLY A 70 -9.122 -10.866 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.166 -10.865 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.432 -10.890 0.233 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.081 -8.257 -1.652 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.431 -6.841 -1.609 1.00 0.00 C ATOM 1025 C LEU A 71 -12.751 -6.585 -2.329 1.00 0.00 C ATOM 1026 O LEU A 71 -13.291 -7.469 -2.994 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.321 -6.001 -2.243 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.927 -6.164 -1.636 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.856 -5.794 -2.650 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.790 -5.317 -0.379 1.00 0.00 C ATOM 0 H LEU A 71 -11.114 -8.671 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.545 -6.552 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.265 -6.249 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.604 -4.951 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.792 -7.210 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.871 -5.916 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.940 -6.444 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.988 -4.756 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.792 -5.446 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.947 -4.268 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.534 -5.630 0.354 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.267 -5.367 -2.193 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.522 -4.992 -2.833 1.00 0.00 C ATOM 1044 C LYS A 72 -14.282 -3.983 -3.952 1.00 0.00 C ATOM 1045 O LYS A 72 -14.206 -2.779 -3.709 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.488 -4.404 -1.801 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.284 -5.455 -1.046 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.243 -4.820 -0.053 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.458 -4.229 -0.752 1.00 0.00 C ATOM 1050 NZ LYS A 72 -19.171 -3.247 0.111 1.00 0.00 N ATOM 0 H LYS A 72 -12.835 -4.623 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.963 -5.890 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.923 -3.805 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.180 -3.729 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.844 -6.067 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.601 -6.121 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.566 -5.568 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.727 -4.039 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.144 -3.741 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.142 -5.030 -1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.993 -2.867 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.493 -3.718 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.526 -2.469 0.357 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.164 -4.484 -5.177 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.934 -3.626 -6.334 1.00 0.00 C ATOM 1066 C ARG A 73 -14.914 -2.457 -6.348 1.00 0.00 C ATOM 1067 O ARG A 73 -15.959 -2.502 -5.700 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.065 -4.432 -7.627 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.482 -4.900 -7.913 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.492 -6.183 -8.729 1.00 0.00 C ATOM 1071 NE ARG A 73 -16.836 -6.533 -9.181 1.00 0.00 N ATOM 1072 CZ ARG A 73 -17.186 -7.755 -9.567 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.296 -8.738 -9.554 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -18.428 -7.996 -9.965 1.00 0.00 N ATOM 0 H ARG A 73 -14.224 -5.479 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.922 -3.227 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.717 -3.823 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.409 -5.301 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.009 -5.062 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.022 -4.121 -8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.837 -6.068 -9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.088 -6.998 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.544 -5.799 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.340 -8.557 -9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.567 -9.675 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.116 -7.243 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.696 -8.935 -10.261 