USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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 21 SER OG : rot 108:sc= -0.6 USER MOD Set 1.2: A 52 MET CE :methyl -122:sc= -1.01 (180deg=0) USER MOD Set 1.3: A 88 TYR OH : rot 180:sc= 0.171 USER MOD Set 2.1: A 26 SER OG : rot 111:sc= 0.431 USER MOD Set 2.2: A 77 SER OG : rot -54:sc= 1.65 USER MOD Set 3.1: A 36 MET CE :methyl -160:sc= -9.84! (180deg=-11.7!) USER MOD Set 3.2: A 57 TYR OH : rot -4:sc= -1.05 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -170:sc= -0.0948 USER MOD Single : A 14 SER OG : rot -13:sc= 0.769 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -6.11! C(o=-6.1!,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.075) USER MOD Single : A 43 CYS SG : rot -7:sc= 0.429 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00964 X(o=-0.0096,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -164:sc= -6.74! (180deg=-7.74!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 166:sc= -1.57 (180deg=-2.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -3.59! K(o=-3.6!,f=-1.6) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 119:sc= -0.718 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0962 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.820 10.232 4.510 1.00 0.00 N ATOM 2 CA GLY A 1 4.405 11.476 4.981 1.00 0.00 C ATOM 3 C GLY A 1 4.495 12.502 3.850 1.00 0.00 C ATOM 4 O GLY A 1 3.984 12.271 2.755 1.00 0.00 O ATOM 0 H1 GLY A 1 2.893 10.092 4.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.700 10.274 3.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.447 9.439 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.804 11.879 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.400 11.285 5.383 1.00 0.00 H new ATOM 8 N SER A 2 5.148 13.614 4.153 1.00 0.00 N ATOM 9 CA SER A 2 5.311 14.677 3.175 1.00 0.00 C ATOM 10 C SER A 2 6.516 15.545 3.542 1.00 0.00 C ATOM 11 O SER A 2 6.405 16.450 4.369 1.00 0.00 O ATOM 12 CB SER A 2 4.048 15.535 3.079 1.00 0.00 C ATOM 13 OG SER A 2 3.841 16.314 4.254 1.00 0.00 O ATOM 0 H SER A 2 5.571 13.802 5.062 1.00 0.00 H new ATOM 0 HA SER A 2 5.483 14.222 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.123 16.195 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.184 14.891 2.914 1.00 0.00 H new ATOM 0 HG SER A 2 4.680 16.751 4.509 1.00 0.00 H new ATOM 19 N SER A 3 7.639 15.240 2.910 1.00 0.00 N ATOM 20 CA SER A 3 8.863 15.982 3.159 1.00 0.00 C ATOM 21 C SER A 3 9.474 16.445 1.835 1.00 0.00 C ATOM 22 O SER A 3 10.202 15.695 1.187 1.00 0.00 O ATOM 23 CB SER A 3 9.871 15.135 3.940 1.00 0.00 C ATOM 24 OG SER A 3 10.726 15.936 4.750 1.00 0.00 O ATOM 0 H SER A 3 7.727 14.489 2.226 1.00 0.00 H new ATOM 0 HA SER A 3 8.616 16.855 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.336 14.424 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.473 14.553 3.242 1.00 0.00 H new ATOM 0 HG SER A 3 11.353 15.359 5.234 1.00 0.00 H new ATOM 30 N GLY A 4 9.154 17.679 1.473 1.00 0.00 N ATOM 31 CA GLY A 4 9.662 18.251 0.237 1.00 0.00 C ATOM 32 C GLY A 4 9.843 19.765 0.368 1.00 0.00 C ATOM 33 O GLY A 4 10.969 20.257 0.422 1.00 0.00 O ATOM 0 H GLY A 4 8.550 18.298 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.615 17.788 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.973 18.033 -0.579 1.00 0.00 H new ATOM 37 N SER A 5 8.717 20.462 0.416 1.00 0.00 N ATOM 38 CA SER A 5 8.737 21.909 0.539 1.00 0.00 C ATOM 39 C SER A 5 9.484 22.525 -0.646 1.00 0.00 C ATOM 40 O SER A 5 10.710 22.623 -0.628 1.00 0.00 O ATOM 41 CB SER A 5 9.385 22.341 1.857 1.00 0.00 C ATOM 42 OG SER A 5 8.725 23.464 2.434 1.00 0.00 O ATOM 0 H SER A 5 7.785 20.051 0.372 1.00 0.00 H new ATOM 0 HA SER A 5 7.707 22.266 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.366 21.509 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.433 22.587 1.682 1.00 0.00 H new ATOM 0 HG SER A 5 9.167 23.707 3.274 1.00 0.00 H new ATOM 48 N SER A 6 8.713 22.924 -1.647 1.00 0.00 N ATOM 49 CA SER A 6 9.286 23.528 -2.838 1.00 0.00 C ATOM 50 C SER A 6 10.211 22.529 -3.537 1.00 0.00 C ATOM 51 O SER A 6 11.419 22.529 -3.305 1.00 0.00 O ATOM 52 CB SER A 6 10.050 24.808 -2.493 1.00 0.00 C ATOM 53 OG SER A 6 10.722 25.349 -3.627 1.00 0.00 O ATOM 0 H SER A 6 7.696 22.841 -1.658 1.00 0.00 H new ATOM 0 HA SER A 6 8.472 23.794 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.356 25.549 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.776 24.597 -1.708 1.00 0.00 H new ATOM 0 HG SER A 6 11.197 26.166 -3.367 1.00 0.00 H new ATOM 59 N GLY A 7 9.608 21.703 -4.379 1.00 0.00 N ATOM 60 CA GLY A 7 10.363 20.702 -5.114 1.00 0.00 C ATOM 61 C GLY A 7 9.479 19.507 -5.478 1.00 0.00 C ATOM 62 O GLY A 7 9.229 18.638 -4.644 1.00 0.00 O ATOM 0 H GLY A 7 8.606 21.706 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.774 21.145 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.208 20.365 -4.513 1.00 0.00 H new ATOM 66 N GLY A 8 9.031 19.501 -6.725 1.00 0.00 N ATOM 67 CA GLY A 8 8.181 18.428 -7.210 1.00 0.00 C ATOM 68 C GLY A 8 6.887 18.343 -6.397 1.00 0.00 C ATOM 69 O GLY A 8 6.862 17.743 -5.324 1.00 0.00 O ATOM 0 H GLY A 8 9.241 20.223 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.944 18.594 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.716 17.480 -7.149 1.00 0.00 H new ATOM 73 N PRO A 9 5.817 18.971 -6.954 1.00 0.00 N ATOM 74 CA PRO A 9 4.523 18.972 -6.293 1.00 0.00 C ATOM 75 C PRO A 9 3.837 17.611 -6.426 1.00 0.00 C ATOM 76 O PRO A 9 4.071 16.886 -7.391 1.00 0.00 O ATOM 77 CB PRO A 9 3.744 20.096 -6.956 1.00 0.00 C ATOM 78 CG PRO A 9 4.453 20.376 -8.271 1.00 0.00 C ATOM 79 CD PRO A 9 5.810 19.692 -8.223 1.00 0.00 C ATOM 0 HA PRO A 9 4.600 19.138 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.707 19.805 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.727 20.984 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.866 20.001 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.571 21.449 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.941 19.013 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.621 20.418 -8.270 1.00 0.00 H new ATOM 87 N PRO A 10 2.983 17.297 -5.415 1.00 0.00 N ATOM 88 CA PRO A 10 2.262 16.035 -5.410 1.00 0.00 C ATOM 89 C PRO A 10 1.114 16.055 -6.421 1.00 0.00 C ATOM 90 O PRO A 10 0.463 17.082 -6.607 1.00 0.00 O ATOM 91 CB PRO A 10 1.788 15.859 -3.977 1.00 0.00 C ATOM 92 CG PRO A 10 1.857 17.239 -3.342 1.00 0.00 C ATOM 93 CD PRO A 10 2.681 18.131 -4.256 1.00 0.00 C ATOM 0 HA PRO A 10 2.884 15.194 -5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.772 15.466 -3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.420 15.151 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.856 17.649 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.311 17.182 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.125 19.023 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.593 18.469 -3.763 1.00 0.00 H new ATOM 101 N THR A 11 0.901 14.908 -7.049 1.00 0.00 N ATOM 102 CA THR A 11 -0.158 14.781 -8.036 1.00 0.00 C ATOM 103 C THR A 11 -1.528 14.812 -7.357 1.00 0.00 C ATOM 104 O THR A 11 -1.662 14.408 -6.203 1.00 0.00 O ATOM 105 CB THR A 11 0.094 13.501 -8.837 1.00 0.00 C ATOM 106 OG1 THR A 11 -0.987 13.453 -9.763 1.00 0.00 O ATOM 107 CG2 THR A 11 -0.082 12.238 -7.992 1.00 0.00 C ATOM 0 H THR A 11 1.444 14.058 -6.894 1.00 0.00 H new ATOM 0 HA THR A 11 -0.155 15.622 -8.729 1.00 0.00 H new ATOM 0 HB THR A 11 1.102 13.524 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.994 12.583 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.108 11.359 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.621 12.257 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.101 12.197 -7.606 1.00 0.00 H new ATOM 115 N ARG A 12 -2.511 15.297 -8.101 1.00 0.00 N ATOM 116 CA ARG A 12 -3.866 15.387 -7.585 1.00 0.00 C ATOM 117 C ARG A 12 -4.877 15.067 -8.689 1.00 0.00 C ATOM 118 O ARG A 12 -5.971 15.628 -8.714 1.00 0.00 O ATOM 119 CB ARG A 12 -4.153 16.783 -7.030 1.00 0.00 C ATOM 120 CG ARG A 12 -3.320 17.843 -7.754 1.00 0.00 C ATOM 121 CD ARG A 12 -3.806 18.035 -9.192 1.00 0.00 C ATOM 122 NE ARG A 12 -4.278 19.425 -9.385 1.00 0.00 N ATOM 123 CZ ARG A 12 -4.786 19.893 -10.533 1.00 0.00 C ATOM 124 NH1 ARG A 12 -4.893 19.085 -11.597 1.00 0.00 N ATOM 125 NH2 ARG A 12 -5.188 21.168 -10.617 1.00 0.00 N ATOM 0 H ARG A 12 -2.396 15.632 -9.058 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.962 14.661 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.213 17.011 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.931 16.807 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.382 18.789 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.271 17.546 -7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.998 17.816 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.613 17.335 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.212 20.066 -8.595 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.588 18.114 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.280 19.441 -12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.107 21.783 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.575 21.524 -11.491 1.00 0.00 H new ATOM 139 N ARG A 13 -4.474 14.167 -9.573 1.00 0.00 N ATOM 140 CA ARG A 13 -5.330 13.766 -10.676 1.00 0.00 C ATOM 141 C ARG A 13 -6.614 13.125 -10.145 1.00 0.00 C ATOM 142 O ARG A 13 -7.598 13.002 -10.874 1.00 0.00 O ATOM 143 CB ARG A 13 -4.616 12.773 -11.596 1.00 0.00 C ATOM 144 CG ARG A 13 -3.300 13.356 -12.115 1.00 0.00 C ATOM 145 CD ARG A 13 -2.348 12.246 -12.564 1.00 0.00 C ATOM 146 NE ARG A 13 -2.533 11.974 -14.007 1.00 0.00 N ATOM 147 CZ ARG A 13 -2.076 10.878 -14.629 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.405 9.946 -13.939 1.00 0.00 N ATOM 149 NH2 ARG A 13 -2.290 10.715 -15.942 1.00 0.00 N ATOM 0 H ARG A 13 -3.566 13.704 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.575 14.661 -11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.420 11.847 -11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.263 12.520 -12.436 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.500 14.028 -12.949 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.828 13.951 -11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.316 12.540 -12.370 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.535 11.340 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.040 12.663 -14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.242 10.070 -12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.058 9.112 -14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.800 11.425 -16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.942 9.881 -16.416 1.00 0.00 H new ATOM 163 N SER A 14 -6.563 12.734 -8.880 1.00 0.00 N ATOM 164 CA SER A 14 -7.710 12.109 -8.244 1.00 0.00 C ATOM 165 C SER A 14 -7.565 12.177 -6.722 1.00 0.00 C ATOM 166 O SER A 14 -6.522 12.583 -6.212 1.00 0.00 O ATOM 167 CB SER A 14 -7.869 10.657 -8.698 1.00 0.00 C ATOM 168 OG SER A 14 -8.078 10.557 -10.104 1.00 0.00 O ATOM 0 H SER A 14 -5.746 12.838 -8.279 1.00 0.00 H new ATOM 0 HA SER A 14 -8.606 12.654 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.979 10.092 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.710 10.203 -8.173 1.00 0.00 H new ATOM 0 HG SER A 14 -8.291 11.442 -10.467 1.00 0.00 H new ATOM 174 N