USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=30 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 52 MET CE :methyl 145:sc= 0 (180deg=-0.917) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 SER OG : rot 100:sc= -0.907 USER MOD Set 2.2: A 77 SER OG : rot -82:sc= 0.533 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 THR OG1 : rot -170:sc= 0.0589 USER MOD Set 4.1: A 36 MET CE :methyl -163:sc= -6.68 (180deg=-7.34!) USER MOD Set 4.2: A 57 TYR OH : rot -20:sc= -0.905 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0662 K(o=-0.066,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.014) USER MOD Single : A 43 CYS SG : rot -12:sc= 0.385 USER MOD Single : A 44 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.09) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -174:sc= -7.23! (180deg=-7.85!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -154:sc= -1.68! (180deg=-3.57!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0754) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -2.06 F(o=-4.1!,f=-2.1) USER MOD Single : A 83 SER OG : rot -140:sc= -1.48 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.030 4.860 -0.347 1.00 0.00 N ATOM 2 CA GLY A 1 13.521 5.653 0.767 1.00 0.00 C ATOM 3 C GLY A 1 13.646 7.128 0.376 1.00 0.00 C ATOM 4 O GLY A 1 14.096 7.446 -0.724 1.00 0.00 O ATOM 0 H1 GLY A 1 13.583 3.982 -0.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.028 4.627 -0.192 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.127 5.403 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.844 5.554 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.491 5.274 1.088 1.00 0.00 H new ATOM 8 N SER A 2 13.240 7.988 1.299 1.00 0.00 N ATOM 9 CA SER A 2 13.301 9.420 1.065 1.00 0.00 C ATOM 10 C SER A 2 12.467 9.786 -0.165 1.00 0.00 C ATOM 11 O SER A 2 12.941 9.680 -1.295 1.00 0.00 O ATOM 12 CB SER A 2 14.747 9.888 0.883 1.00 0.00 C ATOM 13 OG SER A 2 15.572 9.508 1.981 1.00 0.00 O ATOM 0 H SER A 2 12.868 7.720 2.210 1.00 0.00 H new ATOM 0 HA SER A 2 12.891 9.926 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.151 9.467 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.766 10.972 0.773 1.00 0.00 H new ATOM 0 HG SER A 2 16.487 9.823 1.827 1.00 0.00 H new ATOM 19 N SER A 3 11.239 10.208 0.098 1.00 0.00 N ATOM 20 CA SER A 3 10.334 10.590 -0.973 1.00 0.00 C ATOM 21 C SER A 3 10.541 12.062 -1.334 1.00 0.00 C ATOM 22 O SER A 3 10.034 12.950 -0.649 1.00 0.00 O ATOM 23 CB SER A 3 8.877 10.340 -0.579 1.00 0.00 C ATOM 24 OG SER A 3 7.966 10.918 -1.509 1.00 0.00 O ATOM 0 H SER A 3 10.849 10.294 1.037 1.00 0.00 H new ATOM 0 HA SER A 3 10.557 9.974 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.698 9.267 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.694 10.753 0.413 1.00 0.00 H new ATOM 0 HG SER A 3 7.047 10.735 -1.223 1.00 0.00 H new ATOM 30 N GLY A 4 11.288 12.277 -2.407 1.00 0.00 N ATOM 31 CA GLY A 4 11.568 13.627 -2.866 1.00 0.00 C ATOM 32 C GLY A 4 10.575 14.055 -3.948 1.00 0.00 C ATOM 33 O GLY A 4 9.965 13.212 -4.605 1.00 0.00 O ATOM 0 H GLY A 4 11.708 11.539 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.516 14.319 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.584 13.678 -3.259 1.00 0.00 H new ATOM 37 N SER A 5 10.443 15.365 -4.100 1.00 0.00 N ATOM 38 CA SER A 5 9.534 15.915 -5.091 1.00 0.00 C ATOM 39 C SER A 5 9.692 17.435 -5.159 1.00 0.00 C ATOM 40 O SER A 5 9.300 18.146 -4.235 1.00 0.00 O ATOM 41 CB SER A 5 8.084 15.546 -4.773 1.00 0.00 C ATOM 42 OG SER A 5 7.255 15.590 -5.932 1.00 0.00 O ATOM 0 H SER A 5 10.950 16.061 -3.554 1.00 0.00 H new ATOM 0 HA SER A 5 9.785 15.486 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.051 14.546 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.692 16.231 -4.021 1.00 0.00 H new ATOM 0 HG SER A 5 6.382 15.196 -5.725 1.00 0.00 H new ATOM 48 N SER A 6 10.268 17.890 -6.263 1.00 0.00 N ATOM 49 CA SER A 6 10.483 19.313 -6.463 1.00 0.00 C ATOM 50 C SER A 6 9.162 20.068 -6.309 1.00 0.00 C ATOM 51 O SER A 6 8.141 19.660 -6.861 1.00 0.00 O ATOM 52 CB SER A 6 11.095 19.589 -7.838 1.00 0.00 C ATOM 53 OG SER A 6 11.224 20.984 -8.094 1.00 0.00 O ATOM 0 H SER A 6 10.592 17.298 -7.028 1.00 0.00 H new ATOM 0 HA SER A 6 11.185 19.663 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.075 19.117 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.473 19.135 -8.609 1.00 0.00 H new ATOM 0 HG SER A 6 11.620 21.119 -8.980 1.00 0.00 H new ATOM 59 N GLY A 7 9.224 21.157 -5.556 1.00 0.00 N ATOM 60 CA GLY A 7 8.045 21.973 -5.322 1.00 0.00 C ATOM 61 C GLY A 7 7.566 21.843 -3.875 1.00 0.00 C ATOM 62 O GLY A 7 8.029 22.568 -2.997 1.00 0.00 O ATOM 0 H GLY A 7 10.072 21.493 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.271 23.016 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.248 21.670 -6.001 1.00 0.00 H new ATOM 66 N GLY A 8 6.644 20.913 -3.672 1.00 0.00 N ATOM 67 CA GLY A 8 6.097 20.678 -2.347 1.00 0.00 C ATOM 68 C GLY A 8 5.387 19.325 -2.279 1.00 0.00 C ATOM 69 O GLY A 8 6.023 18.295 -2.061 1.00 0.00 O ATOM 0 H GLY A 8 6.262 20.313 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.898 20.710 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.397 21.473 -2.093 1.00 0.00 H new ATOM 73 N PRO A 9 4.042 19.372 -2.475 1.00 0.00 N ATOM 74 CA PRO A 9 3.237 18.162 -2.438 1.00 0.00 C ATOM 75 C PRO A 9 3.429 17.337 -3.712 1.00 0.00 C ATOM 76 O PRO A 9 3.749 17.883 -4.767 1.00 0.00 O ATOM 77 CB PRO A 9 1.808 18.645 -2.253 1.00 0.00 C ATOM 78 CG PRO A 9 1.808 20.110 -2.658 1.00 0.00 C ATOM 79 CD PRO A 9 3.254 20.573 -2.736 1.00 0.00 C ATOM 0 HA PRO A 9 3.524 17.491 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.118 18.069 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.486 18.526 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.313 20.240 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.255 20.706 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.483 20.992 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.461 21.350 -2.000 1.00 0.00 H new ATOM 87 N PRO A 10 3.221 16.001 -3.568 1.00 0.00 N ATOM 88 CA PRO A 10 3.368 15.095 -4.695 1.00 0.00 C ATOM 89 C PRO A 10 2.179 15.212 -5.651 1.00 0.00 C ATOM 90 O PRO A 10 1.110 15.681 -5.263 1.00 0.00 O ATOM 91 CB PRO A 10 3.497 13.713 -4.075 1.00 0.00 C ATOM 92 CG PRO A 10 2.954 13.839 -2.660 1.00 0.00 C ATOM 93 CD PRO A 10 2.842 15.319 -2.334 1.00 0.00 C ATOM 0 HA PRO A 10 4.239 15.325 -5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.933 12.975 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.536 13.384 -4.067 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.980 13.356 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.616 13.341 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.828 15.582 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.502 15.594 -1.511 1.00 0.00 H new ATOM 101 N THR A 11 2.406 14.779 -6.883 1.00 0.00 N ATOM 102 CA THR A 11 1.367 14.830 -7.897 1.00 0.00 C ATOM 103 C THR A 11 0.042 14.318 -7.329 1.00 0.00 C ATOM 104 O THR A 11 0.027 13.419 -6.491 1.00 0.00 O ATOM 105 CB THR A 11 1.854 14.038 -9.112 1.00 0.00 C ATOM 106 OG1 THR A 11 0.906 14.347 -10.131 1.00 0.00 O ATOM 107 CG2 THR A 11 1.714 12.526 -8.920 1.00 0.00 C ATOM 0 H THR A 11 3.294 14.391 -7.201 1.00 0.00 H new ATOM 0 HA THR A 11 1.174 15.855 -8.215 1.00 0.00 H new ATOM 0 HB THR A 11 2.897 14.284 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.147 13.876 -10.956 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.074 12.011 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.302 12.213 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.666 12.276 -8.755 1.00 0.00 H new ATOM 115 N ARG A 12 -1.040 14.914 -7.809 1.00 0.00 N ATOM 116 CA ARG A 12 -2.368 14.530 -7.360 1.00 0.00 C ATOM 117 C ARG A 12 -3.371 14.643 -8.510 1.00 0.00 C ATOM 118 O ARG A 12 -4.024 15.673 -8.669 1.00 0.00 O ATOM 119 CB ARG A 12 -2.832 15.410 -6.198 1.00 0.00 C ATOM 120 CG ARG A 12 -2.299 14.884 -4.864 1.00 0.00 C ATOM 121 CD ARG A 12 -3.386 14.125 -4.100 1.00 0.00 C ATOM 122 NE ARG A 12 -2.978 13.941 -2.690 1.00 0.00 N ATOM 123 CZ ARG A 12 -2.856 14.941 -1.806 1.00 0.00 C ATOM 124 NH1 ARG A 12 -3.110 16.202 -2.182 1.00 0.00 N ATOM 125 NH2 ARG A 12 -2.481 14.681 -0.547 1.00 0.00 N ATOM 0 H ARG A 12 -1.024 15.660 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.317 13.496 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.489 16.433 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.921 15.440 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.448 14.226 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.938 15.716 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.326 14.675 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.560 13.155 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.777 12.993 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.396 16.401 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.017 16.963 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.288 13.721 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.388 15.443 0.125 1.00 0.00 H new ATOM 139 N ARG A 13 -3.461 13.570 -9.282 1.00 0.00 N ATOM 140 CA ARG A 13 -4.373 13.536 -10.413 1.00 0.00 C ATOM 141 C ARG A 13 -5.787 13.188 -9.943 1.00 0.00 C ATOM 142 O ARG A 13 -6.768 13.564 -10.584 1.00 0.00 O ATOM 143 CB ARG A 13 -3.922 12.510 -11.454 1.00 0.00 C ATOM 144 CG ARG A 13 -2.453 12.720 -11.829 1.00 0.00 C ATOM 145 CD ARG A 13 -1.877 11.473 -12.504 1.00 0.00 C ATOM 146 NE ARG A 13 -1.792 11.682 -13.966 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.878 12.459 -14.562 1.00 0.00 C ATOM 148 NH1 ARG A 13 0.035 13.105 -13.825 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.876 12.589 -15.896 1.00 0.00 N ATOM 0 H ARG A 13 -2.917 12.718 -9.147 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.371 14.525 -10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.061 11.503 -11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.544 12.593 -12.