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.569 -1.411 -7.093 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.429 -0.245 -7.177 1.00 0.00 C ATOM 1090 C GLY A 74 -15.282 0.672 -5.979 1.00 0.00 C ATOM 1091 O GLY A 74 -15.196 1.891 -6.129 1.00 0.00 O ATOM 0 H GLY A 74 -13.710 -1.350 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.196 0.310 -8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.467 -0.568 -7.258 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.254 0.086 -4.787 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.116 0.858 -3.559 1.00 0.00 C ATOM 1097 C ALA A 75 -13.733 1.494 -3.463 1.00 0.00 C ATOM 1098 O ALA A 75 -12.739 0.808 -3.227 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.378 -0.024 -2.347 1.00 0.00 C ATOM 0 H ALA A 75 -15.325 -0.922 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.856 1.658 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.271 0.567 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.390 -0.426 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.661 -0.845 -2.333 1.00 0.00 H new ATOM 1105 N SER A 76 -13.678 2.810 -3.647 1.00 0.00 N ATOM 1106 CA SER A 76 -12.416 3.538 -3.586 1.00 0.00 C ATOM 1107 C SER A 76 -11.541 3.014 -2.450 1.00 0.00 C ATOM 1108 O SER A 76 -11.927 3.062 -1.282 1.00 0.00 O ATOM 1109 CB SER A 76 -12.674 5.034 -3.397 1.00 0.00 C ATOM 1110 OG SER A 76 -13.330 5.584 -4.526 1.00 0.00 O ATOM 0 H SER A 76 -14.492 3.393 -3.839 1.00 0.00 H new ATOM 0 HA SER A 76 -11.890 3.383 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.282 5.192 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.729 5.552 -3.234 1.00 0.00 H new ATOM 0 HG SER A 76 -13.485 6.541 -4.380 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.362 2.515 -2.803 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.433 1.979 -1.815 1.00 0.00 C ATOM 1118 C TYR A 77 -8.242 2.914 -1.624 1.00 0.00 C ATOM 1119 O TYR A 77 -7.420 3.083 -2.526 1.00 0.00 O ATOM 1120 CB TYR A 77 -8.944 0.594 -2.242 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.803 -0.537 -1.722 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.682 -0.982 -0.411 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.734 -1.162 -2.543 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.464 -2.015 0.067 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.521 -2.195 -2.072 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.382 -2.618 -0.767 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.164 -3.648 -0.294 1.00 0.00 O ATOM 0 H TYR A 77 -10.027 2.470 -3.765 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.962 1.894 -0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.916 0.547 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.922 0.454 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.964 -0.512 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.844 -0.835 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.357 -2.349 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.241 -2.669 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.052 -3.305 -0.062 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.156 3.519 -0.445 1.00 0.00 N ATOM 1138 CA LEU A 78 -7.066 4.437 -0.133 1.00 0.00 C ATOM 1139 C LEU A 78 -5.968 3.730 0.656 1.00 0.00 C ATOM 1140 O LEU A 78 -6.156 3.374 1.819 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.592 5.633 0.662 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.201 6.770 -0.159 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -9.044 7.675 0.725 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.109 7.568 -0.856 1.00 0.00 C ATOM 0 H LEU A 78 -8.828 3.391 0.311 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.642 4.792 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.345 5.274 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.772 6.039 1.255 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.849 6.336 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.469 8.478 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.849 7.095 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.419 8.101 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.560 8.373 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.435 7.991 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.548 6.912 -1.522 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.820 3.533 0.015 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.690 2.873 0.658 