ASP A 15 -8.626 11.772 -6.040 1.00 0.00 N ATOM 175 CA ASP A 15 -8.630 11.781 -4.587 1.00 0.00 C ATOM 176 C ASP A 15 -9.150 10.437 -4.074 1.00 0.00 C ATOM 177 O ASP A 15 -10.239 10.364 -3.506 1.00 0.00 O ATOM 178 CB ASP A 15 -9.547 12.880 -4.046 1.00 0.00 C ATOM 179 CG ASP A 15 -8.858 14.219 -3.770 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.204 14.312 -2.709 1.00 0.00 O ATOM 181 OD2 ASP A 15 -9.002 15.118 -4.626 1.00 0.00 O ATOM 0 H ASP A 15 -9.489 11.435 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.610 11.962 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.354 13.044 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.006 12.527 -3.122 1.00 0.00 H new ATOM 186 N PHE A 16 -8.347 9.406 -4.292 1.00 0.00 N ATOM 187 CA PHE A 16 -8.713 8.068 -3.859 1.00 0.00 C ATOM 188 C PHE A 16 -7.469 7.233 -3.548 1.00 0.00 C ATOM 189 O PHE A 16 -6.729 6.853 -4.454 1.00 0.00 O ATOM 190 CB PHE A 16 -9.473 7.416 -5.015 1.00 0.00 C ATOM 191 CG PHE A 16 -10.440 8.358 -5.734 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.551 8.812 -5.094 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.189 8.743 -7.014 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.448 9.687 -5.761 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.087 9.618 -7.682 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.197 10.071 -7.041 1.00 0.00 C ATOM 0 H PHE A 16 -7.444 9.470 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.317 8.123 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.754 7.030 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.031 6.561 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.751 8.507 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.307 8.383 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.330 10.048 -5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.888 9.923 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.880 10.736 -7.549 1.00 0.00 H new ATOM 206 N ARG A 17 -7.276 6.973 -2.263 1.00 0.00 N ATOM 207 CA ARG A 17 -6.134 6.191 -1.821 1.00 0.00 C ATOM 208 C ARG A 17 -6.552 5.222 -0.712 1.00 0.00 C ATOM 209 O ARG A 17 -7.708 5.215 -0.292 1.00 0.00 O ATOM 210 CB ARG A 17 -5.014 7.095 -1.303 1.00 0.00 C ATOM 211 CG ARG A 17 -5.436 7.810 -0.018 1.00 0.00 C ATOM 212 CD ARG A 17 -4.302 7.805 1.009 1.00 0.00 C ATOM 213 NE ARG A 17 -3.492 9.037 0.875 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.891 10.247 1.289 1.00 0.00 C ATOM 215 NH1 ARG A 17 -5.092 10.396 1.865 1.00 0.00 N ATOM 216 NH2 ARG A 17 -3.090 11.309 1.125 1.00 0.00 N ATOM 0 H ARG A 17 -7.891 7.290 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.764 5.630 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.120 6.501 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.754 7.831 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.721 8.837 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.315 7.321 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.713 7.738 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.672 6.928 0.863 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.573 8.960 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.702 9.588 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.396 11.317 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.177 11.196 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.394 12.230 1.440 1.00 0.00 H new ATOM 230 N VAL A 18 -5.588 4.429 -0.270 1.00 0.00 N ATOM 231 CA VAL A 18 -5.841 3.458 0.782 1.00 0.00 C ATOM 232 C VAL A 18 -4.686 3.488 1.785 1.00 0.00 C ATOM 233 O VAL A 18 -3.525 3.346 1.405 1.00 0.00 O ATOM 234 CB VAL A 18 -6.068 2.074 0.173 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.339 2.051 -0.678 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.853 1.628 -0.644 1.00 0.00 C ATOM 0 H VAL A 18 -4.630 4.438 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.751 3.712 1.326 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.200 1.366 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.477 1.055 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.198 2.304 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.249 2.777 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.041 0.641 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.676 2.340 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.976 1.586 0.002 1.00 0.00 H new ATOM 246 N LEU A 19 -5.046 3.672 3.047 1.00 0.00 N ATOM 247 CA LEU A 19 -4.054 3.722 4.108 1.00 0.00 C ATOM 248 C LEU A 19 -3.728 2.298 4.563 1.00 0.00 C ATOM 249 O LEU A 19 -4.622 1.547 4.952 1.00 0.00 O ATOM 250 CB LEU A 19 -4.526 4.637 5.240 1.00 0.00 C ATOM 251 CG LEU A 19 -4.601 6.129 4.910 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.706 6.968 6.186 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.419 6.557 4.038 1.00 0.00 C ATOM 0 H LEU A 19 -6.010 3.788 3.359 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.126 4.160 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.514 4.306 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.856 4.506 6.089 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.508 6.307 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.758 8.025 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.605 6.686 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.830 6.792 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.496 7.622 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.487 6.363 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.431 5.992 3.106 1.00 0.00 H new ATOM 265 N VAL A 20 -2.446 1.969 4.499 1.00 0.00 N ATOM 266 CA VAL A 20 -1.992 0.649 4.900 1.00 0.00 C ATOM 267 C VAL A 20 -1.253 0.752 6.236 1.00 0.00 C ATOM 268 O VAL A 20 -0.459 1.668 6.441 1.00 0.00 O ATOM 269 CB VAL A 20 -1.138 0.030 3.791 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.556 -1.314 4.232 1.00 0.00 C ATOM 271 CG2 VAL A 20 -1.942 -0.118 2.498 1.00 0.00 C ATOM 0 H VAL A 20 -1.708 2.594 4.175 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.841 -0.018 5.049 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.306 0.706 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.046 -1.732 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.069 -1.168 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.368 -2.001 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.312 -0.560 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.803 -0.762 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.285 0.863 2.168 1.00 0.00 H new ATOM 281 N SER A 21 -1.542 -0.201 7.110 1.00 0.00 N ATOM 282 CA SER A 21 -0.915 -0.229 8.421 1.00 0.00 C ATOM 283 C SER A 21 -0.717 -1.676 8.875 1.00 0.00 C ATOM 284 O SER A 21 -1.463 -2.566 8.470 1.00 0.00 O ATOM 285 CB SER A 21 -1.749 0.541 9.447 1.00 0.00 C ATOM 286 OG SER A 21 -1.195 1.822 9.732 1.00 0.00 O ATOM 0 H SER A 21 -2.202 -0.959 6.936 1.00 0.00 H new ATOM 0 HA SER A 21 0.058 0.257 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.765 0.661 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.816 -0.038 10.368 1.00 0.00 H new ATOM 0 HG SER A 21 -1.759 2.518 9.335 1.00 0.00 H new ATOM 292 N GLY A 22 0.293 -1.867 9.712 1.00 0.00 N ATOM 293 CA GLY A 22 0.599 -3.191 10.226 1.00 0.00 C ATOM 294 C GLY A 22 1.541 -3.942 9.282 1.00 0.00 C ATOM 295 O GLY A 22 1.438 -5.159 9.135 1.00 0.00 O ATOM 0 H GLY A 22 0.910 -1.127 10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.058 -3.105 11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.323 -3.758 10.352 1.00 0.00 H new ATOM 299 N LEU A 23 2.437 -3.185 8.667 1.00 0.00 N ATOM 300 CA LEU A 23 3.397 -3.764 7.742 1.00 0.00 C ATOM 301 C LEU A 23 4.555 -4.376 8.532 1.00 0.00 C ATOM 302 O LEU A 23 4.801 -3.996 9.675 1.00 0.00 O ATOM 303 CB LEU A 23 3.838 -2.725 6.709 1.00 0.00 C ATOM 304 CG LEU A 23 2.839 -2.426 5.589 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.775 -0.926 5.297 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.162 -3.241 4.335 1.00 0.00 C ATOM 0 H LEU A 23 2.519 -2.176 8.791 1.00 0.00 H new ATOM 0 HA LEU A 23 2.938 -4.572 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.058 -1.794 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.770 -3.064 6.257 1.00 0.00 H new ATOM 0 HG LEU A 23 1.848 -2.731 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.058 -0.741 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.462 -0.394 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.759 -0.573 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.437 -3.010 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.164 -2.990 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.115 -4.304 4.570 1.00 0.00 H new ATOM 318 N PRO A 24 5.254 -5.339 7.873 1.00 0.00 N ATOM 319 CA PRO A 24 6.381 -6.008 8.501 1.00 0.00 C ATOM 320 C PRO A 24 7.608 -5.095 8.541 1.00 0.00 C ATOM 321 O PRO A 24 7.611 -4.025 7.933 1.00 0.00 O ATOM 322 CB PRO A 24 6.602 -7.265 7.676 1.00 0.00 C ATOM 323 CG PRO A 24 5.900 -7.022 6.350 1.00 0.00 C ATOM 324 CD PRO A 24 4.992 -5.814 6.518 1.00 0.00 C ATOM 0 HA PRO A 24 6.192 -6.261 9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.665 -7.452 7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.192 -8.140 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.629 -6.845 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.320 -7.898 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.215 -5.045 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.944 -6.085 6.389 1.00 0.00 H new ATOM 332 N PRO A 25 8.648 -5.562 9.282 1.00 0.00 N ATOM 333 CA PRO A 25 9.879 -4.799 9.409 1.00 0.00 C ATOM 334 C PRO A 25 10.710 -4.882 8.126 1.00 0.00 C ATOM 335 O PRO A 25 11.669 -4.132 7.955 1.00 0.00 O ATOM 336 CB PRO A 25 10.587 -5.394 10.615 1.00 0.00 C ATOM 337 CG PRO A 25 9.959 -6.760 10.836 1.00 0.00 C ATOM 338 CD PRO A 25 8.681 -6.824 10.016 1.00 0.00 C ATOM 0 HA PRO A 25 9.701 -3.733 9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.658 -5.481 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.462 -4.760 11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.647 -7.550 10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.742 -6.914 11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.688 -7.677 9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.805 -6.933 10.656 1.00 0.00 H new ATOM 346 N SER A 26 10.310 -5.800 7.259 1.00 0.00 N ATOM 347 CA SER A 26 11.006 -5.991 5.997 1.00 0.00 C ATOM 348 C SER A 26 10.095 -5.598 4.833 1.00 0.00 C ATOM 349 O SER A 26 10.538 -5.536 3.687 1.00 0.00 O ATOM 350 CB SER A 26 11.474 -7.439 5.840 1.00 0.00 C ATOM 351 OG SER A 26 10.491 -8.369 6.285 1.00 0.00 O ATOM 0 H SER A 26 9.513 -6.420 7.405 1.00 0.00 H new ATOM 0 HA SER A 26 11.888 -5.350 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.709 -7.633 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.394 -7.586 6.405 1.00 0.00 H new ATOM 0 HG SER A 26 10.129 -8.856 5.515 1.00 0.00 H new ATOM 357 N GLY A 27 8.838 -5.343 5.166 1.00 0.00 N ATOM 358 CA GLY A 27 7.861 -4.958 4.162 1.00 0.00 C ATOM 359 C GLY A 27 8.390 -3.816 3.292 1.00 0.00 C ATOM 360 O GLY A 27 9.122 -2.952 3.772 1.00 0.00 O ATOM 0 H GLY A 27 8.474 -5.396 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.621 -5.817 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.936 -4.650 4.649 1.00 0.00 H new ATOM 364 N SER A 28 7.999 -3.850 2.026 1.00 