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.363 13.575 -12.499 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.875 12.954 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.888 11.256 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.506 10.609 -12.288 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.472 11.204 -14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.034 13.005 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.731 13.697 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.571 12.096 -16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.180 13.181 -16.350 1.00 0.00 H new ATOM 163 N SER A 14 -5.847 12.475 -8.829 1.00 0.00 N ATOM 164 CA SER A 14 -7.125 12.072 -8.266 1.00 0.00 C ATOM 165 C SER A 14 -7.106 12.246 -6.746 1.00 0.00 C ATOM 166 O SER A 14 -6.173 12.830 -6.196 1.00 0.00 O ATOM 167 CB SER A 14 -7.455 10.623 -8.630 1.00 0.00 C ATOM 168 OG SER A 14 -7.432 10.408 -10.038 1.00 0.00 O ATOM 0 H SER A 14 -5.031 12.166 -8.300 1.00 0.00 H new ATOM 0 HA SER A 14 -7.901 12.710 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.739 9.956 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.440 10.367 -8.240 1.00 0.00 H new ATOM 0 HG SER A 14 -7.646 9.471 -10.229 1.00 0.00 H new ATOM 174 N ASP A 15 -8.147 11.730 -6.110 1.00 0.00 N ATOM 175 CA ASP A 15 -8.262 11.822 -4.665 1.00 0.00 C ATOM 176 C ASP A 15 -8.824 10.508 -4.118 1.00 0.00 C ATOM 177 O ASP A 15 -9.950 10.467 -3.625 1.00 0.00 O ATOM 178 CB ASP A 15 -9.214 12.948 -4.258 1.00 0.00 C ATOM 179 CG ASP A 15 -8.964 14.288 -4.952 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.930 14.912 -4.627 1.00 0.00 O ATOM 181 OD2 ASP A 15 -9.811 14.659 -5.793 1.00 0.00 O ATOM 0 H ASP A 15 -8.919 11.247 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.270 12.025 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.236 12.633 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.140 13.095 -3.180 1.00 0.00 H new ATOM 186 N PHE A 16 -8.013 9.465 -4.223 1.00 0.00 N ATOM 187 CA PHE A 16 -8.415 8.153 -3.745 1.00 0.00 C ATOM 188 C PHE A 16 -7.194 7.299 -3.398 1.00 0.00 C ATOM 189 O PHE A 16 -6.505 6.803 -4.288 1.00 0.00 O ATOM 190 CB PHE A 16 -9.187 7.480 -4.882 1.00 0.00 C ATOM 191 CG PHE A 16 -10.147 8.415 -5.620 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.319 8.784 -5.038 1.00 0.00 C ATOM 193 CD2 PHE A 16 -9.828 8.876 -6.859 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.210 9.652 -5.724 1.00 0.00 C ATOM 195 CE2 PHE A 16 -10.719 9.744 -7.545 1.00 0.00 C ATOM 196 CZ PHE A 16 -11.891 10.113 -6.963 1.00 0.00 C ATOM 0 H PHE A 16 -7.079 9.502 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.022 8.254 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.475 7.069 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.753 6.641 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.573 8.417 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -8.897 8.582 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.141 9.946 -5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.465 10.111 -8.529 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.569 10.772 -7.485 1.00 0.00 H new ATOM 206 N ARG A 17 -6.963 7.152 -2.101 1.00 0.00 N ATOM 207 CA ARG A 17 -5.838 6.366 -1.625 1.00 0.00 C ATOM 208 C ARG A 17 -6.265 5.486 -0.449 1.00 0.00 C ATOM 209 O ARG A 17 -7.315 5.712 0.151 1.00 0.00 O ATOM 210 CB ARG A 17 -4.683 7.268 -1.186 1.00 0.00 C ATOM 211 CG ARG A 17 -5.039 8.031 0.091 1.00 0.00 C ATOM 212 CD ARG A 17 -4.005 9.121 0.384 1.00 0.00 C ATOM 213 NE ARG A 17 -4.365 9.838 1.628 1.00 0.00 N ATOM 214 CZ ARG A 17 -5.408 10.672 1.739 1.00 0.00 C ATOM 215 NH1 ARG A 17 -6.200 10.899 0.682 1.00 0.00 N ATOM 216 NH2 ARG A 17 -5.658 11.280 2.907 1.00 0.00 N ATOM 0 H ARG A 17 -7.537 7.564 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.500 5.737 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.790 6.666 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.445 7.974 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.027 8.480 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.090 7.338 0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.015 8.677 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.957 9.822 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.783 9.688 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.009 10.437 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.994 11.534 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.054 11.108 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.452 11.915 2.992 1.00 0.00 H new ATOM 230 N VAL A 18 -5.429 4.501 -0.154 1.00 0.00 N ATOM 231 CA VAL A 18 -5.707 3.586 0.940 1.00 0.00 C ATOM 232 C VAL A 18 -4.545 3.619 1.935 1.00 0.00 C ATOM 233 O VAL A 18 -3.382 3.596 1.536 1.00 0.00 O ATOM 234 CB VAL A 18 -5.985 2.184 0.392 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.248 2.174 -0.472 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.782 1.652 -0.388 1.00 0.00 C ATOM 0 H VAL A 18 -4.559 4.317 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.604 3.895 1.477 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.154 1.520 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.423 1.166 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.102 2.490 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.120 2.858 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.006 0.655 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.567 2.318 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.914 1.604 0.270 1.00 0.00 H new ATOM 246 N LEU A 19 -4.901 3.674 3.210 1.00 0.00 N ATOM 247 CA LEU A 19 -3.902 3.711 4.264 1.00 0.00 C ATOM 248 C LEU A 19 -3.644 2.289 4.767 1.00 0.00 C ATOM 249 O LEU A 19 -4.530 1.661 5.344 1.00 0.00 O ATOM 250 CB LEU A 19 -4.322 4.686 5.366 1.00 0.00 C ATOM 251 CG LEU A 19 -4.734 6.085 4.903 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.743 6.636 3.876 1.00 0.00 C ATOM 253 CD2 LEU A 19 -6.169 6.086 4.372 1.00 0.00 C ATOM 0 H LEU A 19 -5.867 3.694 3.537 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.955 4.090 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.155 4.246 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.495 4.786 6.069 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.709 6.752 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.059 7.631 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.750 6.694 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.713 5.976 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.437 7.092 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.245 5.402 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.849 5.765 5.161 1.00 0.00 H new ATOM 265 N VAL A 20 -2.427 1.823 4.529 1.00 0.00 N ATOM 266 CA VAL A 20 -2.042 0.487 4.950 1.00 0.00 C ATOM 267 C VAL A 20 -1.349 0.566 6.312 1.00 0.00 C ATOM 268 O VAL A 20 -0.482 1.413 6.523 1.00 0.00 O ATOM 269 CB VAL A 20 -1.174 -0.171 3.875 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.666 -1.537 4.340 1.00 0.00 C ATOM 271 CG2 VAL A 20 -1.935 -0.290 2.553 1.00 0.00 C ATOM 0 H VAL A 20 -1.695 2.347 4.050 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.923 -0.144 5.069 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.308 0.469 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.052 -1.983 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.069 -1.415 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.514 -2.188 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.296 -0.761 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.828 -0.897 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.224 0.703 2.209 1.00 0.00 H new ATOM 281 N SER A 21 -1.756 -0.328 7.200 1.00 0.00 N ATOM 282 CA SER A 21 -1.185 -0.370 8.536 1.00 0.00 C ATOM 283 C SER A 21 -0.958 -1.821 8.963 1.00 0.00 C ATOM 284 O SER A 21 -1.770 -2.695 8.662 1.00 0.00 O ATOM 285 CB SER A 21 -2.088 0.345 9.544 1.00 0.00 C ATOM 286 OG SER A 21 -3.121 -0.507 10.032 1.00 0.00 O ATOM 0 H SER A 21 -2.475 -1.029 7.021 1.00 0.00 H new ATOM 0 HA SER A 21 -0.227 0.150 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.487 0.702 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.533 1.222 9.074 1.00 0.00 H new ATOM 0 HG SER A 21 -3.675 -0.015 10.674 1.00 0.00 H new ATOM 292 N GLY A 22 0.150 -2.034 9.657 1.00 0.00 N ATOM 293 CA GLY A 22 0.494 -3.365 10.128 1.00 0.00 C ATOM 294 C GLY A 22 1.473 -4.049 9.172 1.00 0.00 C ATOM 295 O GLY A 22 1.413 -5.263 8.980 1.00 0.00 O ATOM 0 H GLY A 22 0.821 -1.307 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.936 -3.300 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.410 -3.967 10.220 1.00 0.00 H new ATOM 299 N LEU A 23 2.351 -3.241 8.596 1.00 0.00 N ATOM 300 CA LEU A 23 3.341 -3.754 7.664 1.00 0.00 C ATOM 301 C LEU A 23 4.521 -4.331 8.447 1.00 0.00 C ATOM 302 O LEU A 23 4.751 -3.958 9.596 1.00 0.00 O ATOM 303 CB LEU A 23 3.740 -2.672 6.658 1.00 0.00 C ATOM 304 CG LEU A 23 2.781 -2.461 5.485 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.774 -0.997 5.040 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.110 -3.409 4.330 1.00 0.00 C ATOM 0 H LEU A 23 2.397 -2.235 8.757 1.00 0.00 H new ATOM 0 HA LEU A 23 2.922 -4.568 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.843 -1.727 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.723 -2.921 6.258 1.00 0.00 H new ATOM 0 HG LEU A 23 1.772 -2.701 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.084 -0.874 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.456 -0.366 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.777 -0.707 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.413 -3.238 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.128 -3.224 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.024 -4.441 4.670 1.00 0.00 H new ATOM 318 N PRO A 24 5.258 -5.257 7.777 1.00 0.00 N ATOM 319 CA PRO A 24 6.410 -5.890 8.397 1.00 0.00 C ATOM 320 C PRO A 24 7.600 -4.930 8.451 1.00 0.00 C ATOM 321 O PRO A 24 7.556 -3.847 7.869 1.00 0.00 O ATOM 322 CB PRO A 24 6.681 -7.126 7.555 1.00 0.00 C ATOM 323 CG PRO A 24 5.970 -6.893 6.232 1.00 0.00 C ATOM 324 CD PRO A 24 5.016 -5.724 6.415 1.00 0.00 C ATOM 0 HA PRO A 24 6.230 -6.165 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.751 -7.269 7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.306 -8.024 8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.691 -6.677 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.425 -7.787 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.210 -4.937 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.980 -6.034 6.281 1.00 0.00 H new ATOM 332 N PRO A 25 8.664 -5.373 9.173 1.00 0.00 N ATOM 333 CA PRO A 25 9.864 -4.566 9.310 1.00 0.00 C ATOM 334 C PRO A 25 10.688 -4.585 8.021 1.00 0.00 C ATOM 335 O PRO A 25 11.545 -3.727 7.816 1.00 0.00 O ATOM 336 CB PRO A 25 10.605 -5.161 10.497 1.00 0.00 C ATOM 337 CG PRO A 25 10.032 -6.556 10.689 1.00 0.00 C ATOM 338 CD PRO A 25 8.751 -6.650 9.876 1.00 0.00 C ATOM 0 HA PRO A 25 9.645 -3.512 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.678 -5.202 10.307 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.462 -4.554 11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.747 -7.311 10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.829 -6.744 11.743 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.786 -7.485 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.885 -6.808 10.519 1.00 0.00 H new ATOM 346 N SER A 26 10.398 -5.572 7.186 1.00 0.00 N ATOM 347 CA SER A 26 11.101 -5.714 5.923 1.00 0.00 C ATOM 348 C SER A 26 10.186 -5.308 4.766 1.00 0.00 C ATOM 349 O SER A 26 10.660 -4.987 3.677 1.00 0.00 O ATOM 350 CB SER A 26 11.600 -7.147 5.727 1.00 0.00 C ATOM 351 OG SER A 26 11.917 -7.421 4.365 1.00 0.00 O ATOM 0 H SER A 26 9.686 -6.281 7.360 1.00 0.00 H new ATOM 0 HA SER A 26 11.969 -5.055 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.483 -7.311 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.837 -7.846 6.069 1.00 0.00 H new ATOM 0 HG SER A 26 12.886 -7.354 4.235 1.00 0.00 H new ATOM 357 N GLY A 27 8.890 -5.335 5.041 1.00 0.00 N ATOM 358 CA GLY A 27 7.904 -4.975 4.037 1.00 0.00 C ATOM 359 C GLY A 27 8.395 -3.805 3.182 1.00 0.00 C ATOM 360 O GLY A 27 9.039 -2.888 3.689 1.00 0.00 O ATOM 0 H GLY A 27 8.500 -5.601 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.698 -5.835 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.966 -4.707 4.523 1.00 0.00 H new ATOM 364 N SER A 28 8.072 -3.874 1.899 1.00 0.00 N ATOM 365 CA SER A 28 8.472 -2.832 0.969 1.00 0.00 C ATOM 366 C SER A 28 7.250 -2.311 0.210 1.00 0.00 C ATOM 367 O SER A 28 6.164 -2.880 0.309 1.00 0.00 O ATOM 368 CB SER A 28 9.527 -3.346 -0.013 1.00 0.00 C ATOM 369 OG SER A 28 10.851 -3.045 0.420 1.00 0.00 O ATOM 0 H SER A 28 7.538 -4.636 1.481 1.00 0.00 H new ATOM 0 HA SER A 28 8.913 -2.015 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.420 -4.425 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.356 -2.902 -0.994 1.00 0.00 H new ATOM 0 HG SER A 28 11.495 -3.391 -0.233 1.00 0.00 H new ATOM 375 N TRP A 29 7.468 -1.234 -0.531 1.00 0.00 N ATOM 376 CA TRP A 29 6.398 -0.630 -1.306 1.00 0.00 C ATOM 377 C TRP A 29 6.173 -1.489 -2.551 1.00 0.00 C ATOM 378 O TRP A 29 5.038 -1.839 -2.871 1.00 0.00 O ATOM 379 CB TRP A 29 6.717 0.830 -1.636 1.00 0.00 C ATOM 380 CG TRP A 29 8.020 1.021 -2.416 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.205 1.441 -1.953 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.221 0.780 -3.825 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.152 1.488 -2.956 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.534 1.074 -4.130 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.323 0.329 -4.808 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.068 0.949 -5.419 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.872 0.210 -6.091 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.192 0.502 -6.415 1.00 0.00 C ATOM 0 H TRP A 29 8.370 -0.764 -0.611 1.00 0.00 H new ATOM 0 HA TRP A 29 5.473 -0.603 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.894 1.249 -2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.775 1.398 -0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.395 1.709 -0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.126 1.774 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.292 0.093 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.100 1.185 -5.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.224 -0.133 -6.884 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.540 0.384 -7.431 1.00 0.00 H new ATOM 399 N GLN A 30 7.272 -1.804 -3.221 1.00 0.00 N ATOM 400 CA GLN A 30 7.209 -2.615 -4.424 1.00 0.00 C ATOM 401 C GLN A 30 6.279 -3.811 -4.210 1.00 0.00 C ATOM 402 O GLN A 30 5.271 -3.950 -4.901 1.00 0.00 O ATOM 403 CB GLN A 30 8.605 -3.075 -4.849 1.00 0.00 C ATOM 404 CG GLN A 30 8.767 -3.003 -6.369 1.00 0.00 C ATOM 405 CD GLN A 30 8.182 -4.246 -7.043 1.00 0.00 C ATOM 406 OE1 GLN A 30 7.892 -5.248 -6.410 1.00 0.00 O ATOM 407 NE2 GLN A 30 8.026 -4.125 -8.358 1.00 0.00 N ATOM 0 H GLN A 30 8.212 -1.512 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 30 6.803 -2.004 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.359 -2.451 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.774 -4.097 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.270 -2.111 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.823 -2.911 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.290 -3.257 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.643 -4.900 -8.900 1.00 0.00 H new ATOM 416 N ASP A 31 6.651 -4.644 -3.249 1.00 0.00 N ATOM 417 CA ASP A 31 5.863 -5.824 -2.935 1.00 0.00 C ATOM 418 C ASP A 31 4.436 -5.399 -2.582 1.00 0.00 C ATOM 419 O ASP A 31 3.471 -6.006 -3.045 1.00 0.00 O ATOM 420 CB ASP A 31 6.445 -6.571 -1.733 1.00 0.00 C ATOM 421 CG ASP A 31 7.600 -7.519 -2.059 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.443 -8.294 -3.027 1.00 0.00 O ATOM 423 OD2 ASP A 31 8.615 -7.449 -1.332 1.00 0.00 O ATOM 0 H ASP A 31 7.488 -4.525 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 31 5.874 -6.479 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.790 -5.840 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.648 -7.143 -1.259 1.00 0.00 H new ATOM 428 N LEU A 32 4.347 -4.360 -1.765 1.00 0.00 N ATOM 429 CA LEU A 32 3.054 -3.847 -1.344 1.00 0.00 C ATOM 430 C LEU A 32 2.210 -3.530 -2.580 1.00 0.00 C ATOM 431 O LEU A 32 1.075 -3.990 -2.696 1.00 0.00 O ATOM 432 CB LEU A 32 3.231 -2.658 -0.398 1.00 0.00 C ATOM 433 CG LEU A 32 1.971 -1.841 -0.105 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.159 -0.970 1.139 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.555 -1.016 -1.325 1.00 0.00 C ATOM 0 H LEU A 32 5.149 -3.859 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 32 2.513 -4.601 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.629 -3.027 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.982 -1.991 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 32 1.157 -2.534 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.249 -0.400 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.371 -1.605 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.991 -0.284 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.657 -0.445 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.360 -0.332 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.351 -1.683 -2.163 1.00 0.00 H new ATOM 447 N LYS A 33 2.796 -2.746 -3.473 1.00 0.00 N ATOM 448 CA LYS A 33 2.112 -2.361 -4.696 1.00 0.00 C ATOM 449 C LYS A 33 1.594 -3.616 -5.401 1.00 0.00 C ATOM 450 O LYS A 33 0.387 -3.793 -5.555 1.00 0.00 O ATOM 451 CB LYS A 33 3.022 -1.496 -5.569 1.00 0.00 C ATOM 452 CG LYS A 33 2.213 -0.746 -6.629 1.00 0.00 C ATOM 453 CD LYS A 33 3.127 -0.181 -7.719 1.00 0.00 C ATOM 454 CE LYS A 33 2.673 1.216 -8.145 1.00 0.00 C ATOM 455 NZ LYS A 33 3.842 2.066 -8.462 1.00 0.00 N ATOM 