1.00 0.00 C ATOM 1158 C VAL A 79 -2.419 3.703 0.523 1.00 0.00 C ATOM 1159 O VAL A 79 -2.164 4.300 -0.523 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.443 1.475 0.059 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -3.251 1.565 -1.447 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -2.239 0.819 0.719 1.00 0.00 C ATOM 0 H VAL A 79 -4.648 3.821 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.942 2.770 1.713 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.319 0.856 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.078 0.568 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.144 1.992 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.393 2.200 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.078 -0.168 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.355 1.435 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.420 0.719 1.789 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.624 3.736 1.588 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.379 4.495 1.588 1.00 0.00 C ATOM 1174 C GLN A 80 0.805 3.597 1.934 1.00 0.00 C ATOM 1175 O GLN A 80 0.789 2.894 2.944 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.463 5.654 2.583 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.119 6.900 2.011 1.00 0.00 C ATOM 1178 CD GLN A 80 -0.122 7.837 1.359 1.00 0.00 C ATOM 1179 OE1 GLN A 80 0.362 7.461 0.181 1.00 0.00 O flip ATOM 1180 NE2 GLN A 80 0.209 8.888 1.908 1.00 0.00 N flip ATOM 0 H GLN A 80 -1.820 3.246 2.461 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.227 4.896 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.022 5.329 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.542 5.905 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.870 6.607 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.642 7.429 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.188 9.137 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.881 9.509 1.457 1.00 0.00 H new ATOM 1189 N VAL A 81 1.830 3.626 1.089 1.00 0.00 N ATOM 1190 CA VAL A 81 3.023 2.816 1.305 1.00 0.00 C ATOM 1191 C VAL A 81 4.186 3.671 1.794 1.00 0.00 C ATOM 1192 O VAL A 81 4.552 4.661 1.161 1.00 0.00 O ATOM 1193 CB VAL A 81 3.444 2.083 0.018 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.701 1.260 0.259 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.311 1.204 -0.489 1.00 0.00 C ATOM 0 H VAL A 81 1.858 4.202 0.248 1.00 0.00 H new ATOM 0 HA VAL A 81 2.772 2.079 2.068 1.00 0.00 H new ATOM 0 HB VAL A 81 3.667 2.827 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.983 0.749 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.512 1.918 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.509 0.523 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.626 0.693 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.055 0.466 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.439 1.822 -0.703 1.00 0.00 H new ATOM 1205 N ARG A 82 4.765 3.281 2.925 1.00 0.00 N ATOM 1206 CA ARG A 82 5.888 4.012 3.501 1.00 0.00 C ATOM 1207 C ARG A 82 7.143 3.145 3.529 1.00 0.00 C ATOM 1208 O ARG A 82 7.096 1.956 3.217 1.00 0.00 O ATOM 1209 CB ARG A 82 5.547 4.481 4.916 1.00 0.00 C ATOM 1210 CG ARG A 82 5.396 3.344 5.914 1.00 0.00 C ATOM 1211 CD ARG A 82 5.772 3.785 7.321 1.00 0.00 C ATOM 1212 NE ARG A 82 4.633 4.350 8.040 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.753 5.208 9.047 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.954 5.597 9.452 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.669 5.679 9.651 1.00 0.00 N ATOM 0 H ARG A 82 4.475 2.463 3.461 1.00 0.00 H new ATOM 0 HA ARG A 82 6.082 4.883 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.328 5.157 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.620 5.053 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.367 2.986 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.027 2.508 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.164 2.932 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.570 4.525 7.268 1.00 0.00 H new ATOM 0 HE ARG A 82 3.695 4.071 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.789 5.237 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.043 6.256 10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.743 5.382 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.762 6.338 10.424 1.00 0.00 H new ATOM 1229 N ALA A 83 8.266 3.751 3.903 1.00 0.00 N ATOM 1230 CA ALA A 83 9.533 3.035 