0.00 N ATOM 365 CA SER A 28 8.425 -2.829 1.084 1.00 0.00 C ATOM 366 C SER A 28 7.209 -2.240 0.365 1.00 0.00 C ATOM 367 O SER A 28 6.073 -2.611 0.655 1.00 0.00 O ATOM 368 CB SER A 28 9.419 -3.396 0.068 1.00 0.00 C ATOM 369 OG SER A 28 10.441 -4.167 0.695 1.00 0.00 O ATOM 0 H SER A 28 7.392 -4.568 1.631 1.00 0.00 H new ATOM 0 HA SER A 28 8.928 -2.039 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.887 -4.017 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.873 -2.578 -0.491 1.00 0.00 H new ATOM 0 HG SER A 28 11.054 -4.513 0.013 1.00 0.00 H new ATOM 375 N TRP A 29 7.490 -1.332 -0.558 1.00 0.00 N ATOM 376 CA TRP A 29 6.434 -0.689 -1.320 1.00 0.00 C ATOM 377 C TRP A 29 6.193 -1.515 -2.586 1.00 0.00 C ATOM 378 O TRP A 29 5.049 -1.730 -2.983 1.00 0.00 O ATOM 379 CB TRP A 29 6.782 0.771 -1.616 1.00 0.00 C ATOM 380 CG TRP A 29 8.105 0.956 -2.364 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.303 1.273 -1.854 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.315 0.820 -3.785 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.266 1.352 -2.839 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.647 1.068 -4.050 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.411 0.499 -4.812 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.193 1.021 -5.338 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.973 0.456 -6.094 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.311 0.703 -6.378 1.00 0.00 C ATOM 0 H TRP A 29 8.434 -1.027 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 29 5.509 -0.657 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.978 1.213 -2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.828 1.321 -0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.491 1.445 -0.804 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.251 1.578 -2.703 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.365 0.301 -4.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.239 1.219 -5.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.321 0.214 -6.920 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.669 0.650 -7.396 1.00 0.00 H new ATOM 399 N GLN A 30 7.291 -1.955 -3.184 1.00 0.00 N ATOM 400 CA GLN A 30 7.214 -2.752 -4.396 1.00 0.00 C ATOM 401 C GLN A 30 6.201 -3.885 -4.223 1.00 0.00 C ATOM 402 O GLN A 30 5.121 -3.853 -4.811 1.00 0.00 O ATOM 403 CB GLN A 30 8.590 -3.301 -4.780 1.00 0.00 C ATOM 404 CG GLN A 30 9.518 -2.177 -5.245 1.00 0.00 C ATOM 405 CD GLN A 30 9.659 -2.177 -6.769 1.00 0.00 C ATOM 406 OE1 GLN A 30 8.905 -2.813 -7.487 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.664 -1.432 -7.219 1.00 0.00 N ATOM 0 H GLN A 30 8.238 -1.774 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 30 6.876 -2.109 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.033 -3.813 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.482 -4.040 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.126 -1.216 -4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.499 -2.297 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.257 -0.925 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.842 -1.367 -8.221 1.00 0.00 H new ATOM 416 N ASP A 31 6.585 -4.861 -3.413 1.00 0.00 N ATOM 417 CA ASP A 31 5.723 -6.002 -3.154 1.00 0.00 C ATOM 418 C ASP A 31 4.348 -5.505 -2.703 1.00 0.00 C ATOM 419 O ASP A 31 3.322 -6.023 -3.142 1.00 0.00 O ATOM 420 CB ASP A 31 6.296 -6.884 -2.043 1.00 0.00 C ATOM 421 CG ASP A 31 6.624 -8.319 -2.461 1.00 0.00 C ATOM 422 OD1 ASP A 31 5.856 -8.860 -3.285 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.636 -8.842 -1.946 1.00 0.00 O ATOM 0 H ASP A 31 7.482 -4.885 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 31 5.648 -6.584 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.203 -6.417 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.582 -6.915 -1.220 1.00 0.00 H new ATOM 428 N LEU A 32 4.371 -4.508 -1.832 1.00 0.00 N ATOM 429 CA LEU A 32 3.139 -3.936 -1.316 1.00 0.00 C ATOM 430 C LEU A 32 2.231 -3.553 -2.486 1.00 0.00 C ATOM 431 O LEU A 32 1.076 -3.973 -2.543 1.00 0.00 O ATOM 432 CB LEU A 32 3.443 -2.774 -0.368 1.00 0.00 C ATOM 433 CG LEU A 32 2.235 -1.969 0.116 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.604 -1.094 1.315 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.629 -1.150 -1.026 1.00 0.00 C ATOM 0 H LEU A 32 5.224 -4.081 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 32 2.599 -4.671 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.964 -3.169 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.131 -2.093 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 32 1.470 -2.669 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.728 -0.533 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.953 -1.725 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.394 -0.400 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.772 -0.587 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.377 -0.459 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.306 -1.820 -1.823 1.00 0.00 H new ATOM 447 N LYS A 33 2.787 -2.761 -3.391 1.00 0.00 N ATOM 448 CA LYS A 33 2.041 -2.317 -4.556 1.00 0.00 C ATOM 449 C LYS A 33 1.501 -3.536 -5.306 1.00 0.00 C ATOM 450 O LYS A 33 0.291 -3.684 -5.468 1.00 0.00 O ATOM 451 CB LYS A 33 2.900 -1.393 -5.422 1.00 0.00 C ATOM 452 CG LYS A 33 2.035 -0.600 -6.404 1.00 0.00 C ATOM 453 CD LYS A 33 2.892 0.340 -7.254 1.00 0.00 C ATOM 454 CE LYS A 33 3.180 -0.272 -8.627 1.00 0.00 C ATOM 455 NZ LYS A 33 4.483 0.204 -9.143 1.00 0.00 N ATOM 0 H LYS A 33 3.745 -2.415 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 33 1.180 -1.722 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.457 -0.705 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.633 -1.982 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.491 -1.287 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.291 -0.023 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.379 1.294 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.831 0.547 -6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.187 -1.359 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.386 -0.005 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.663 -0.221 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.464 1.240 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.239 -0.073 -8.485 1.00 0.00 H new ATOM 469 N ASP A 34 2.425 -4.379 -5.743 1.00 0.00 N ATOM 470 CA ASP A 34 2.057 -5.581 -6.472 1.00 0.00 C ATOM 471 C ASP A 34 0.842 -6.226 -5.803 1.00 0.00 C ATOM 472 O ASP A 34 0.060 -6.913 -6.458 1.00 0.00 O ATOM 473 CB ASP A 34 3.198 -6.600 -6.465 1.00 0.00 C ATOM 474 CG ASP A 34 3.048 -7.746 -7.467 1.00 0.00 C ATOM 475 OD1 ASP A 34 2.003 -7.767 -8.153 1.00 0.00 O ATOM 476 OD2 ASP A 34 3.982 -8.575 -7.526 1.00 0.00 O ATOM 0 H ASP A 34 3.428 -4.253 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 34 1.834 -5.297 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.132 -6.078 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.282 -7.022 -5.463 1.00 0.00 H new ATOM 481 N HIS A 35 0.722 -5.982 -4.506 1.00 0.00 N ATOM 482 CA HIS A 35 -0.385 -6.530 -3.741 1.00 0.00 C ATOM 483 C HIS A 35 -1.590 -5.593 -3.837 1.00 0.00 C ATOM 484 O HIS A 35 -2.671 -6.006 -4.254 1.00 0.00 O ATOM 485 CB HIS A 35 0.038 -6.807 -2.296 1.00 0.00 C ATOM 486 CG HIS A 35 -0.983 -7.578 -1.495 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.663 -8.707 -0.761 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.320 -7.371 -1.319 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.765 -9.152 -0.175 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.791 -8.323 -0.523 1.00 0.00 N ATOM 0 H HIS A 35 1.373 -5.412 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.682 -7.490 -4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.975 -7.364 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.235 -5.858 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.897 -6.568 -1.754 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.838 -10.019 0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.761 -8.419 -0.221 1.00 0.00 H new ATOM 498 N MET A 36 -1.363 -4.348 -3.444 1.00 0.00 N ATOM 499 CA MET A 36 -2.417 -3.348 -3.481 1.00 0.00 C ATOM 500 C MET A 36 -3.011 -3.228 -4.886 1.00 0.00 C ATOM 501 O MET A 36 -4.223 -3.088 -5.042 1.00 0.00 O ATOM 502 CB MET A 36 -1.851 -1.994 -3.049 1.00 0.00 C ATOM 503 CG MET A 36 -1.561 -1.975 -1.546 1.00 0.00 C ATOM 504 SD MET A 36 -3.052 -2.335 -0.632 1.00 0.00 S ATOM 505 CE MET A 36 -4.259 -1.550 -1.686 1.00 0.00 C ATOM 0 H MET A 36 -0.465 -4.009 -3.099 1.00 0.00 H new ATOM 0 HA MET A 36 -3.208 -3.656 -2.798 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.935 -1.785 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.560 -1.204 -3.296 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.792 -2.709 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.173 -0.999 -1.254 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.171 -1.363 -1.119 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.860 -0.605 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.484 -2.202 -2.530 1.00 0.00 H new ATOM 515 N ARG A 37 -2.129 -3.288 -5.873 1.00 0.00 N ATOM 516 CA ARG A 37 -2.551 -3.188 -7.260 1.00 0.00 C ATOM 517 C ARG A 37 -3.837 -3.986 -7.483 1.00 0.00 C ATOM 518 O ARG A 37 -4.618 -3.673 -8.380 1.00 0.00 O ATOM 519 CB ARG A 37 -1.466 -3.710 -8.205 1.00 0.00 C ATOM 520 CG ARG A 37 -0.134 -2.999 -7.956 1.00 0.00 C ATOM 521 CD ARG A 37 0.298 -2.197 -9.185 1.00 0.00 C ATOM 522 NE ARG A 37 0.438 -3.097 -10.352 1.00 0.00 N ATOM 523 CZ ARG A 37 1.490 -3.900 -10.559 1.00 0.00 C ATOM 524 NH1 ARG A 37 2.500 -3.922 -9.679 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.532 -4.683 -11.646 1.00 0.00 N ATOM 0 H ARG A 37 -1.124 -3.405 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.730 -2.135 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.341 -4.784 -8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.776 -3.558 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.228 -2.334 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.633 -3.733 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.436 -1.421 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.245 -1.694 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.314 -3.106 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.468 -3.327 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.301 -4.534 -9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.763 -4.667 -12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.333 -5.294 -11.803 1.00 0.00 H new ATOM 539 N GLU A 38 -4.018 -5.000 -6.650 1.00 0.00 N ATOM 540 CA GLU A 38 -5.197 -5.845 -6.745 1.00 0.00 C ATOM 541 C GLU A 38 -6.393 -5.033 -7.246 1.00 0.00 C ATOM 542 O GLU A 38 -7.181 -5.517 -8.056 1.00 0.00 O ATOM 543 CB GLU A 38 -5.507 -6.506 -5.400 1.00 0.00 C ATOM 544 CG GLU A 38 -5.106 -7.982 -5.409 1.00 0.00 C ATOM 545 CD GLU A 38 -3.591 -8.138 -5.557 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.117 -8.007 -6.707 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.941 -8.384 -4.518 1.00 0.00 O ATOM 0 H GLU A 38 -3.368 -5.256 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.995 -6.638 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.975 -5.986 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.571 -6.416 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.436 -8.458 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.610 -8.494 -6.229 1.00 0.00 H new ATOM 554 N ALA A 39 -6.491 -3.811 -6.742 1.00 0.00 N ATOM 555 CA ALA A 39 -7.577 -2.927 -7.128 1.00 0.00 C ATOM 556 C ALA A 39 -7.510 -2.672 -8.635 1.00 0.00 C ATOM 557 O ALA A 39 -8.239 -3.293 -9.407 1.00 0.00 O ATOM 558 CB ALA A 39 -7.498 -1.635 -6.314 1.00 0.00 C ATOM 0 H ALA A 39 -5.836 -3.413 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.541 -3.388 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.313 -0.972 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.580 -1.868 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.544 -1.143 -6.505 1.00 0.00 H new ATOM 564 N GLY A 40 -6.628 -1.757 -9.009 1.00 0.00 N ATOM 565 CA GLY A 40 -6.456 -1.412 -10.410 1.00 0.00 C ATOM 566 C GLY A 40 -5.005 -1.025 -10.706 1.00 0.00 C ATOM 567 O GLY A 40 -4.119 -1.878 -10.707 1.00 0.00 O ATOM 0 H GLY A 40 -6.025 -1.244 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.745 -2.257 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.117 -0.584 -10.668 1.00 0.00 H new ATOM 571 N ASP A 41 -4.807 0.262 -10.949 1.00 0.00 N ATOM 572 CA ASP A 41 -3.479 0.772 -11.245 1.00 0.00 C ATOM 573 C ASP A 41 -3.037 1.713 -10.122 1.00 0.00 C ATOM 574 O ASP A 41 -3.774 2.620 -9.740 1.00 0.00 O ATOM 575 CB ASP A 41 -3.472 1.564 -12.554 1.00 0.00 C ATOM 576 CG ASP A 41 -2.118 1.629 -13.263 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.155 2.083 -12.607 1.00 0.00 O ATOM 578 OD2 ASP A 41 -2.076 1.224 -14.445 1.00 0.00 O ATOM 0 H ASP A 41 -5.544 0.967 -10.947 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.803 -0.079 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.200 1.121 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.806 2.581 -12.348 1.00 0.00 H new ATOM 583 N VAL A 42 -1.835 1.463 -9.624 1.00 0.00 N ATOM 584 CA VAL A 42 -1.285 2.276 -8.552 1.00 0.00 C ATOM 585 C VAL A 42 -0.280 3.271 -9.136 1.00 0.00 C ATOM 586 O VAL A 42 0.717 2.871 -9.737 1.00 0.00 O ATOM 587 CB VAL A 42 -0.679 1.378 -7.472 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.390 2.173 -6.197 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.589 0.183 -7.178 1.00 0.00 C ATOM 0 H VAL A 42 -1.226 0.709 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.072 2.855 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 42 0.268 0.993 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.040 1.511 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.314 2.975 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.318 2.600 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.135 -0.439 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.559 0.541 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.723 -0.405 -8.086 1.00 0.00 H new ATOM 599 N CYS A 43 -0.575 4.547 -8.939 1.00 0.00 N ATOM 600 CA CYS A 43 0.291 5.601 -9.439 1.00 0.00 C ATOM 601 C CYS A 43 1.232 6.025 -8.310 1.00 0.00 C ATOM 602 O CYS A 43 2.353 6.464 -8.564 1.00 0.00 O ATOM 603 CB CYS A 43 -0.514 6.783 -9.985 1.00 0.00 C ATOM 604 SG CYS A 43 0.591 8.213 -10.272 1.00 0.00 S ATOM 0 H CYS A 43 -1.402 4.875 -8.440 1.00 0.00 H new ATOM 0 HA CYS A 43 0.877 5.226 -10.278 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.005 6.500 -10.916 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.299 7.055 -9.280 1.00 0.00 H new ATOM 0 HG CYS A 43 1.778 7.943 -9.815 1.00 0.00 H new ATOM 610 N TYR A 44 0.743 5.879 -7.088 1.00 0.00 N ATOM 611 CA TYR A 44 1.527 6.241 -5.919 1.00 0.00 C ATOM 612 C TYR A 44 1.625 5.069 -4.940 1.00 0.00 C ATOM 613 O TYR A 44 0.619 4.439 -4.618 1.00 0.00 O ATOM 614 CB TYR A 44 0.774 7.390 -5.246 1.00 0.00 C ATOM 615 CG TYR A 44 1.573 8.102 -4.153 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.884 7.438 -2.983 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.984 9.407 -4.336 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.637 8.108 -1.954 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.736 10.076 -3.307 1.00 0.00 C ATOM 620 CZ TYR A 44 3.025 9.394 -2.166 1.00 0.00 C ATOM 621 OH TYR A 44 3.736 10.026 -1.194 1.00 0.00 O ATOM 0 H TYR A 44 -0.187 5.515 -6.881 1.00 0.00 H new ATOM 0 HA TYR A 44 2.541 6.518 -6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.488 8.118 -6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.148 7.002 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.563 6.417 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.741 9.926 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.888 7.600 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.064 11.097 -3.438 1.00 0.00 H new ATOM 0 HH TYR A 44 3.946 10.939 -1.483 1.00 0.00 H new ATOM 631 N ALA A 45 2.846 4.813 -4.495 1.00 0.00 N ATOM 632 CA ALA A 45 3.089 3.728 -3.559 1.00 0.00 C ATOM 633 C ALA A 45 4.318 4.058 -2.711 1.00 0.00 C ATOM 634 O ALA A 45 5.432 4.133 -3.227 1.00 0.00 O ATOM 635 CB ALA A 45 3.247 2.415 -4.329 1.00 0.00 C ATOM 0 H ALA A 45 3.678 5.338 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 45 2.243 3.609 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.429 1.601 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.336 2.211 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.088 2.496 -5.017 1.00 0.00 H new ATOM 641 N ASP A 46 4.075 4.245 -1.422 1.00 0.00 N ATOM 642 CA ASP A 46 5.149 4.565 -0.496 1.00 0.00 C ATOM 643 C ASP A 46 4.985 3.731 0.776 1.00 0.00 C ATOM 644 O ASP A 46 3.881 3.295 1.099 1.00 0.00 O ATOM 645 CB ASP A 46 5.113 6.043 -0.101 1.00 0.00 C ATOM 646 CG ASP A 46 6.357 6.547 0.633 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.354 6.827 -0.068 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.284 6.640 1.877 1.00 0.00 O ATOM 0 H ASP A 46 3.150 4.181 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 46 6.096 4.347 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.974 6.641 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.242 6.213 0.532 1.00 0.00 H new ATOM 653 N VAL A 47 6.100 3.534 1.464 1.00 0.00 N ATOM 654 CA VAL A 47 6.094 2.760 2.693 1.00 0.00 C ATOM 655 C VAL A 47 7.059 3.396 3.696 1.00 0.00 C ATOM 656 O VAL A 47 8.134 3.861 3.320 1.00 0.00 O ATOM 657 CB VAL A 47 6.425 1.297 2.392 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.820 1.165 1.778 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.295 0.435 3.649 1.00 0.00 C ATOM 0 H VAL A 47 7.014 3.897 1.193 1.00 0.00 H new ATOM 0 HA VAL A 47 5.102 2.769 3.145 1.00 0.00 H new ATOM 0 HB VAL A 47 5.702 0.934 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.030 0.115 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.863 1.731 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.562 1.555 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.536 -0.600 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.983 0.799 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.273 0.491 4.025 1.00 0.00 H new ATOM 669 N GLN A 48 6.640 3.398 4.953 1.00 0.00 N ATOM 670 CA GLN A 48 7.453 3.969 6.012 1.00 0.00 C ATOM 671 C GLN A 48 7.712 2.928 7.103 1.00 0.00 C ATOM 672 O GLN A 48 7.116 1.852 7.093 1.00 0.00 O ATOM 673 CB GLN A 48 6.794 5.221 6.595 1.00 0.00 C ATOM 674 CG GLN A 48 5.406 4.901 7.152 1.00 0.00 C ATOM 675 CD GLN A 48 4.757 6.148 7.757 1.00 0.00 C ATOM 676 OE1 GLN A 48 5.182 6.669 8.775 1.00 0.00 O ATOM 677 NE2 GLN A 48 3.706 6.595 7.076 1.00 0.00 N ATOM 0 H GLN A 48 5.747 3.013 5.261 1.00 0.00 H new ATOM 0 HA GLN A 48 8.411 4.267 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.421 5.632 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.712 5.986 5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.773 4.507 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.485 4.123 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.403 6.111 6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.203 7.422 7.399 1.00 0.00 H new ATOM 686 N LYS A 49 8.602 3.285 8.018 1.00 0.00 N ATOM 687 CA LYS A 49 8.947 2.395 9.113 1.00 0.00 C ATOM 688 C LYS A 49 7.703 2.134 9.964 1.00 0.00 C ATOM 689 O LYS A 49 6.601 2.545 9.602 1.00 0.00 O ATOM 690 CB LYS A 49 10.129 2.955 9.907 1.00 0.00 C ATOM 691 CG LYS A 49 9.726 4.218 10.672 1.00 0.00 C ATOM 692 CD LYS A 49 10.492 5.438 10.156 1.00 0.00 C ATOM 693 CE LYS A 49 11.865 5.546 10.823 1.00 0.00 C ATOM 694 NZ LYS A 49 12.941 5.319 9.832 1.00 0.00 N ATOM 0 H LYS A 49 9.094 4.178 8.023 1.00 0.00 H new ATOM 0 HA LYS A 49 9.279 1.430 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.491 2.202 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.952 3.183 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.654 4.385 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.924 4.082 11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.614 5.365 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.916 6.343 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.980 6.531 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.944 4.815 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.866 5.396 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.839 4.369 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.875 6.032 9.078 1.00 0.00 H new ATOM 708 N ASP A 50 7.920 1.453 11.080 1.00 0.00 N ATOM 709 CA ASP A 50 6.830 1.133 11.986 1.00 0.00 C ATOM 710 C ASP A 50 5.979 0.016 11.378 1.00 0.00 C ATOM 711 O ASP A 50 5.826 -1.048 11.976 1.00 0.00 O ATOM 712 CB ASP A 50 5.926 2.347 12.210 1.00 0.00 C ATOM 713 CG ASP A 50 5.662 2.694 13.677 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.513 1.738 14.468 1.00 0.00 O ATOM 715 OD2 ASP A 50 5.615 3.907 13.973 1.00 0.00 O ATOM 0 H ASP A 50 8.835 1.114 11.377 1.00 0.00 H new ATOM 0 HA ASP A 50 7.262 0.824 12.