0 H LYS A 33 3.738 -2.367 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 33 1.245 -1.741 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.560 -0.783 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.770 -2.123 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.481 -1.419 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.656 0.065 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.153 -0.138 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.125 -0.847 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.022 1.143 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.088 1.674 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.516 3.011 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.449 2.150 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.384 1.636 -9.238 1.00 0.00 H new ATOM 469 N ASP A 34 2.534 -4.456 -5.812 1.00 0.00 N ATOM 470 CA ASP A 34 2.188 -5.689 -6.497 1.00 0.00 C ATOM 471 C ASP A 34 0.972 -6.321 -5.818 1.00 0.00 C ATOM 472 O ASP A 34 0.189 -7.019 -6.462 1.00 0.00 O ATOM 473 CB ASP A 34 3.339 -6.695 -6.437 1.00 0.00 C ATOM 474 CG ASP A 34 4.602 -6.278 -7.194 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.476 -5.385 -8.059 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.664 -6.863 -6.890 1.00 0.00 O ATOM 0 H ASP A 34 3.535 -4.306 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 34 1.975 -5.447 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.599 -6.865 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.991 -7.647 -6.838 1.00 0.00 H new ATOM 481 N HIS A 35 0.851 -6.055 -4.526 1.00 0.00 N ATOM 482 CA HIS A 35 -0.257 -6.589 -3.752 1.00 0.00 C ATOM 483 C HIS A 35 -1.466 -5.659 -3.876 1.00 0.00 C ATOM 484 O HIS A 35 -2.553 -6.096 -4.249 1.00 0.00 O ATOM 485 CB HIS A 35 0.160 -6.828 -2.299 1.00 0.00 C ATOM 486 CG HIS A 35 -0.871 -7.564 -1.477 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.618 -8.784 -0.875 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.158 -7.239 -1.163 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.711 -9.167 -0.232 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.664 -8.209 -0.412 1.00 0.00 N ATOM 0 H HIS A 35 1.502 -5.476 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.548 -7.561 -4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.091 -7.395 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.366 -5.867 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.677 -6.344 -1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.827 -10.079 0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.610 -8.234 -0.032 1.00 0.00 H new ATOM 498 N MET A 36 -1.234 -4.395 -3.557 1.00 0.00 N ATOM 499 CA MET A 36 -2.290 -3.399 -3.628 1.00 0.00 C ATOM 500 C MET A 36 -2.898 -3.345 -5.031 1.00 0.00 C ATOM 501 O MET A 36 -4.113 -3.224 -5.181 1.00 0.00 O ATOM 502 CB MET A 36 -1.723 -2.026 -3.264 1.00 0.00 C ATOM 503 CG MET A 36 -1.442 -1.930 -1.763 1.00 0.00 C ATOM 504 SD MET A 36 -2.942 -2.222 -0.841 1.00 0.00 S ATOM 505 CE MET A 36 -4.135 -1.490 -1.949 1.00 0.00 C ATOM 0 H MET A 36 -0.330 -4.037 -3.249 1.00 0.00 H new ATOM 0 HA MET A 36 -3.073 -3.676 -2.923 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.804 -1.849 -3.822 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.428 -1.248 -3.556 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.683 -2.659 -1.479 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.043 -0.945 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.067 -1.311 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.747 -0.545 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.320 -2.167 -2.783 1.00 0.00 H new ATOM 515 N ARG A 37 -2.025 -3.436 -6.024 1.00 0.00 N ATOM 516 CA ARG A 37 -2.461 -3.398 -7.410 1.00 0.00 C ATOM 517 C ARG A 37 -3.753 -4.200 -7.582 1.00 0.00 C ATOM 518 O ARG A 37 -4.553 -3.911 -8.471 1.00 0.00 O ATOM 519 CB ARG A 37 -1.388 -3.968 -8.340 1.00 0.00 C ATOM 520 CG ARG A 37 -0.051 -3.250 -8.140 1.00 0.00 C ATOM 521 CD ARG A 37 0.348 -2.475 -9.397 1.00 0.00 C ATOM 522 NE ARG A 37 0.507 -3.405 -10.536 1.00 0.00 N ATOM 523 CZ ARG A 37 1.532 -4.256 -10.675 1.00 0.00 C ATOM 524 NH1 ARG A 37 2.497 -4.299 -9.746 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.594 -5.064 -11.742 1.00 0.00 N ATOM 0 H ARG A 37 -1.018 -3.536 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.638 -2.355 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.265 -5.034 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.708 -3.865 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.124 -2.566 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.723 -3.977 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.411 -1.728 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.280 -1.938 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.210 -3.398 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.451 -3.684 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.278 -4.947 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.860 -5.032 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.375 -5.712 -11.847 1.00 0.00 H new ATOM 539 N GLU A 38 -3.917 -5.190 -6.717 1.00 0.00 N ATOM 540 CA GLU A 38 -5.098 -6.035 -6.762 1.00 0.00 C ATOM 541 C GLU A 38 -6.311 -5.227 -7.227 1.00 0.00 C ATOM 542 O GLU A 38 -7.137 -5.724 -7.991 1.00 0.00 O ATOM 543 CB GLU A 38 -5.360 -6.685 -5.402 1.00 0.00 C ATOM 544 CG GLU A 38 -5.003 -8.172 -5.427 1.00 0.00 C ATOM 545 CD GLU A 38 -5.686 -8.880 -6.600 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.899 -9.151 -6.470 1.00 0.00 O ATOM 547 OE2 GLU A 38 -4.979 -9.134 -7.599 1.00 0.00 O ATOM 0 H GLU A 38 -3.252 -5.426 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.921 -6.835 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.774 -6.180 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.409 -6.564 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.922 -8.289 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.306 -8.638 -4.490 1.00 0.00 H new ATOM 554 N ALA A 39 -6.381 -3.995 -6.745 1.00 0.00 N ATOM 555 CA ALA A 39 -7.479 -3.113 -7.101 1.00 0.00 C ATOM 556 C ALA A 39 -7.461 -2.866 -8.611 1.00 0.00 C ATOM 557 O ALA A 39 -8.290 -3.405 -9.342 1.00 0.00 O ATOM 558 CB ALA A 39 -7.374 -1.815 -6.297 1.00 0.00 C ATOM 0 H ALA A 39 -5.695 -3.587 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.436 -3.573 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.198 -1.154 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.422 -2.042 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.427 -1.324 -6.521 1.00 0.00 H new ATOM 564 N GLY A 40 -6.506 -2.051 -9.033 1.00 0.00 N ATOM 565 CA GLY A 40 -6.368 -1.726 -10.443 1.00 0.00 C ATOM 566 C GLY A 40 -4.956 -1.225 -10.755 1.00 0.00 C ATOM 567 O GLY A 40 -3.988 -1.973 -10.633 1.00 0.00 O ATOM 0 H GLY A 40 -5.820 -1.606 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.586 -2.607 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.097 -0.963 -10.717 1.00 0.00 H new ATOM 571 N ASP A 41 -4.885 0.037 -11.152 1.00 0.00 N ATOM 572 CA ASP A 41 -3.608 0.646 -11.482 1.00 0.00 C ATOM 573 C ASP A 41 -3.152 1.529 -10.318 1.00 0.00 C ATOM 574 O ASP A 41 -3.923 2.344 -9.814 1.00 0.00 O ATOM 575 CB ASP A 41 -3.724 1.528 -12.727 1.00 0.00 C ATOM 576 CG ASP A 41 -2.403 1.813 -13.444 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.408 2.052 -12.726 1.00 0.00 O ATOM 578 OD2 ASP A 41 -2.417 1.784 -14.693 1.00 0.00 O ATOM 0 H ASP A 41 -5.691 0.654 -11.253 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.892 -0.154 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.406 1.050 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.176 2.477 -12.440 1.00 0.00 H new ATOM 583 N VAL A 42 -1.901 1.336 -9.926 1.00 0.00 N ATOM 584 CA VAL A 42 -1.334 2.105 -8.831 1.00 0.00 C ATOM 585 C VAL A 42 -0.322 3.108 -9.388 1.00 0.00 C ATOM 586 O VAL A 42 0.632 2.723 -10.063 1.00 0.00 O ATOM 587 CB VAL A 42 -0.730 1.162 -7.788 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.517 1.883 -6.456 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.600 -0.083 -7.605 1.00 0.00 C ATOM 0 H VAL A 42 -1.265 0.659 -10.347 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.111 2.676 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 42 0.245 0.838 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.087 1.191 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.161 2.724 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.474 2.249 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.148 -0.736 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.595 0.214 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.678 -0.615 -8.553 1.00 0.00 H new ATOM 599 N CYS A 43 -0.564 4.374 -9.085 1.00 0.00 N ATOM 600 CA CYS A 43 0.315 5.435 -9.547 1.00 0.00 C ATOM 601 C CYS A 43 1.204 5.866 -8.379 1.00 0.00 C ATOM 602 O CYS A 43 2.330 6.317 -8.584 1.00 0.00 O ATOM 603 CB CYS A 43 -0.474 6.611 -10.128 1.00 0.00 C ATOM 604 SG CYS A 43 0.648 8.020 -10.449 1.00 0.00 S ATOM 0 H CYS A 43 -1.356 4.690 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 43 0.940 5.064 -10.360 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.965 6.309 -11.053 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.259 6.911 -9.434 1.00 0.00 H new ATOM 0 HG CYS A 43 1.798 7.796 -9.885 1.00 0.00 