3.973 1.00 0.00 C ATOM 1231 C ALA A 83 10.214 3.255 5.320 1.00 0.00 C ATOM 1232 O ALA A 83 9.999 4.274 5.976 1.00 0.00 O ATOM 1233 CB ALA A 83 10.449 3.471 2.839 1.00 0.00 C ATOM 0 H ALA A 83 8.323 4.736 4.162 1.00 0.00 H new ATOM 0 HA ALA A 83 9.326 1.970 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.392 2.928 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.972 3.257 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.641 4.541 2.917 1.00 0.00 H new ATOM 1239 N ARG A 84 11.037 2.293 5.726 1.00 0.00 N ATOM 1240 CA ARG A 84 11.748 2.382 6.996 1.00 0.00 C ATOM 1241 C ARG A 84 13.209 1.978 6.830 1.00 0.00 C ATOM 1242 O ARG A 84 13.526 1.044 6.093 1.00 0.00 O ATOM 1243 CB ARG A 84 11.077 1.491 8.043 1.00 0.00 C ATOM 1244 CG ARG A 84 11.839 1.415 9.356 1.00 0.00 C ATOM 1245 CD ARG A 84 11.077 0.610 10.397 1.00 0.00 C ATOM 1246 NE ARG A 84 11.541 0.890 11.753 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.585 0.289 12.312 1.00 0.00 C ATOM 1248 NH1 ARG A 84 13.271 -0.621 11.634 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.946 0.598 13.551 1.00 0.00 N ATOM 0 H ARG A 84 11.228 1.444 5.194 1.00 0.00 H new ATOM 0 HA ARG A 84 11.712 3.418 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.072 1.866 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.969 0.485 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.815 0.960 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.018 2.422 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.013 0.837 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.191 -0.454 10.187 1.00 0.00 H new ATOM 0 HE ARG A 84 11.035 1.586 12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.997 -0.861 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.073 -1.081 12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.421 1.298 14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.748 0.135 13.979 1.00 0.00 H new ATOM 1263 N SER A 85 14.097 2.688 7.519 1.00 0.00 N ATOM 1264 CA SER A 85 15.525 2.406 7.445 1.00 0.00 C ATOM 1265 C SER A 85 16.141 2.348 8.840 1.00 0.00 C ATOM 1266 O SER A 85 15.485 2.662 9.832 1.00 0.00 O ATOM 1267 CB SER A 85 16.234 3.472 6.606 1.00 0.00 C ATOM 1268 OG SER A 85 16.561 4.605 7.391 1.00 0.00 O ATOM 0 H SER A 85 13.852 3.463 8.135 1.00 0.00 H new ATOM 0 HA SER A 85 15.654 1.434 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.141 3.053 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.593 3.773 5.777 1.00 0.00 H new ATOM 0 HG SER A 85 17.014 5.270 6.832 1.00 0.00 H new ATOM 1274 N GLU A 86 17.406 1.945 8.905 1.00 0.00 N ATOM 1275 CA GLU A 86 18.110 1.845 10.178 1.00 0.00 C ATOM 1276 C GLU A 86 17.671 2.952 11.131 1.00 0.00 C ATOM 1277 O GLU A 86 17.251 2.686 12.257 1.00 0.00 O ATOM 1278 CB GLU A 86 19.623 1.918 9.956 1.00 0.00 C ATOM 1279 CG GLU A 86 20.218 0.639 9.394 1.00 0.00 C ATOM 1280 CD GLU A 86 21.589 0.853 8.781 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.244 1.857 9.132 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.005 0.019 7.951 1.00 0.00 O ATOM 0 H GLU A 86 17.964 1.683 8.092 1.00 0.00 H new ATOM 0 HA GLU A 86 17.861 0.883 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.843 2.741 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.110 2.150 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.291 -0.103 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.546 0.231 8.639 1.00 0.00 H new ATOM 1289 N ALA A 87 17.771 4.195 10.672 1.00 0.00 N ATOM 1290 CA ALA A 87 17.383 5.343 11.482 1.00 0.00 C ATOM 1291 C ALA A 87 16.022 5.120 12.133 1.00 0.00 C ATOM 1292 O ALA A 87 15.918 5.009 13.354 1.00 0.00 O ATOM 1293 CB ALA A 87 17.363 6.606 10.633 1.00 0.00 C ATOM 0 H ALA A 87 18.118 4.433 9.743 1.00 0.00 H new ATOM 0 HA ALA A 87 18.121 5.463 12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.072 7.455 11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.356 6.782 10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.647 6.486 9.820 1.00 0.00 H new ATOM 1299 N GLY A 88 14.980 5.057 11.310 1.00 0.00 N ATOM 1300 CA GLY A 88 13.639 4.848 11.824 1.00 0.00 C ATOM 1301 C GLY A 88 12.591 4.845 10.729 1.00 0.00 C ATOM 1302 O GLY A 88 12.923 4.842 9.543 1.00 0.00 O ATOM 0 H GLY A 88 15.041 5.147 10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.603 3.899 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.404 5.631 12.545 1.00 0.00 H new ATOM 1306 N TYR A 89 11.324 4.843 11.125 1.00 0.00 N ATOM 1307 