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.377 3.212 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.971 2.166 11.717 1.00 0.00 H new ATOM 720 N GLY A 51 5.448 0.296 10.197 1.00 0.00 N ATOM 721 CA GLY A 51 4.617 -0.672 9.502 1.00 0.00 C ATOM 722 C GLY A 51 3.420 0.011 8.836 1.00 0.00 C ATOM 723 O GLY A 51 2.294 -0.477 8.925 1.00 0.00 O ATOM 0 H GLY A 51 5.577 1.179 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.210 -1.191 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.265 -1.426 10.206 1.00 0.00 H new ATOM 727 N MET A 52 3.705 1.129 8.184 1.00 0.00 N ATOM 728 CA MET A 52 2.666 1.883 7.504 1.00 0.00 C ATOM 729 C MET A 52 2.931 1.947 5.999 1.00 0.00 C ATOM 730 O MET A 52 4.054 1.717 5.552 1.00 0.00 O ATOM 731 CB MET A 52 2.610 3.302 8.073 1.00 0.00 C ATOM 732 CG MET A 52 1.669 3.373 9.277 1.00 0.00 C ATOM 733 SD MET A 52 0.568 4.768 9.111 1.00 0.00 S ATOM 734 CE MET A 52 -0.513 4.478 10.501 1.00 0.00 C ATOM 0 H MET A 52 4.640 1.530 8.112 1.00 0.00 H new ATOM 0 HA MET A 52 1.713 1.379 7.665 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.610 3.619 8.369 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.272 3.994 7.302 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.092 2.451 9.353 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.248 3.463 10.196 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.541 4.392 10.150 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.222 3.555 11.002 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.437 5.310 11.201 1.00 0.00 H new ATOM 744 N GLY A 53 1.878 2.259 5.257 1.00 0.00 N ATOM 745 CA GLY A 53 1.983 2.356 3.811 1.00 0.00 C ATOM 746 C GLY A 53 0.906 3.283 3.244 1.00 0.00 C ATOM 747 O GLY A 53 -0.014 3.680 3.957 1.00 0.00 O ATOM 0 H GLY A 53 0.948 2.448 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.970 2.730 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.885 1.365 3.368 1.00 0.00 H new ATOM 751 N MET A 54 1.056 3.599 1.966 1.00 0.00 N ATOM 752 CA MET A 54 0.107 4.471 1.295 1.00 0.00 C ATOM 753 C MET A 54 0.094 4.210 -0.212 1.00 0.00 C ATOM 754 O MET A 54 1.141 4.221 -0.858 1.00 0.00 O ATOM 755 CB MET A 54 0.483 5.931 1.557 1.00 0.00 C ATOM 756 CG MET A 54 -0.699 6.861 1.270 1.00 0.00 C ATOM 757 SD MET A 54 -0.113 8.393 0.566 1.00 0.00 S ATOM 758 CE MET A 54 -0.612 8.164 -1.133 1.00 0.00 C ATOM 0 H MET A 54 1.820 3.267 1.378 1.00 0.00 H new ATOM 0 HA MET A 54 -0.888 4.266 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.800 6.049 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.331 6.210 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.394 6.378 0.583 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.247 7.060 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.086 8.879 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.368 7.150 -1.450 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.687 8.323 -1.221 1.00 0.00 H new ATOM 768 N VAL A 55 -1.104 3.981 -0.730 1.00 0.00 N ATOM 769 CA VAL A 55 -1.268 3.717 -2.149 1.00 0.00 C ATOM 770 C VAL A 55 -2.461 4.516 -2.678 1.00 0.00 C ATOM 771 O VAL A 55 -3.497 4.600 -2.021 1.00 0.00 O ATOM 772 CB VAL A 55 -1.404 2.212 -2.390 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.100 1.623 -2.931 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.843 1.490 -1.114 1.00 0.00 C ATOM 0 H VAL A 55 -1.970 3.973 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.387 4.043 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.177 2.062 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.224 0.552 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.154 2.106 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.701 1.790 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.932 0.422 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.103 1.653 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.807 1.880 -0.789 1.00 0.00 H new ATOM 784 N GLU A 56 -2.274 5.084 -3.860 1.00 0.00 N ATOM 785 CA GLU A 56 -3.321 5.874 -4.485 1.00 0.00 C ATOM 786 C GLU A 56 -3.850 5.164 -5.733 1.00 0.00 C ATOM 787 O GLU A 56 -3.110 4.444 -6.402 1.00 0.00 O ATOM 788 CB GLU A 56 -2.820 7.279 -4.825 1.00 0.00 C ATOM 789 CG GLU A 56 -2.179 7.943 -3.604 1.00 0.00 C ATOM 790 CD GLU A 56 -1.688 9.352 -3.941 1.00 0.00 C ATOM 791 OE1 GLU A 56 -0.800 9.450 -4.815 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.212 10.300 -3.317 1.00 0.00 O ATOM 0 H GLU A 56 -1.413 5.013 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.142 5.978 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.094 7.224 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.650 7.889 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.902 7.991 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.344 7.337 -3.253 1.00 0.00 H new ATOM 799 N TYR A 57 -5.126 5.391 -6.008 1.00 0.00 N ATOM 800 CA TYR A 57 -5.762 4.781 -7.164 1.00 0.00 C ATOM 801 C TYR A 57 -6.319 5.848 -8.109 1.00 0.00 C ATOM 802 O TYR A 57 -6.766 6.904 -7.665 1.00 0.00 O ATOM 803 CB TYR A 57 -6.921 3.947 -6.616 1.00 0.00 C ATOM 804 CG TYR A 57 -6.486 2.647 -5.937 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.852 1.664 -6.670 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.727 2.457 -4.592 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.442 0.441 -6.031 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.318 1.233 -3.953 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.695 0.286 -4.704 1.00 0.00 C ATOM 810 OH TYR A 57 -5.308 -0.870 -4.100 1.00 0.00 O ATOM 0 H TYR A 57 -5.737 5.989 -5.451 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.045 4.182 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.481 4.549 -5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.601 3.708 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.664 1.813 -7.723 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.222 3.226 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.945 -0.336 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.502 1.071 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.935 -1.480 -4.770 1.00 0.00 H new ATOM 820 N LEU A 58 -6.273 5.535 -9.396 1.00 0.00 N ATOM 821 CA LEU A 58 -6.767 6.453 -10.408 1.00 0.00 C ATOM 822 C LEU A 58 -8.282 6.284 -10.547 1.00 0.00 C ATOM 823 O LEU A 58 -8.928 7.031 -11.280 1.00 0.00 O ATOM 824 CB LEU A 58 -6.004 6.265 -11.720 1.00 0.00 C ATOM 825 CG LEU A 58 -4.493 6.492 -11.656 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.163 7.780 -10.900 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.781 5.277 -11.057 1.00 0.00 C ATOM 0 H LEU A 58 -5.901 4.658 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.587 7.485 -10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.184 5.252 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.422 6.946 -12.461 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.123 6.613 -12.674 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.082 7.917 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.622 8.628 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.549 7.714 -9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.708 5.464 -11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.151 5.100 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.977 4.400 -11.674 1.00 0.00 H new ATOM 839 N ARG A 59 -8.804 5.299 -9.830 1.00 0.00 N ATOM 840 CA ARG A 59 -10.230 5.024 -9.865 1.00 0.00 C ATOM 841 C ARG A 59 -10.787 4.930 -8.443 1.00 0.00 C ATOM 842 O ARG A 59 -10.205 4.264 -7.588 1.00 0.00 O ATOM 843 CB ARG A 59 -10.520 3.717 -10.606 1.00 0.00 C ATOM 844 CG ARG A 59 -10.443 3.918 -12.121 1.00 0.00 C ATOM 845 CD ARG A 59 -11.465 4.956 -12.590 1.00 0.00 C ATOM 846 NE ARG A 59 -12.003 4.574 -13.915 1.00 0.00 N ATOM 847 CZ ARG A 59 -13.147 5.047 -14.426 1.00 0.00 C ATOM 848 NH1 ARG A 59 -13.882 5.923 -13.726 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.558 4.645 -15.636 1.00 0.00 N ATOM 0 H ARG A 59 -8.265 4.682 -9.222 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.714 5.845 -10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.804 2.954 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.510 3.352 -10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.439 4.240 -12.398 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.624 2.970 -12.627 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.277 5.032 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.997 5.939 -12.648 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.469 3.909 -14.474 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.570 6.229 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.753 6.283 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.000 3.978 -16.169 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.429 5.006 -16.024 1.00 0.00 H new ATOM 863 N LYS A 60 -11.906 5.606 -8.234 1.00 0.00 N ATOM 864 CA LYS A 60 -12.548 5.608 -6.931 1.00 0.00 C ATOM 865 C LYS A 60 -12.861 4.167 -6.520 1.00 0.00 C ATOM 866 O LYS A 60 -12.483 3.732 -5.433 1.00 0.00 O ATOM 867 CB LYS A 60 -13.773 6.525 -6.937 1.00 0.00 C ATOM 868 CG LYS A 60 -14.422 6.583 -5.553 1.00 0.00 C ATOM 869 CD LYS A 60 -15.824 7.189 -5.630 1.00 0.00 C ATOM 870 CE LYS A 60 -16.612 6.914 -4.347 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.979 7.472 -4.448 1.00 0.00 N ATOM 0 H LYS A 60 -12.385 6.157 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.876 6.018 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.479 7.528 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.498 6.165 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.478 5.579 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.802 7.176 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.751 8.264 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.357 6.773 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.664 5.840 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.095 7.355 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.500 7.276 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.924 8.500 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.475 7.032 -5.249 1.00 0.00 H new ATOM 885 N GLU A 61 -13.548 3.468 -7.411 1.00 0.00 N ATOM 886 CA GLU A 61 -13.916 2.086 -7.154 1.00 0.00 C ATOM 887 C GLU A 61 -12.701 1.294 -6.667 1.00 0.00 C ATOM 888 O GLU A 61 -12.740 0.684 -5.600 1.00 0.00 O ATOM 889 CB GLU A 61 -14.527 1.441 -8.400 1.00 0.00 C ATOM 890 CG GLU A 61 -16.052 1.568 -8.392 1.00 0.00 C ATOM 891 CD GLU A 61 -16.718 0.197 -8.525 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.663 -0.354 -9.645 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.267 -0.268 -7.503 1.00 0.00 O ATOM 0 H GLU A 61 -13.859 3.832 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.672 2.072 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.124 1.916 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.246 0.389 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.376 2.045 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.371 2.212 -9.211 1.00 0.00 H new ATOM 900 N ASP A 62 -11.650 1.330 -7.473 1.00 0.00 N ATOM 901 CA ASP A 62 -10.425 0.624 -7.138 1.00 0.00 C ATOM 902 C ASP A 62 -10.148 0.775 -5.641 1.00 0.00 C ATOM 903 O ASP A 62 -9.953 -0.217 -4.939 1.00 0.00 O ATOM 904 CB ASP A 62 -9.230 1.201 -7.900 1.00 0.00 C ATOM 905 CG ASP A 62 -9.128 0.770 -9.364 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.949 -0.084 -9.763 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.232 1.305 -10.052 1.00 0.00 O ATOM 0 H ASP A 62 -11.622 1.837 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.555 -0.423 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.284 2.289 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.315 0.908 -7.386 1.00 0.00 H new ATOM 912 N MET A 63 -10.139 2.023 -5.195 1.00 0.00 N ATOM 913 CA MET A 63 -9.890 2.316 -3.794 1.00 0.00 C ATOM 914 C MET A 63 -10.768 1.451 -2.888 1.00 0.00 C ATOM 915 O MET A 63 -10.260 0.657 -2.098 1.00 0.00 O ATOM 916 CB MET A 63 -10.176 3.794 -3.523 1.00 0.00 C ATOM 917 CG MET A 63 -9.664 4.207 -2.141 1.00 0.00 C ATOM 918 SD MET A 63 -10.015 5.933 -1.851 1.00 0.00 S ATOM 919 CE MET A 63 -11.689 6.016 -2.464 1.00 0.00 C ATOM 0 H MET A 63 -10.300 2.843 -5.780 1.00 0.00 H new ATOM 0 HA MET A 63 -8.846 2.093 -3.576 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.700 4.407 -4.289 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.248 3.978 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.137 3.597 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.591 4.029 -2.074 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.150 6.948 -2.138 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.680 5.978 -3.553 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.261 5.173 -2.076 1.00 0.00 H new ATOM 929 N GLU A 64 -12.073 1.634 -3.033 1.00 0.00 N ATOM 930 CA GLU A 64 -13.027 0.881 -2.237 1.00 0.00 C ATOM 931 C GLU A 64 -12.851 -0.620 -2.478 1.00 0.00 C ATOM 932 O GLU A 64 -12.835 -1.406 -1.532 1.00 0.00 O ATOM 933 CB GLU A 64 -14.461 1.320 -2.540 1.00 0.00 C ATOM 934 CG GLU A 64 -14.629 2.826 -2.333 1.00 0.00 C ATOM 935 CD GLU A 64 -16.059 3.166 -1.910 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.982 2.742 -2.639 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.198 3.841 -0.867 1.00 0.00 O ATOM 0 H GLU A 64 -12.491 2.293 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.834 1.086 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.715 1.060 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.154 0.781 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.929 3.172 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.384 3.353 -3.255 1.00 0.00 H new ATOM 944 N TYR A 65 -12.722 -0.972 -3.748 1.00 0.00 N ATOM 945 CA TYR A 65 -12.547 -2.365 -4.125 1.00 0.00 C ATOM 946 C TYR A 65 -11.426 -3.016 -3.313 1.00 0.00 C ATOM 947 O TYR A 65 -11.665 -3.965 -2.568 1.00 0.00 O ATOM 948 CB TYR A 65 -12.151 -2.355 -5.603 1.00 0.00 C ATOM 949 CG TYR A 65 -11.747 -3.727 -6.147 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.482 -4.222 -5.902 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.647 -4.469 -6.884 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.102 -5.513 -6.414 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.267 -5.760 -7.396 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.013 -6.218 -7.136 1.00 0.00 C ATOM 955 OH TYR A 65 -10.654 -7.437 -7.620 1.00 0.00 O ATOM 0 H TYR A 65 -12.735 -0.317 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.461 -2.930 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.987 -1.974 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.322 -1.662 -5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.777 -3.641 -5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.636 -4.081 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.116 -5.912 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.962 -6.351 -7.974 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.405 -7.826 -8.115 1.00 0.00 H new ATOM 965 N ALA A 66 -10.226 -2.480 -3.484 1.00 0.00 N ATOM 966 CA ALA A 66 -9.068 -2.997 -2.777 1.00 0.00 C ATOM 967 C ALA A 66 -9.301 -2.877 -1.269 1.00 0.00 C ATOM 968 O ALA A 66 -8.919 -3.763 -0.506 1.00 0.00 O ATOM 969 CB ALA A 66 -7.814 -2.248 -3.234 1.00 0.00 C ATOM 0 H ALA A 66 -10.031 -1.693 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.919 -4.052 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.945 -2.636 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.677 -2.388 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.926 -1.185 -3.018 1.00 0.00 H new ATOM 975 N LEU A 67 -9.926 -1.774 -0.885 1.00 0.00 N ATOM 976 CA LEU A 67 -10.215 -1.527 0.517 1.00 0.00 C ATOM 977 C LEU A 67 -10.929 -2.744 1.109 1.00 0.00 C ATOM 978 O LEU A 67 -10.471 -3.318 2.095 1.00 0.00 O ATOM 979 CB LEU A 67 -10.991 -0.218 0.682 1.00 0.00 C ATOM 980 CG LEU A 67 -10.149 1.059 0.728 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.028 2.300 0.567 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.307 1.115 2.005 1.00 0.00 C ATOM 0 H LEU A 67 -10.240 -1.041 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.290 -1.395 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.700 -0.133 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.575 -0.278 1.600 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.457 1.043 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.405 3.194 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.546 2.257 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.760 2.335 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.718 2.032 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.964 1.098 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.639 0.255 2.038 1.00 0.00 H new ATOM 994 N ARG A 68 -12.040 -3.101 0.481 1.00 0.00 N ATOM 995 CA ARG A 68 -12.822 -4.239 0.933 1.00 0.00 C ATOM 996 C ARG A 68 -12.104 -5.546 0.590 1.00 0.00 C ATOM 997 O ARG A 68 -11.663 -6.269 1.482 1.00 0.00 O ATOM 998 CB ARG A 68 -14.210 -4.244 0.290 1.00 0.00 C ATOM 999 CG ARG A 68 -14.928 -2.913 0.524 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.148 -2.665 2.018 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.469 -2.034 2.237 1.00 0.00 N ATOM 1002 CZ ARG A 68 -16.893 -1.570 3.420 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.103 -1.663 4.498 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.107 -1.012 3.525 1.00 0.00 N ATOM 0 H ARG A 68 -12.417 -2.622 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.935 -4.155 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.118 -4.428 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.804 -5.059 0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.341 -2.099 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.888 -2.917 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.091 -3.607 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.359 -2.022 2.408 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.096 -1.947 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.179 -2.087 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.426 -1.310 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.708 -0.941 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.430 -0.659 4.426 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.009 -5.810 -0.705 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.353 -7.017 -1.177 1.00 0.00 C ATOM 1020 C LYS A 69 -10.166 -7.336 -0.266 1.00 0.00 C ATOM 1021 O LYS A 69 -10.125 -8.394 0.359 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.975 -6.879 -2.654 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.133 -7.308 -3.558 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.274 -6.290 -3.508 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.405 -6.688 -4.458 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.703 -6.178 -3.960 1.00 0.00 N ATOM 0 H LYS A 69 -12.376 -5.208 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.034 -7.866 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.705 -5.845 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.097 -7.489 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.779 -7.413 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.500 -8.286 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.657 -6.218 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.898 -5.303 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.209 -6.290 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.445 -7.773 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.460 -6.457 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.895 -6.578 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.666 -5.141 -3.894 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.228 -6.401 -0.220 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.043 -6.569 0.604 1.00 0.00 C ATOM 1042 C LEU A 70 -8.451 -6.583 2.078 1.00 0.00 C ATOM 1043 O LEU A 70 -8.256 -7.581 2.770 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.999 -5.504 0.264 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.722 -5.286 -1.225 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.828 -4.064 -1.443 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.136 -6.547 -1.863 1.00 0.00 C ATOM 0 H LEU A 70 -9.265 -5.524 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.566 -7.527 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.322 -4.557 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.062 -5.773 0.752 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.670 -5.084 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.647 -3.932 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.321 -3.177 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.878 -4.212 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.948 -6.366 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.200 -6.804 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.842 -7.371 -1.756 1.00 0.00 H new ATOM 1059 N ASP A 71 -9.008 -5.463 2.516 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.444 -5.334 3.896 1.00 0.00 C ATOM 1061 C ASP A 71 -8.759 -6.406 4.746 1.00 0.00 C ATOM 1062 O ASP A 71 -9.280 -7.510 4.898 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.957 -5.532 4.016 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.512 -5.428 5.438 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.833 -4.783 6.266 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.602 -5.996 5.665 1.00 0.00 O ATOM 0 H ASP A 71 -9.167 -4.637 1.939 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.182 -4.333 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.456 -4.790 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.213 -6.512 3.613 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.600 -6.044 5.276 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.838 -6.961 6.107 1.00 0.00 C ATOM 1073 C ASP A 72 -6.468 -8.198 5.286 1.00 0.00 C ATOM 1074 O ASP A 72 -7.321 -9.038 5.005 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.657 -7.421 7.314 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.039 -8.569 8.115 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -7.257 -9.729 7.705 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.362 -8.259 9.119 1.00 0.00 O ATOM 0 H ASP A 72 -7.170 -5.128 5.146 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.946 -6.440 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.803 -6.571 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.644 -7.729 6.968 1.00 0.00 H new ATOM 1083 N THR A 73 -5.196 -8.270 4.925 1.00 0.00 N ATOM 1084 CA THR A 73 -4.703 -9.391 4.142 1.00 0.00 C ATOM 1085 C THR A 73 -3.340 -9.849 4.666 1.00 0.00 C ATOM 1086 O THR A 73 -2.800 -9.258 5.600 1.00 0.00 O ATOM 1087 CB THR A 73 -4.677 -8.966 2.672 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.215 -7.618 2.708 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.079 -8.863 2.068 1.00 0.00 C ATOM 0 H THR A 73 -4.491 -7.571 5.160 1.00 0.00 H new ATOM 0 HA THR A 73 -5.359 -10.256 4.234 1.00 0.00 H new ATOM 0 HB THR A 73 -4.086 -9.680 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.166 -7.264 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.004 -8.558 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.573 -9.833 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.660 -8.125 2.621 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.823 -10.897 4.041 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.534 -11.441 4.433 1.00 0.00 C ATOM 1099 C LYS A 74 -0.467 -10.975 3.441 1.00 0.00 C ATOM 1100 O LYS A 74 -0.327 -11.545 2.360 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.616 -12.962 4.578 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.225 -13.570 4.768 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.319 -15.065 5.080 1.00 0.00 C ATOM 1104 CE LYS A 74 0.479 -15.888 4.067 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.831 -17.209 4.634 1.00 0.00 N ATOM 0 H LYS A 74 -3.274 -11.384 3.266 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.244 -11.066 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.247 -13.216 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.086 -13.391 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.368 -13.420 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.292 -13.057 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.058 -15.255 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.363 -15.378 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.105 -16.021 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.386 -15.352 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.372 -17.754 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.407 -17.077 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.038 -17.725 4.878 1.00 0.00 H new ATOM 1119 N PHE A 75 0.259 -9.942 3.844 1.00 0.00 N ATOM 1120 CA PHE A 75 1.310 -9.393 3.004 1.00 0.00 C ATOM 1121 C PHE A 75 2.610 -10.183 3.165 1.00 0.00 C ATOM 1122 O PHE A 75 2.881 -10.727 4.234 1.00 0.00 O ATOM 1123 CB PHE A 75 1.542 -7.952 3.463 1.00 0.00 C ATOM 1124 CG PHE A 75 2.657 -7.229 2.705 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.696 -7.276 1.346 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.610 -6.541 3.389 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.731 -6.605 0.642 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.645 -5.870 2.685 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.683 -5.916 1.326 1.00 0.00 C ATOM 0 H PHE A 75 0.140 -9.471 4.741 1.00 0.00 H new ATOM 0 HA PHE A 75 1.014 -9.444 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.615 -7.391 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.782 -7.954 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.940 -7.823 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.580 -6.505 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.762 -6.642 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.402 -5.323 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.469 -5.405 0.790 1.00 0.00 H new ATOM 1139 N ARG A 76 3.379 -10.221 2.087 1.00 0.00 N ATOM 1140 CA ARG A 76 4.644 -10.936 2.096 1.00 0.00 C ATOM 1141 C ARG A 76 5.787 -9.997 1.705 1.00 0.00 C ATOM 1142 O ARG A 76 5.837 -9.509 0.577 1.00 0.00 O ATOM 1143 CB ARG A 76 4.614 -12.121 1.128 1.00 0.00 C ATOM 1144 CG ARG A 76 5.762 -13.091 1.414 1.00 0.00 C ATOM 1145 CD ARG A 76 5.554 -14.417 0.679 1.00 0.00 C ATOM 1146 NE ARG A 76 5.891 -14.261 -0.753 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.140 -14.127 -1.221 1.00 0.00 C ATOM 1148 NH1 ARG A 76 8.177 -14.129 -0.372 1.00 0.00 N ATOM 1149 NH2 ARG A 76 7.351 -13.990 -2.537 1.00 0.00 N ATOM 0 H ARG A 76 3.151 -9.769 1.202 1.00 0.00 H new ATOM 0 HA ARG A 76 4.806 -11.311 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.661 -12.643 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.686 -11.759 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.707 -12.644 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.831 -13.272 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.178 -15.191 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.519 -14.742 0.784 1.00 0.00 H new ATOM 0 HE ARG A 76 5.125 -14.255 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.016 -14.232 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.128 -14.027 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.561 -13.988 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.301 -13.888 -2.893 1.00 0.00 H new ATOM 1163 N SER A 77 6.678 -9.771 2.660 1.00 0.00 N ATOM 1164 CA SER A 77 7.817 -8.898 2.430 1.00 0.00 C ATOM 1165 C SER A 77 8.821 -9.583 1.501 1.00 0.00 C ATOM 1166 O SER A 77 8.656 -10.752 1.156 1.00 0.00 O ATOM 1167 CB SER A 77 8.491 -8.513 3.748 1.00 0.00 C ATOM 1168 OG SER A 77 8.931 -9.656 4.477 1.00 0.00 O ATOM 0 H SER A 77 6.634 -10.177 3.595 1.00 0.00 H new ATOM 0 HA SER A 77 7.458 -7.984 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.342 -7.864 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.793 -7.940 4.358 1.00 0.00 H new ATOM 0 HG SER A 77 8.180 -10.273 4.602 1.00 0.00 H new ATOM 1174 N HIS A 78 9.840 -8.826 1.122 1.00 0.00 N ATOM 1175 CA HIS A 78 10.871 -9.345 0.240 1.00 0.00 C ATOM 1176 C HIS A 78 11.752 -10.334 1.006 1.00 0.00 C ATOM 1177 O HIS A 78 12.504 -11.098 0.403 1.00 0.00 O ATOM 1178 CB HIS A 78 11.671 -8.204 -0.392 1.00 0.00 C ATOM 1179 CG HIS A 78 13.002 -8.630 -0.963 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.320 -8.496 -2.304 1.00 0.00 N ATOM 1181 CD2 HIS A 78 14.093 -9.187 -0.362 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.549 -8.956 -2.490 1.00 0.00 C ATOM 1183 NE2 HIS A 78 15.026 -9.384 -1.286 1.00 0.00 N ATOM 0 H HIS A 78 9.974 -7.857 1.410 1.00 0.00 H new ATOM 0 HA HIS A 78 10.409 -9.887 -0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.075 -7.752 -1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.840 -7.433 0.359 1.00 0.00 H new ATOM 0 HD2 HIS A 78 14.182 -9.427 0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.080 -8.987 -3.430 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.948 -9.789 -1.122 1.00 0.00 H new ATOM 1191 N GLU A 79 11.631 -10.286 2.325 1.00 0.00 N ATOM 1192 CA GLU A 79 12.407 -11.168 3.180 1.00 0.00 C ATOM 1193 C GLU A 79 11.584 -12.401 3.557 1.00 0.00 C ATOM 1194 O GLU A 79 12.025 -13.225 4.357 1.00 0.00 O ATOM 1195 CB GLU A 79 12.895 -10.431 4.429 1.00 0.00 C ATOM 1196 CG GLU A 79 14.343 -9.965 4.260 1.00 0.00 C ATOM 1197 CD GLU A 79 15.323 -11.055 4.698 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.203 -11.492 5.863 1.00 0.00 O ATOM 1199 OE2 GLU A 79 16.171 -11.427 3.857 1.00 0.00 O ATOM 0 H GLU A 79 11.007 -9.650 2.822 1.00 0.00 H new ATOM 0 HA GLU A 79 13.286 -11.498 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.253 -9.572 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.819 -11.087 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.526 -9.704 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.510 -9.063 4.849 1.00 0.00 H new ATOM 1206 N GLY A 80 10.403 -12.489 2.964 1.00 0.00 N ATOM 1207 CA GLY A 80 9.514 -13.607 3.228 1.00 0.00 C ATOM 1208 C GLY A 80 8.535 -13.276 4.357 1.00 0.00 C ATOM 1209 O GLY A 80 7.354 -13.608 4.276 1.00 0.00 O ATOM 0 H GLY A 80 10.041 -11.804 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.960 -13.857 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.100 -14.486 3.496 1.00 0.00 H new ATOM 1213 N GLU A 81 9.063 -12.624 5.382 1.00 0.00 N ATOM 1214 CA GLU A 81 8.251 -12.244 6.526 1.00 0.00 C ATOM 1215 C GLU A 81 6.865 -11.789 6.064 1.00 0.00 C ATOM 1216 O GLU A 81 6.740 -11.089 5.060 1.00 0.00 O ATOM 1217 CB GLU A 81 8.940 -11.154 7.349 1.00 0.00 C ATOM 1218 CG GLU A 81 10.054 -11.744 8.217 1.00 0.00 C ATOM 1219 CD GLU A 81 10.958 -10.642 8.773 1.00 0.00 C ATOM 1220 OE1 GLU A 81 10.511 -9.968 9.726 1.00 0.00 O ATOM 1221 OE2 GLU A 81 12.076 -10.499 8.233 1.00 0.00 O ATOM 0 H GLU A 81 10.043 -12.349 5.445 1.00 0.00 H new ATOM 0 HA GLU A 81 8.131 -13.116 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.355 -10.398 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.207 -10.653 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.617 -12.311 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.647 -12.443 7.628 1.00 0.00 H new ATOM 1228 N THR A 82 5.859 -12.204 6.819 1.00 0.00 N ATOM 1229 CA THR A 82 4.487 -11.848 6.500 1.00 0.00 C ATOM 1230 C THR A 82 3.826 -11.153 7.692 1.00 0.00 C ATOM 1231 O THR A 82 4.233 -11.352 8.836 1.00 0.00 O ATOM 1232 CB THR A 82 3.759 -13.119 6.058 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.886 -13.997 7.172 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.487 -13.846 4.925 1.00 0.00 C ATOM 0 H THR A 82 5.967 -12.784 7.651 1.00 0.00 H new ATOM 0 HA THR A 82 4.445 -11.130 5.681 1.00 0.00 H new ATOM 0 HB THR A 82 2.749 -12.866 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.440 -14.846 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.929 -14.741 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.566 -13.186 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.486 -14.129 5.257 1.00 0.00 H new ATOM 1242 N SER A 83 2.818 -10.350 7.384 1.00 0.00 N ATOM 1243 CA SER A 83 2.096 -9.624 8.415 1.00 0.00 C ATOM 1244 C SER A 83 0.691 -9.274 7.923 1.00 0.00 C ATOM 1245 O SER A 83 0.414 -9.339 6.726 1.00 0.00 O ATOM 1246 CB SER A 83 2.847 -8.355 8.823 1.00 0.00 C ATOM 1247 OG SER A 83 2.845 -7.377 7.786 1.00 0.00 O ATOM 0 H SER A 83 2.484 -10.186 6.434 1.00 0.00 H new ATOM 0 HA SER A 83 2.017 -10.265 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.389 -7.935 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.875 -8.609 9.080 1.00 0.00 H new ATOM 0 HG SER A 83 2.395 -6.566 8.102 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.161 -8.911 8.871 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.531 -8.551 8.548 1.00 0.00 C ATOM 1255 C TYR A 84 -1.685 -7.033 8.429 1.00 0.00 C ATOM 1256 O TYR A 84 -1.627 -6.319 9.429 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.384 -9.048 9.717 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.850 -10.498 9.575 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.302 -10.961 8.356 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.820 -11.343 10.666 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.741 -12.326 8.222 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -3.259 -12.708 10.532 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.698 -13.132 9.316 1.00 0.00 C ATOM 1264 OH TYR A 84 -4.112 -14.421 9.190 1.00 0.00 O ATOM 0 H TYR A 84 0.071 -8.859 9.863 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.829 -8.990 7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.811 -8.950 10.639 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.258 -8.404 9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.326 -10.300 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.467 -10.980 11.620 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.096 -12.701 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.240 -13.380 11.377 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.024 -14.879 10.052 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.879 -6.585 7.197 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.042 -5.166 6.934 1.00 0.00 C ATOM 1276 C ILE A 85 -3.503 -4.882 6.578 1.00 0.00 C ATOM 1277 O ILE A 85 -4.081 -5.557 5.728 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.048 -4.701 5.868 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.245 -5.472 4.561 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.390 -4.798 6.380 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.892 -4.602 3.353 1.00 0.00 C ATOM 0 H ILE A 85 -1.927 -7.180 6.370 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.812 -4.584 7.827 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.243 -3.650 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.621 -6.366 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.280 -5.805 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.076 -4.462 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.505 -4.169 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.615 -5.832 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.041 -5.174 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.534 -3.721 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.150 -4.290 3.421 1.00 0.00 H new ATOM 1293 N ARG A 86 -4.058 -3.881 7.246 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.440 -3.500 7.011 1.00 0.00 C ATOM 1295 C ARG