H new ATOM 610 N TYR A 44 0.664 5.713 -7.178 1.00 0.00 N ATOM 611 CA TYR A 44 1.394 6.081 -5.977 1.00 0.00 C ATOM 612 C TYR A 44 1.604 4.866 -5.070 1.00 0.00 C ATOM 613 O TYR A 44 0.677 4.092 -4.839 1.00 0.00 O ATOM 614 CB TYR A 44 0.519 7.102 -5.248 1.00 0.00 C ATOM 615 CG TYR A 44 1.285 7.988 -4.264 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.509 7.554 -2.974 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.752 9.223 -4.668 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.231 8.388 -2.048 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.473 10.057 -3.742 1.00 0.00 C ATOM 620 CZ TYR A 44 2.677 9.599 -2.478 1.00 0.00 C ATOM 621 OH TYR A 44 3.358 10.387 -1.604 1.00 0.00 O ATOM 0 H TYR A 44 -0.270 5.339 -7.012 1.00 0.00 H new ATOM 0 HA TYR A 44 2.376 6.479 -6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.028 7.736 -5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.267 6.573 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.143 6.588 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.577 9.563 -5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.414 8.059 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.844 11.025 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 44 3.819 11.099 -2.096 1.00 0.00 H new ATOM 631 N ALA A 45 2.829 4.738 -4.581 1.00 0.00 N ATOM 632 CA ALA A 45 3.172 3.632 -3.704 1.00 0.00 C ATOM 633 C ALA A 45 4.317 4.054 -2.781 1.00 0.00 C ATOM 634 O ALA A 45 5.439 4.271 -3.237 1.00 0.00 O ATOM 635 CB ALA A 45 3.525 2.404 -4.546 1.00 0.00 C ATOM 0 H ALA A 45 3.596 5.382 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 45 2.323 3.364 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.783 1.574 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.669 2.127 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.375 2.635 -5.188 1.00 0.00 H new ATOM 641 N ASP A 46 3.994 4.158 -1.501 1.00 0.00 N ATOM 642 CA ASP A 46 4.981 4.551 -0.510 1.00 0.00 C ATOM 643 C ASP A 46 4.745 3.762 0.780 1.00 0.00 C ATOM 644 O ASP A 46 3.614 3.390 1.085 1.00 0.00 O ATOM 645 CB ASP A 46 4.868 6.041 -0.180 1.00 0.00 C ATOM 646 CG ASP A 46 5.080 6.984 -1.366 1.00 0.00 C ATOM 647 OD1 ASP A 46 4.507 6.687 -2.436 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.810 7.980 -1.175 1.00 0.00 O ATOM 0 H ASP A 46 3.063 3.977 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 46 5.970 4.347 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.882 6.230 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.598 6.283 0.592 1.00 0.00 H new ATOM 653 N VAL A 47 5.832 3.531 1.502 1.00 0.00 N ATOM 654 CA VAL A 47 5.757 2.793 2.751 1.00 0.00 C ATOM 655 C VAL A 47 6.706 3.427 3.771 1.00 0.00 C ATOM 656 O VAL A 47 7.809 3.845 3.421 1.00 0.00 O ATOM 657 CB VAL A 47 6.051 1.312 2.503 1.00 0.00 C ATOM 658 CG1 VAL A 47 6.151 0.544 3.822 1.00 0.00 C ATOM 659 CG2 VAL A 47 4.995 0.691 1.585 1.00 0.00 C ATOM 0 H VAL A 47 6.769 3.842 1.246 1.00 0.00 H new ATOM 0 HA VAL A 47 4.750 2.846 3.165 1.00 0.00 H new ATOM 0 HB VAL A 47 7.016 1.241 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.360 -0.506 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.955 0.963 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.209 0.627 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.227 -0.362 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.012 0.780 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.993 1.212 0.628 1.00 0.00 H new ATOM 669 N GLN A 48 6.242 3.479 5.010 1.00 0.00 N ATOM 670 CA GLN A 48 7.035 4.055 6.083 1.00 0.00 C ATOM 671 C GLN A 48 7.322 3.002 7.156 1.00 0.00 C ATOM 672 O GLN A 48 6.751 1.913 7.130 1.00 0.00 O ATOM 673 CB GLN A 48 6.337 5.276 6.686 1.00 0.00 C ATOM 674 CG GLN A 48 4.940 4.914 7.193 1.00 0.00 C ATOM 675 CD GLN A 48 4.306 6.089 7.940 1.00 0.00 C ATOM 676 OE1 GLN A 48 3.720 6.986 7.357 1.00 0.00 O ATOM 677 NE2 GLN A 48 4.457 6.035 9.260 1.00 0.00 N ATOM 0 H GLN A 48 5.326 3.132 5.296 1.00 0.00 H new ATOM 0 HA GLN A 48 7.985 4.389 5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.934 5.672 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.263 6.064 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.307 4.629 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.002 4.049 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.959 5.255 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.071 6.773 9.848 1.00 0.00 H new ATOM 686 N LYS A 49 8.206 3.365 8.073 1.00 0.00 N ATOM 687 CA LYS A 49 8.575 2.465 9.153 1.00 0.00 C ATOM 688 C LYS A 49 7.341 2.165 10.006 1.00 0.00 C ATOM 689 O LYS A 49 6.226 2.537 9.644 1.00 0.00 O ATOM 690 CB LYS A 49 9.750 3.037 9.949 1.00 0.00 C ATOM 691 CG LYS A 49 9.298 4.205 10.829 1.00 0.00 C ATOM 692 CD LYS A 49 9.935 5.517 10.368 1.00 0.00 C ATOM 693 CE LYS A 49 9.443 6.693 11.215 1.00 0.00 C ATOM 694 NZ LYS A 49 10.579 7.551 11.620 1.00 0.00 N ATOM 0 H LYS A 49 8.678 4.269 8.091 1.00 0.00 H new ATOM 0 HA LYS A 49 8.925 1.513 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.187 2.256 10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.529 3.373 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.212 4.292 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.569 4.010 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.020 5.443 10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.694 5.694 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.720 7.280 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.927 6.321 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.228 8.344 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.255 6.992 12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.054 7.921 10.772 1.00 0.00 H new ATOM 708 N ASP A 50 7.582 1.496 11.124 1.00 0.00 N ATOM 709 CA ASP A 50 6.505 1.142 12.032 1.00 0.00 C ATOM 710 C ASP A 50 5.671 0.018 11.414 1.00 0.00 C ATOM 711 O ASP A 50 5.550 -1.060 11.994 1.00 0.00 O ATOM 712 CB ASP A 50 5.579 2.335 12.280 1.00 0.00 C ATOM 713 CG ASP A 50 5.259 2.611 13.750 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.466 1.682 14.560 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.814 3.745 14.031 1.00 0.00 O ATOM 0 H ASP A 50 8.508 1.190 11.422 1.00 0.00 H new ATOM 0 HA ASP A 50 6.950 0.828 12.976 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.036 3.226 11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.644 2.167 11.746 1.00 0.00 H new ATOM 720 N GLY A 51 5.119 0.308 10.245 1.00 0.00 N ATOM 721 CA GLY A 51 4.300 -0.666 9.543 1.00 0.00 C ATOM 722 C GLY A 51 3.096 0.007 8.880 1.00 0.00 C ATOM 723 O GLY A 51 1.978 -0.500 8.957 1.00 0.00 O ATOM 0 H GLY A 51 5.223 1.203 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.899 -1.173 8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.956 -1.429 10.242 1.00 0.00 H new ATOM 727 N MET A 52 3.366 1.137 8.244 1.00 0.00 N ATOM 728 CA MET A 52 2.319 1.884 7.568 1.00 0.00 C ATOM 729 C MET A 52 2.648 2.070 6.085 1.00 0.00 C ATOM 730 O MET A 52 3.799 2.313 5.727 1.00 0.00 O ATOM 731 CB MET A 52 2.158 3.253 8.231 1.00 0.00 C ATOM 732 CG MET A 52 1.283 3.156 9.483 1.00 0.00 C ATOM 733 SD MET A 52 0.015 4.412 9.439 1.00 0.00 S ATOM 734 CE MET A 52 -1.105 3.764 10.669 1.00 0.00 C ATOM 0 H MET A 52 4.295 1.554 8.182 1.00 0.00 H new ATOM 0 HA MET A 52 1.389 1.321 7.647 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.138 3.650 8.497 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.712 3.953 7.525 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.826 2.168 9.542 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.896 3.278 10.376 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.563 4.589 11.215 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.882 3.177 10.180 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.555 3.130 11.364 1.00 0.00 H new ATOM 744 N GLY A 53 1.616 1.949 5.263 1.00 0.00 N ATOM 745 CA GLY A 53 1.781 2.102 3.827 1.00 0.00 C ATOM 746 C GLY A 53 0.710 3.027 3.247 1.00 0.00 C ATOM 747 O GLY A 53 -0.286 3.320 3.908 1.00 0.00 O ATOM 0 H GLY A 53 0.663 1.747 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.770 2.506 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.723 1.126 3.345 1.00 0.00 H new ATOM 751 N MET A 54 0.950 3.461 2.019 1.00 0.00 N ATOM 752 CA MET A 54 0.018 4.348 1.343 1.00 0.00 C ATOM 753 C MET A 54 0.083 4.157 -0.174 1.00 0.00 C ATOM 754 O MET A 54 1.165 4.158 -0.758 1.00 0.00 O ATOM 755 CB MET A 54 0.351 5.800 1.690 1.00 0.00 C ATOM 756 CG MET A 54 -0.854 6.711 1.450 1.00 0.00 C ATOM 757 SD MET A 54 -0.309 8.297 0.838 1.00 0.00 S ATOM 758 CE MET A 54 -0.640 8.087 -0.903 1.00 0.00 C ATOM 0 H MET A 54 1.776 3.215 1.474 1.00 0.00 H new ATOM 0 HA MET A 54 -0.991 4.108 1.678 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.660 5.867 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.193 6.138 1.086 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.532 6.249 0.733 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.412 6.842 2.377 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.258 8.948 -1.452 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.149 7.182 -1.260 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.715 8.003 -1.061 1.00 0.00 H new ATOM 768 N VAL A 55 -1.090 3.997 -0.769 1.00 0.00 N ATOM 769 CA VAL A 55 -1.181 3.806 -2.206 1.00 0.00 C ATOM 770 C VAL A 55 -2.351 4.626 -2.753 1.00 0.00 C ATOM 771 O VAL A 55 -3.365 4.795 -2.077 1.00 0.00 O ATOM 772 CB VAL A 55 -1.294 2.314 -2.529 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.032 1.767 -3.062 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.762 1.523 -1.307 1.00 0.00 C ATOM 0 H VAL A 55 -1.986 3.996 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.276 4.164 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.044 2.196 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.075 0.705 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.307 2.302 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.810 1.904 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.834 0.466 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.047 1.651 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.740 1.887 -0.991 1.00 0.00 H new ATOM 784 N GLU A 56 -2.172 5.114 -3.971 1.00 0.00 N ATOM 785 CA GLU A 56 -3.200 5.913 -4.617 1.00 0.00 C ATOM 786 C GLU A 56 -3.666 5.236 -5.907 1.00 0.00 C ATOM 787 O GLU A 56 -2.878 4.582 -6.589 1.00 0.00 O ATOM 788 CB GLU A 56 -2.699 7.332 -4.892 1.00 0.00 C ATOM 789 CG GLU A 56 -2.224 8.006 -3.603 1.00 0.00 C ATOM 790 CD GLU A 56 -2.601 9.489 -3.589 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.745 9.780 -3.178 1.00 0.00 O ATOM 792 OE2 GLU A 56 -1.736 10.298 -3.989 1.00 0.00 O ATOM 0 H GLU A 56 -1.330 4.972 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.052 5.989 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.881 7.299 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.497 7.922 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.668 7.506 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.143 7.901 -3.510 1.00 0.00 H new ATOM 799 N TYR A 57 -4.945 5.415 -6.203 1.00 0.00 N ATOM 800 CA TYR A 57 -5.526 4.829 -7.399 1.00 0.00 C ATOM 801 C TYR A 57 -6.131 5.908 -8.299 1.00 0.00 C ATOM 802 O TYR A 57 -6.484 6.989 -7.828 1.00 0.00 O ATOM 803 CB TYR A 57 -6.641 3.900 -6.916 1.00 0.00 C ATOM 804 CG TYR A 57 -6.138 2.605 -6.276 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.529 1.641 -7.055 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.292 2.399 -4.920 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.056 0.422 -6.454 1.00 0.00 C ATOM 808 CE2 TYR A 57 -5.819 1.180 -4.319 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.224 0.251 -5.115 1.00 0.00 C ATOM 810 OH TYR A 57 -4.777 -0.901 -4.547 1.00 0.00 O ATOM 0 H TYR A 57 -5.595 5.958 -5.635 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.766 4.303 -7.977 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.258 4.435 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.283 3.650 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.408 1.802 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.768 3.153 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.578 -0.340 -7.052 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.934 1.006 -3.259 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.674 -1.588 -5.238 1.00 0.00 H new ATOM 820 N LEU A 58 -6.234 5.578 -9.578 1.00 0.00 N ATOM 821 CA LEU A 58 -6.791 6.505 -10.549 1.00 0.00 C ATOM 822 C LEU A 58 -8.285 6.223 -10.717 1.00 0.00 C ATOM 823 O LEU A 58 -8.898 6.663 -11.689 1.00 0.00 O ATOM 824 CB LEU A 58 -6.002 6.448 -11.859 1.00 0.00 C ATOM 825 CG LEU A 58 -4.487 6.619 -11.737 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.139 7.899 -10.975 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.844 5.382 -11.105 1.00 0.00 C ATOM 0 H LEU A 58 -5.941 4.681 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.698 7.531 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.202 5.490 -12.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.383 7.223 -12.524 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.073 6.719 -12.740 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.056 7.996 -10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.546 8.760 -11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.567 7.854 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.767 5.530 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.259 5.225 -10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.048 4.509 -11.725 1.00 0.00 H new ATOM 839 N ARG A 59 -8.829 5.492 -9.756 1.00 0.00 N ATOM 840 CA ARG A 59 -10.240 5.146 -9.786 1.00 0.00 C ATOM 841 C ARG A 59 -10.795 5.059 -8.363 1.00 0.00 C ATOM 842 O ARG A 59 -10.149 4.508 -7.473 1.00 0.00 O ATOM 843 CB ARG A 59 -10.465 3.810 -10.496 1.00 0.00 C ATOM 844 CG ARG A 59 -10.396 3.978 -12.015 1.00 0.00 C ATOM 845 CD ARG A 59 -11.652 4.671 -12.548 1.00 0.00 C ATOM 846 NE ARG A 59 -11.362 5.314 -13.849 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.301 5.795 -14.675 1.00 0.00 C ATOM 848 NH1 ARG A 59 -13.596 5.709 -14.340 1.00 0.00 N ATOM 849 NH2 ARG A 59 -11.946 6.361 -15.836 1.00 0.00 N ATOM 0 H ARG A 59 -8.318 5.129 -8.951 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.762 5.929 -10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.713 3.091 -10.172 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.437 3.404 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.514 4.561 -12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.287 3.002 -12.488 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.457 3.945 -12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.997 5.418 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.386 5.396 -14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.867 5.277 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.311 6.075 -14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.961 6.426 -16.091 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.661 6.727 -16.465 1.00 0.00 H new ATOM 863 N LYS A 60 -11.988 5.611 -8.192 1.00 0.00 N ATOM 864 CA LYS A 60 -12.638 5.603 -6.893 1.00 0.00 C ATOM 865 C LYS A 60 -12.959 4.160 -6.497 1.00 0.00 C ATOM 866 O LYS A 60 -12.514 3.685 -5.453 1.00 0.00 O ATOM 867 CB LYS A 60 -13.858 6.525 -6.898 1.00 0.00 C ATOM 868 CG LYS A 60 -14.485 6.613 -5.505 1.00 0.00 C ATOM 869 CD LYS A 60 -15.831 7.340 -5.554 1.00 0.00 C ATOM 870 CE LYS A 60 -16.575 7.206 -4.224 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.784 8.059 -4.219 1.00 0.00 N ATOM 0 H LYS A 60 -12.521 6.067 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.969 6.002 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.565 7.520 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.596 6.154 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.624 5.610 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.809 7.138 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.671 8.394 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.441 6.930 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.856 6.166 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.918 7.491 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.277 7.956 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.508 9.053 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.417 7.768 -4.991 1.00 0.00 H new ATOM 885 N GLU A 61 -13.728 3.503 -7.352 1.00 0.00 N ATOM 886 CA GLU A 61 -14.114 2.124 -7.105 1.00 0.00 C ATOM 887 C GLU A 61 -12.889 1.291 -6.722 1.00 0.00 C ATOM 888 O GLU A 61 -12.928 0.533 -5.753 1.00 0.00 O ATOM 889 CB GLU A 61 -14.825 1.527 -8.321 1.00 0.00 C ATOM 890 CG GLU A 61 -16.343 1.539 -8.130 1.00 0.00 C ATOM 891 CD GLU A 61 -17.026 0.578 -9.106 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.566 -0.582 -9.175 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.992 1.026 -9.760 1.00 0.00 O ATOM 0 H GLU A 61 -14.095 3.900 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.816 2.107 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.563 2.094 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.483 0.504 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.587 1.257 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.724 2.549 -8.282 1.00 0.00 H new ATOM 900 N ASP A 62 -11.831 1.459 -7.502 1.00 0.00 N ATOM 901 CA ASP A 62 -10.598 0.732 -7.256 1.00 0.00 C ATOM 902 C ASP A 62 -10.212 0.874 -5.782 1.00 0.00 C ATOM 903 O ASP A 62 -9.828 -0.103 -5.141 1.00 0.00 O ATOM 904 CB ASP A 62 -9.451 1.291 -8.101 1.00 0.00 C ATOM 905 CG ASP A 62 -8.055 0.818 -7.691 1.00 0.00 C ATOM 906 OD1 ASP A 62 -7.825 0.727 -6.465 1.00 0.00 O ATOM 907 OD2 ASP A 62 -7.250 0.559 -8.611 1.00 0.00 O ATOM 0 H ASP A 62 -11.803 2.088 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.764 -0.313 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.620 1.017 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.479 2.379 -8.050 1.00 0.00 H new ATOM 912 N MET A 63 -10.327 2.098 -5.289 1.00 0.00 N ATOM 913 CA MET A 63 -9.995 2.380 -3.903 1.00 0.00 C ATOM 914 C MET A 63 -10.831 1.521 -2.953 1.00 0.00 C ATOM 915 O MET A 63 -10.285 0.759 -2.156 1.00 0.00 O ATOM 916 CB MET A 63 -10.248 3.860 -3.609 1.00 0.00 C ATOM 917 CG MET A 63 -9.331 4.361 -2.490 1.00 0.00 C ATOM 918 SD MET A 63 -10.309 5.018 -1.149 1.00 0.00 S ATOM 919 CE MET A 63 -11.536 5.925 -2.075 1.00 0.00 C ATOM 0 H MET A 63 -10.645 2.906 -5.824 1.00 0.00 H new ATOM 0 HA MET A 63 -8.943 2.143 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.081 4.448 -4.512 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.290 4.005 