CA TYR A 89 10.224 4.835 10.168 1.00 0.00 C ATOM 1308 C TYR A 89 10.203 6.124 9.351 1.00 0.00 C ATOM 1309 O TYR A 89 10.568 7.191 9.844 1.00 0.00 O ATOM 1310 CB TYR A 89 8.889 4.656 10.893 1.00 0.00 C ATOM 1311 CG TYR A 89 8.473 3.211 11.048 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.914 2.511 9.987 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.640 2.546 12.257 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.532 1.190 10.124 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.262 1.225 12.403 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.708 0.552 11.334 1.00 0.00 C ATOM 1317 OH TYR A 89 7.330 -0.764 11.475 1.00 0.00 O ATOM 0 H TYR A 89 11.033 4.847 12.102 1.00 0.00 H new ATOM 0 HA TYR A 89 10.375 3.997 9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.957 5.114 11.880 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.113 5.192 10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.775 3.008 9.038 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.072 3.070 13.096 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.098 0.660 9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.400 0.722 13.349 1.00 0.00 H new ATOM 0 HH TYR A 89 7.522 -1.064 12.388 1.00 0.00 H new ATOM 1327 N GLY A 90 9.772 6.016 8.098 1.00 0.00 N ATOM 1328 CA GLY A 90 9.710 7.179 7.232 1.00 0.00 C ATOM 1329 C GLY A 90 8.289 7.650 6.995 1.00 0.00 C ATOM 1330 O GLY A 90 7.327 6.902 7.169 1.00 0.00 O ATOM 0 H GLY A 90 9.465 5.144 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.289 7.989 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.175 6.941 6.275 1.00 0.00 H new ATOM 1334 N PRO A 91 8.142 8.920 6.589 1.00 0.00 N ATOM 1335 CA PRO A 91 6.832 9.519 6.320 1.00 0.00 C ATOM 1336 C PRO A 91 6.176 8.941 5.070 1.00 0.00 C ATOM 1337 O PRO A 91 6.853 8.406 4.192 1.00 0.00 O ATOM 1338 CB PRO A 91 7.154 11.002 6.117 1.00 0.00 C ATOM 1339 CG PRO A 91 8.574 11.023 5.667 1.00 0.00 C ATOM 1340 CD PRO A 91 9.245 9.870 6.361 1.00 0.00 C ATOM 0 HA PRO A 91 6.124 9.329 7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.496 11.452 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.023 11.566 7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.642 10.920 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.052 11.967 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.031 9.433 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.709 10.180 7.298 1.00 0.00 H new ATOM 1348 N PHE A 92 4.854 9.053 4.996 1.00 0.00 N ATOM 1349 CA PHE A 92 4.106 8.540 3.854 1.00 0.00 C ATOM 1350 C PHE A 92 4.247 9.469 2.651 1.00 0.00 C ATOM 1351 O PHE A 92 4.890 10.515 2.732 1.00 0.00 O ATOM 1352 CB PHE A 92 2.629 8.377 4.216 1.00 0.00 C ATOM 1353 CG PHE A 92 2.331 7.106 4.958 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.491 5.875 4.343 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.889 7.142 6.271 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.218 4.703 5.024 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.615 5.974 6.957 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.779 4.753 6.332 1.00 0.00 C ATOM 0 H PHE A 92 4.279 9.494 5.713 1.00 0.00 H new ATOM 0 HA PHE A 92 4.517 7.566 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.316 9.226 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.034 8.403 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.833 5.830 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.757 8.094 6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.348 3.750 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.273 6.016 7.981 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.564 3.839 6.866 1.00 0.00 H new ATOM 1368 N GLY A 93 3.640 9.078 1.534 1.00 0.00 N ATOM 1369 CA GLY A 93 3.710 9.885 0.330 1.00 0.00 C ATOM 1370 C GLY A 93 2.338 10.241 -0.209 1.00 0.00 C ATOM 1371 O GLY A 93 1.446 10.619 0.549 1.00 0.00 O ATOM 0 H GLY A 93 3.101 8.217 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.263 10.800 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.268 9.344 -0.434 1.00 0.00 H new ATOM 1375 N GLN A 94 2.171 10.121 -1.522 1.00 0.00 N ATOM 1376 CA GLN A 94 0.899 10.435 -2.162 1.00 0.00 C ATOM 1377 C GLN A 94 -0.089 9.285 -2.003 1.00 0.00 C ATOM 1378 O GLN A 94 0.212 8.143 -2.350 1.00 0.00 O ATOM 1379 CB GLN A 94 1.112 10.739 -3.646 1.00 0.00 C ATOM 1380 CG GLN A 94 -0.062 11.453 -4.295 1.00 0.00 C ATOM 1381 CD GLN A 94 0.286 12.036 -5.651 1.00 0.00 C ATOM 