A 86 -5.517 -2.433 5.917 1.00 0.00 C ATOM 1296 O ARG A 86 -4.576 -1.664 5.727 1.00 0.00 O ATOM 1297 CB ARG A 86 -6.087 -2.959 8.288 1.00 0.00 C ATOM 1298 CG ARG A 86 -7.391 -3.698 8.597 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.605 -2.816 8.300 1.00 0.00 C ATOM 1300 NE ARG A 86 -9.349 -2.541 9.550 1.00 0.00 N ATOM 1301 CZ ARG A 86 -10.037 -3.466 10.233 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -10.081 -4.730 9.792 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.682 -3.126 11.357 1.00 0.00 N ATOM 0 H ARG A 86 -3.575 -3.322 7.950 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.981 -4.391 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.396 -3.068 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.286 -1.893 8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.446 -4.610 8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.403 -3.999 9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.282 -1.879 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.257 -3.311 7.580 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.337 -1.588 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.591 -4.989 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.605 -5.434 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.649 -2.163 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.206 -3.830 11.877 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.648 -2.420 5.226 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.861 -1.461 4.156 1.00 0.00 C ATOM 1319 C VAL A 87 -8.040 -0.555 4.516 1.00 0.00 C ATOM 1320 O VAL A 87 -9.172 -1.022 4.635 1.00 0.00 O ATOM 1321 CB VAL A 87 -7.053 -2.193 2.827 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.688 -1.291 1.646 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.244 -3.492 2.795 1.00 0.00 C ATOM 0 H VAL A 87 -7.427 -3.059 5.387 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.986 -0.823 4.036 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.108 -2.452 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.834 -1.836 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.325 -0.407 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.645 -0.987 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.398 -3.993 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.185 -3.264 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.572 -4.145 3.604 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.735 0.724 4.679 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.757 1.698 5.023 1.00 0.00 C ATOM 1335 C TYR A 88 -8.455 3.056 4.385 1.00 0.00 C ATOM 1336 O TYR A 88 -7.310 3.344 4.041 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.708 1.841 6.546 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.308 2.111 7.101 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.390 1.084 7.185 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.963 3.381 7.517 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.072 1.337 7.708 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.645 3.634 8.039 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.765 2.600 8.109 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.520 2.839 8.602 1.00 0.00 O ATOM 0 H TYR A 88 -6.795 1.108 4.579 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.734 1.373 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.369 2.654 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.098 0.929 6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.660 0.091 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.681 4.185 7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.344 0.542 7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.362 4.623 8.368 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.441 3.784 8.848 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.531 3.876 4.244 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.393 5.197 3.654 1.00 0.00 C ATOM 1356 C PRO A 89 -8.737 6.170 4.635 1.00 0.00 C ATOM 1357 O PRO A 89 -8.424 5.801 5.766 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.806 5.605 3.268 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.733 4.708 4.072 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.902 3.569 4.641 1.00 0.00 C ATOM 0 HA PRO A 89 -8.739 5.202 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.985 6.656 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.971 5.478 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.208 5.272 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.531 4.319 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.997 3.513 5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.224 2.607 4.243 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.547 7.395 4.166 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.933 8.424 4.988 1.00 0.00 C ATOM 1370 C GLU A 90 -9.001 9.371 5.538 1.00 0.00 C ATOM 1371 O GLU A 90 -9.209 10.458 5.000 1.00 0.00 O ATOM 1372 CB GLU A 90 -6.870 9.193 4.201 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.467 10.475 4.933 1.00 0.00 C ATOM 1374 CD GLU A 90 -4.945 10.585 5.046 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -4.267 9.982 4.187 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.495 11.271 5.989 1.00 0.00 O ATOM 0 H GLU A 90 -8.807 7.698 3.227 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.436 7.941 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.993 8.562 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.253 9.440 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.859 11.341 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.911 10.485 5.928 1.00 0.00 H new ATOM 1383 N ARG A 91 -9.651 8.925 6.603 1.00 0.00 N ATOM 1384 CA ARG A 91 -10.693 9.720 7.231 1.00 0.00 C ATOM 1385 C ARG A 91 -11.344 8.935 8.372 1.00 0.00 C ATOM 1386 O ARG A 91 -11.147 7.726 8.490 1.00 0.00 O ATOM 1387 CB ARG A 91 -11.767 10.119 6.218 1.00 0.00 C ATOM 1388 CG ARG A 91 -11.964 11.636 6.197 1.00 0.00 C ATOM 1389 CD ARG A 91 -13.435 11.996 5.979 1.00 0.00 C ATOM 1390 NE ARG A 91 -13.742 13.289 6.630 1.00 0.00 N ATOM 1391 CZ ARG A 91 -14.825 14.029 6.356 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -15.710 13.609 5.442 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -15.022 15.190 6.996 1.00 0.00 N ATOM 0 H ARG A 91 -9.476 8.023 7.047 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.229 10.624 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.482 9.772 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.708 9.630 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.617 12.064 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.358 12.074 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.649 12.057 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.074 11.213 6.388 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.089 13.639 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.559 12.726 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.534 14.172 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.348 15.510 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.846 15.754 6.788 1.00 0.00 H new ATOM 1407 N SER A 92 -12.106 9.654 9.183 1.00 0.00 N ATOM 1408 CA SER A 92 -12.787 9.040 10.310 1.00 0.00 C ATOM 1409 C SER A 92 -14.290 8.970 10.038 1.00 0.00 C ATOM 1410 O SER A 92 -14.922 9.987 9.754 1.00 0.00 O ATOM 1411 CB SER A 92 -12.517 9.812 11.603 1.00 0.00 C ATOM 1412 OG SER A 92 -12.680 8.993 12.758 1.00 0.00 O ATOM 0 H SER A 92 -12.267 10.656 9.082 1.00 0.00 H new ATOM 0 HA SER A 92 -12.399 8.029 10.434 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.503 10.211 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.194 10.664 11.664 1.00 0.00 H new ATOM 0 HG SER A 92 -12.497 9.522 13.563 1.00 0.00 H new ATOM 1418 N SER A 93 -14.821 7.760 10.134 1.00 0.00 N ATOM 1419 CA SER A 93 -16.239 7.543 9.901 1.00 0.00 C ATOM 1420 C SER A 93 -16.587 7.872 8.448 1.00 0.00 C ATOM 1421 O SER A 93 -16.289 8.963 7.966 1.00 0.00 O ATOM 1422 CB SER A 93 -17.088 8.387 10.854 1.00 0.00 C ATOM 1423 OG SER A 93 -17.995 7.589 11.609 1.00 0.00 O ATOM 0 H SER A 93 -14.294 6.919 10.370 1.00 0.00 H new ATOM 0 HA SER A 93 -16.461 6.493 10.092 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.435 8.934 11.533 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.646 9.128 10.282 1.00 0.00 H new ATOM 0 HG SER A 93 -18.517 8.164 12.206 1.00 0.00 H new ATOM 1429 N GLY A 94 -17.213 6.907 7.790 1.00 0.00 N ATOM 1430 CA GLY A 94 -17.604 7.080 6.402 1.00 0.00 C ATOM 1431 C GLY A 94 -18.517 8.296 6.237 1.00 0.00 C ATOM 1432 O GLY A 94 -19.533 8.412 6.921 1.00 0.00 O ATOM 0 H GLY A 94 -17.459 6.003 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.715 7.201 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.118 6.185 6.051 1.00 0.00 H new ATOM 1436 N PRO A 95 -18.111 9.196 5.301 1.00 0.00 N ATOM 1437 CA PRO A 95 -18.881 10.400 5.038 1.00 0.00 C ATOM 1438 C PRO A 95 -20.142 10.080 4.233 1.00 0.00 C ATOM 1439 O PRO A 95 -20.293 10.536 3.101 1.00 0.00 O ATOM 1440 CB PRO A 95 -17.925 11.325 4.302 1.00 0.00 C ATOM 1441 CG PRO A 95 -16.812 10.437 3.771 1.00 0.00 C ATOM 1442 CD PRO A 95 -16.914 9.092 4.473 1.00 0.00 C ATOM 0 HA PRO A 95 -19.249 10.872 5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -18.432 11.844 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -17.529 12.090 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.905 10.313 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.839 10.892 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.999 8.276 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.030 8.893 5.079 1.00 0.00 H new ATOM 1450 N SER A 96 -21.016 9.298 4.849 1.00 0.00 N ATOM 1451 CA SER A 96 -22.259 8.911 4.204 1.00 0.00 C ATOM 1452 C SER A 96 -22.005 8.583 2.732 1.00 0.00 C ATOM 1453 O SER A 96 -22.059 9.465 1.877 1.00 0.00 O ATOM 1454 CB SER A 96 -23.311 10.016 4.328 1.00 0.00 C ATOM 1455 OG SER A 96 -23.537 10.388 5.685 1.00 0.00 O ATOM 0 H SER A 96 -20.888 8.922 5.788 1.00 0.00 H new ATOM 0 HA SER A 96 -22.643 8.023 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 96 -22.988 10.889 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 96 -24.247 9.677 3.884 1.00 0.00 H new ATOM 0 HG SER A 96 -24.213 11.096 5.722 1.00 0.00 H new ATOM 1461 N SER A 97 -21.732 7.311 2.481 1.00 0.00 N ATOM 1462 CA SER A 97 -21.469 6.855 1.127 1.00 0.00 C ATOM 1463 C SER A 97 -22.747 6.936 0.290 1.00 0.00 C ATOM 1464 O SER A 97 -23.851 6.929 0.833 1.00 0.00 O ATOM 1465 CB SER A 97 -20.922 5.426 1.123 1.00 0.00 C ATOM 1466 OG SER A 97 -21.012 4.823 -0.165 1.00 0.00 O ATOM 0 H SER A 97 -21.687 6.582 3.193 1.00 0.00 H new ATOM 0 HA SER A 97 -20.713 7.506 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.881 5.435 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.475 4.824 1.844 1.00 0.00 H new ATOM 0 HG SER A 97 -20.651 3.913 -0.126 1.00 0.00 H new ATOM 1472 N GLY A 98 -22.556 7.011 -1.019 1.00 0.00 N ATOM 1473 CA GLY A 98 -23.680 7.094 -1.937 1.00 0.00 C ATOM 1474 C GLY A 98 -23.255 7.714 -3.269 1.00 0.00 C ATOM 1475 O GLY A 98 -22.111 7.559 -3.694 1.00 0.00 O ATOM 0 H GLY A 98 -21.639 7.016 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -24.088 6.098 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.475 7.691 -1.491 1.00 0.00 H new TER 1479 GLY A 98