1382 OE1 GLN A 94 1.406 11.878 -6.138 1.00 0.00 O ATOM 1383 NE2 GLN A 94 -0.674 12.716 -6.267 1.00 0.00 N ATOM 0 H GLN A 94 2.900 9.809 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 94 0.483 11.317 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.006 11.352 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.297 9.805 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.891 10.754 -4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.405 12.252 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.588 12.822 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.498 13.133 -7.181 1.00 0.00 H new ATOM 1392 N GLU A 95 -1.270 9.594 -1.475 1.00 0.00 N ATOM 1393 CA GLU A 95 -2.301 8.584 -1.269 1.00 0.00 C ATOM 1394 C GLU A 95 -2.513 7.757 -2.534 1.00 0.00 C ATOM 1395 O GLU A 95 -2.451 8.278 -3.648 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.617 9.246 -0.854 1.00 0.00 C ATOM 1397 CG GLU A 95 -4.007 10.427 -1.726 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.851 11.446 -0.985 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -5.903 11.056 -0.435 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.462 12.632 -0.955 1.00 0.00 O ATOM 0 H GLU A 95 -1.536 10.534 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.969 7.919 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.414 8.503 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.535 9.580 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.105 10.911 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.559 10.066 -2.594 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.762 6.464 -2.353 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.983 5.563 -3.479 1.00 0.00 C ATOM 1409 C HIS A 96 -4.460 5.202 -3.604 1.00 0.00 C ATOM 1410 O HIS A 96 -5.054 4.642 -2.683 1.00 0.00 O ATOM 1411 CB HIS A 96 -2.148 4.292 -3.314 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.988 3.512 -4.582 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -3.042 2.900 -5.227 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -0.888 3.247 -5.325 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.597 2.291 -6.312 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.293 2.487 -6.395 1.00 0.00 N ATOM 0 H HIS A 96 -2.816 6.017 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.674 6.077 -4.389 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.162 4.562 -2.936 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.615 3.656 -2.562 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -4.013 2.915 -4.915 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.120 3.573 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.197 1.729 -7.012 1.00 0.00 H new ATOM 1425 N HIS A 97 -5.048 5.528 -4.751 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.456 5.239 -4.997 1.00 0.00 C ATOM 1427 C HIS A 97 -6.694 4.906 -6.467 1.00 0.00 C ATOM 1428 O HIS A 97 -6.511 5.753 -7.342 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.323 6.429 -4.585 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.784 7.749 -5.042 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -7.042 8.277 -6.290 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -5.998 8.651 -4.410 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.437 9.445 -6.406 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -5.796 9.696 -5.278 1.00 0.00 N ATOM 0 H HIS A 97 -4.571 5.992 -5.524 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.733 4.372 -4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.326 6.295 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.417 6.441 -3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.603 8.565 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.462 10.086 -7.275 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.242 10.530 -5.084 1.00 0.00 H new ATOM 1443 N SER A 98 -7.101 3.669 -6.731 1.00 0.00 N ATOM 1444 CA SER A 98 -7.359 3.223 -8.095 1.00 0.00 C ATOM 1445 C SER A 98 -8.699 2.500 -8.186 1.00 0.00 C ATOM 1446 O SER A 98 -9.212 1.994 -7.189 1.00 0.00 O ATOM 1447 CB SER A 98 -6.236 2.302 -8.574 1.00 0.00 C ATOM 1448 OG SER A 98 -5.201 3.042 -9.200 1.00 0.00 O ATOM 0 H SER A 98 -7.259 2.957 -6.018 1.00 0.00 H new ATOM 0 HA SER A 98 -7.396 4.103 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.830 1.748 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.637 1.568 -9.273 1.00 0.00 H new ATOM 0 HG SER A 98 -4.494 2.431 -9.496 1.00 0.00 H new