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.705 3.545 -2.129 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.662 5.131 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.926 6.738 -1.463 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.082 6.335 -2.977 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.351 5.256 -2.351 1.00 0.00 H new ATOM 929 N GLU A 64 -12.143 1.672 -3.068 1.00 0.00 N ATOM 930 CA GLU A 64 -13.060 0.919 -2.229 1.00 0.00 C ATOM 931 C GLU A 64 -12.849 -0.584 -2.429 1.00 0.00 C ATOM 932 O GLU A 64 -12.848 -1.347 -1.464 1.00 0.00 O ATOM 933 CB GLU A 64 -14.511 1.312 -2.513 1.00 0.00 C ATOM 934 CG GLU A 64 -14.746 2.794 -2.214 1.00 0.00 C ATOM 935 CD GLU A 64 -16.164 3.029 -1.689 1.00 0.00 C ATOM 936 OE1 GLU A 64 -17.108 2.733 -2.453 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.271 3.499 -0.536 1.00 0.00 O ATOM 0 H GLU A 64 -12.592 2.305 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.851 1.160 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.750 1.105 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.182 0.704 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.020 3.140 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.587 3.381 -3.119 1.00 0.00 H new ATOM 944 N TYR A 65 -12.678 -0.963 -3.687 1.00 0.00 N ATOM 945 CA TYR A 65 -12.467 -2.360 -4.025 1.00 0.00 C ATOM 946 C TYR A 65 -11.357 -2.971 -3.166 1.00 0.00 C ATOM 947 O TYR A 65 -11.617 -3.845 -2.340 1.00 0.00 O ATOM 948 CB TYR A 65 -12.030 -2.378 -5.491 1.00 0.00 C ATOM 949 CG TYR A 65 -11.628 -3.763 -6.004 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.356 -4.243 -5.770 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.539 -4.531 -6.700 1.00 0.00 C ATOM 952 CE1 TYR A 65 -9.978 -5.546 -6.252 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.161 -5.834 -7.183 1.00 0.00 C ATOM 954 CZ TYR A 65 -10.899 -6.277 -6.935 1.00 0.00 C ATOM 955 OH TYR A 65 -10.542 -7.508 -7.391 1.00 0.00 O ATOM 0 H TYR A 65 -12.681 -0.327 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.375 -2.938 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.844 -1.996 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.188 -1.697 -5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.644 -3.641 -5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.535 -4.155 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.986 -5.934 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.864 -6.446 -7.730 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.300 -7.916 -7.859 1.00 0.00 H new ATOM 965 N ALA A 66 -10.145 -2.487 -3.392 1.00 0.00 N ATOM 966 CA ALA A 66 -8.995 -2.974 -2.649 1.00 0.00 C ATOM 967 C ALA A 66 -9.257 -2.818 -1.150 1.00 0.00 C ATOM 968 O ALA A 66 -8.916 -3.697 -0.361 1.00 0.00 O ATOM 969 CB ALA A 66 -7.740 -2.226 -3.103 1.00 0.00 C ATOM 0 H ALA A 66 -9.934 -1.763 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.832 -4.034 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.877 -2.591 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.582 -2.394 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.866 -1.159 -2.919 1.00 0.00 H new ATOM 975 N LEU A 67 -9.862 -1.691 -0.802 1.00 0.00 N ATOM 976 CA LEU A 67 -10.174 -1.408 0.589 1.00 0.00 C ATOM 977 C LEU A 67 -10.881 -2.617 1.204 1.00 0.00 C ATOM 978 O LEU A 67 -10.399 -3.193 2.178 1.00 0.00 O ATOM 979 CB LEU A 67 -10.969 -0.106 0.705 1.00 0.00 C ATOM 980 CG LEU A 67 -10.150 1.186 0.653 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.048 2.393 0.372 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.330 1.367 1.932 1.00 0.00 C ATOM 0 H LEU A 67 -10.144 -0.964 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.260 -1.248 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.704 -0.079 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.523 -0.124 1.643 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.444 1.110 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.442 3.298 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.549 2.258 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.794 2.483 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.757 2.292 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.000 1.412 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.647 0.525 2.049 1.00 0.00 H new ATOM 994 N ARG A 68 -12.013 -2.965 0.611 1.00 0.00 N ATOM 995 CA ARG A 68 -12.792 -4.095 1.089 1.00 0.00 C ATOM 996 C ARG A 68 -12.077 -5.408 0.763 1.00 0.00 C ATOM 997 O ARG A 68 -11.618 -6.109 1.663 1.00 0.00 O ATOM 998 CB ARG A 68 -14.185 -4.110 0.458 1.00 0.00 C ATOM 999 CG ARG A 68 -14.890 -2.766 0.651 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.155 -2.494 2.134 1.00 0.00 C ATOM 1001 NE ARG A 68 -14.369 -1.323 2.582 1.00 0.00 N ATOM 1002 CZ ARG A 68 -14.456 -0.783 3.805 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -15.296 -1.305 4.709 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -13.704 0.279 4.124 1.00 0.00 N ATOM 0 H ARG A 68 -12.410 -2.484 -0.196 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.897 -3.993 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.104 -4.332 -0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.782 -4.905 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.277 -1.967 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.832 -2.763 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.218 -2.312 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.888 -3.369 2.726 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.720 -0.900 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.869 -2.113 4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.363 -0.894 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.065 0.677 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.771 0.690 5.055 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.006 -5.701 -0.528 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.356 -6.918 -0.984 1.00 0.00 C ATOM 1020 C LYS A 69 -10.168 -7.229 -0.071 1.00 0.00 C ATOM 1021 O LYS A 69 -10.154 -8.253 0.609 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.981 -6.803 -2.463 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.101 -7.340 -3.356 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.291 -6.379 -3.382 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.365 -6.807 -2.380 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.532 -5.900 -2.452 1.00 0.00 N ATOM 0 H LYS A 69 -12.388 -5.117 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.040 -7.764 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.781 -5.761 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.062 -7.358 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.725 -7.486 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.425 -8.315 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.953 -5.370 -3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.716 -6.349 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.679 -7.830 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.953 -6.800 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.191 -6.119 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.212 -4.914 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.015 -6.028 -3.364 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.199 -6.325 -0.086 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.009 -6.490 0.732 1.00 0.00 C ATOM 1042 C LEU A 70 -8.406 -6.482 2.210 1.00 0.00 C ATOM 1043 O LEU A 70 -8.212 -7.472 2.914 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.961 -5.436 0.372 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.681 -5.252 -1.121 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.603 -4.190 -1.350 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.321 -6.585 -1.780 1.00 0.00 C ATOM 0 H LEU A 70 -9.214 -5.476 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.540 -7.454 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.282 -4.478 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.026 -5.698 0.867 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.593 -4.893 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.423 -4.079 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.937 -3.238 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.680 -4.496 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.127 -6.426 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.430 -6.996 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.149 -7.284 -1.664 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.956 -5.354 2.636 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.382 -5.204 4.017 1.00 0.00 C ATOM 1061 C ASP A 71 -8.738 -6.302 4.867 1.00 0.00 C ATOM 1062 O ASP A 71 -9.315 -7.374 5.043 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.901 -5.339 4.142 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.455 -5.127 5.552 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.637 -4.805 6.441 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.684 -5.291 5.710 1.00 0.00 O ATOM 0 H ASP A 71 -9.116 -4.535 2.049 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.078 -4.214 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.371 -4.620 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.192 -6.332 3.799 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.552 -5.996 5.371 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.823 -6.943 6.198 1.00 0.00 C ATOM 1073 C ASP A 72 -6.395 -8.136 5.342 1.00 0.00 C ATOM 1074 O ASP A 72 -7.198 -9.025 5.063 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.700 -7.467 7.336 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.946 -7.832 8.617 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.709 -7.656 8.617 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.625 -8.278 9.567 1.00 0.00 O ATOM 0 H ASP A 72 -7.077 -5.105 5.223 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.957 -6.430 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.448 -6.712 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.237 -8.348 6.985 1.00 0.00 H new ATOM 1083 N THR A 73 -5.129 -8.119 4.950 1.00 0.00 N ATOM 1084 CA THR A 73 -4.585 -9.189 4.132 1.00 0.00 C ATOM 1085 C THR A 73 -3.215 -9.619 4.660 1.00 0.00 C ATOM 1086 O THR A 73 -2.628 -8.940 5.501 1.00 0.00 O ATOM 1087 CB THR A 73 -4.552 -8.705 2.681 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.024 -7.384 2.767 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.952 -8.509 2.097 1.00 0.00 C ATOM 0 H THR A 73 -4.465 -7.381 5.184 1.00 0.00 H new ATOM 0 HA THR A 73 -5.211 -10.080 4.178 1.00 0.00 H new ATOM 0 HB THR A 73 -4.002 -9.422 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.967 -6.995 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.871 -8.165 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.493 -9.455 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.491 -7.767 2.686 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.744 -10.745 4.144 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.454 -11.274 4.553 1.00 0.00 C ATOM 1099 C LYS A 74 -0.389 -10.847 3.541 1.00 0.00 C ATOM 1100 O LYS A 74 -0.246 -11.464 2.486 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.536 -12.788 4.757 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.213 -13.342 5.289 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.307 -14.850 5.530 1.00 0.00 C ATOM 1104 CE LYS A 74 0.708 -15.607 4.671 1.00 0.00 C ATOM 1105 NZ LYS A 74 1.389 -16.649 5.471 1.00 0.00 N ATOM 0 H LYS A 74 -3.233 -11.306 3.446 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.162 -10.861 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.339 -13.021 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.784 -13.273 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.585 -13.133 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.049 -12.837 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.129 -15.065 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.314 -15.197 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.203 -16.065 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.444 -14.911 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.074 -17.153 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.887 -16.204 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.685 -17.323 5.834 1.00 0.00 H new ATOM 1119 N PHE A 75 0.332 -9.794 3.898 1.00 0.00 N ATOM 1120 CA PHE A 75 1.381 -9.278 3.034 1.00 0.00 C ATOM 1121 C PHE A 75 2.718 -9.962 3.326 1.00 0.00 C ATOM 1122 O PHE A 75 3.118 -10.083 4.483 1.00 0.00 O ATOM 1123 CB PHE A 75 1.510 -7.783 3.333 1.00 0.00 C ATOM 1124 CG PHE A 75 2.658 -7.097 2.590 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.736 -7.178 1.234 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.601 -6.406 3.285 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.802 -6.542 0.545 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.667 -5.770 2.595 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.745 -5.851 1.240 1.00 0.00 C ATOM 0 H PHE A 75 0.211 -9.284 4.773 1.00 0.00 H new ATOM 0 HA PHE A 75 1.129 -9.464 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.575 -7.289 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.653 -7.648 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.987 -7.726 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.539 -6.341 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.864 -6.607 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.416 -5.222 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.556 -5.367 0.716 1.00 0.00 H new ATOM 1139 N ARG A 76 3.372 -10.390 2.257 1.00 0.00 N ATOM 1140 CA ARG A 76 4.656 -11.059 2.383 1.00 0.00 C ATOM 1141 C ARG A 76 5.792 -10.098 2.026 1.00 0.00 C ATOM 1142 O ARG A 76 5.897 -9.652 0.885 1.00 0.00 O ATOM 1143 CB ARG A 76 4.731 -12.286 1.473 1.00 0.00 C ATOM 1144 CG ARG A 76 6.014 -13.080 1.727 1.00 0.00 C ATOM 1145 CD ARG A 76 5.800 -14.570 1.450 1.00 0.00 C ATOM 1146 NE ARG A 76 6.398 -14.933 0.146 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.786 -14.763 -1.034 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.556 -14.234 -1.081 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.404 -15.122 -2.167 1.00 0.00 N ATOM 0 H ARG A 76 3.037 -10.287 1.299 1.00 0.00 H new ATOM 0 HA ARG A 76 4.760 -11.383 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.864 -12.924 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.694 -11.972 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.813 -12.699 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.334 -12.941 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.251 -15.165 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.734 -14.798 1.447 1.00 0.00 H new ATOM 0 HE ARG A 76 7.334 -15.338 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.085 -13.961 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.090 -14.105 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.340 -15.525 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.938 -14.993 -3.065 1.00 0.00 H new ATOM 1163 N SER A 77 6.615 -9.808 3.024 1.00 0.00 N ATOM 1164 CA SER A 77 7.739 -8.908 2.829 1.00 0.00 C ATOM 1165 C SER A 77 8.767 -9.549 1.895 1.00 0.00 C ATOM 1166 O SER A 77 8.684 -10.741 1.599 1.00 0.00 O ATOM 1167 CB SER A 77 8.390 -8.544 4.165 1.00 0.00 C ATOM 1168 OG SER A 77 9.251 -9.576 4.638 1.00 0.00 O ATOM 0 H SER A 77 6.526 -10.180 3.969 1.00 0.00 H new ATOM 0 HA SER A 77 7.367 -7.990 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.959 -7.621 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.614 -8.351 4.906 1.00 0.00 H new ATOM 0 HG SER A 77 8.719 -10.267 5.084 1.00 0.00 H new ATOM 1174 N HIS A 78 9.711 -8.731 1.455 1.00 0.00 N ATOM 1175 CA HIS A 78 10.754 -9.203 0.560 1.00 0.00 C ATOM 1176 C HIS A 78 11.669 -10.176 1.307 1.00 0.00 C ATOM 1177 O HIS A 78 12.482 -10.864 0.692 1.00 0.00 O ATOM 1178 CB HIS A 78 11.514 -8.028 -0.057 1.00 0.00 C ATOM 1179 CG HIS A 78 12.894 -8.383 -0.556 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.979 -8.885 0.103 1.00 0.00 N flip ATOM 1181 CD2 HIS A 78 13.276 -8.230 -1.877 1.00 0.00 C flip ATOM 1182 CE1 HIS A 78 14.968 -9.031 -0.770 1.00 0.00 C flip ATOM 1183 NE2 HIS A 78 14.535 -8.626 -1.998 1.00 0.00 N flip ATOM 0 H HIS A 78 9.776 -7.743 1.702 1.00 0.00 H new ATOM 0 HA HIS A 78 10.306 -9.746 -0.272 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.931 -7.627 -0.886 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.600 -7.234 0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.654 -7.852 -2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.954 -9.409 -0.545 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.083 -8.628 -2.858 1.00 0.00 H new ATOM 1191 N GLU A 79 11.506 -10.201 2.621 1.00 0.00 N ATOM 1192 CA GLU A 79 12.307 -11.077 3.458 1.00 0.00 C ATOM 1193 C GLU A 79 11.537 -12.362 3.772 1.00 0.00 C ATOM 1194 O GLU A 79 11.998 -13.190 4.556 1.00 0.00 O ATOM 1195 CB GLU A 79 12.736 -10.367 4.743 1.00 0.00 C ATOM 1196 CG GLU A 79 14.149 -9.795 4.608 1.00 0.00 C ATOM 1197 CD GLU A 79 15.202 -10.840 4.982 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.354 -11.800 4.195 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.831 -10.657 6.046 1.00 0.00 O ATOM 0 H GLU A 79 10.831 -9.628 3.127 1.00 0.00 H new ATOM 0 HA GLU A 79 13.211 -11.343 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.035 -9.564 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.701 -11.067 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.313 -9.459 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.254 -8.921 5.251 1.00 0.00 H new ATOM 1206 N GLY A 80 10.377 -12.486 3.145 1.00 0.00 N ATOM 1207 CA GLY A 80 9.538 -13.655 3.348 1.00 0.00 C ATOM 1208 C GLY A 80 8.564 -13.436 4.507 1.00 0.00 C ATOM 1209 O GLY A 80 7.419 -13.883 4.453 1.00 0.00 O ATOM 0 H GLY A 80 9.998 -11.796 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.981 -13.870 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.163 -14.524 3.553 1.00 0.00 H new ATOM 1213 N GLU A 81 9.053 -12.749 5.529 1.00 0.00 N ATOM 1214 CA GLU A 81 8.240 -12.465 6.699 1.00 0.00 C ATOM 1215 C GLU A 81 6.881 -11.902 6.277 1.00 0.00 C ATOM 1216 O GLU A 81 6.814 -10.886 5.587 1.00 0.00 O ATOM 1217 CB GLU A 81 8.960 -11.506 7.648 1.00 0.00 C ATOM 1218 CG GLU A 81 10.027 -12.240 8.463 1.00 0.00 C ATOM 1219 CD GLU A 81 10.917 -11.250 9.218 1.00 0.00 C ATOM 1220 OE1 GLU A 81 10.386 -10.605 10.149 1.00 0.00 O ATOM 1221 OE2 GLU A 81 12.107 -11.161 8.848 1.00 0.00 O ATOM 0 H GLU A 81 10.003 -12.380 5.571 1.00 0.00 H new ATOM 0 HA GLU A 81 8.074 -13.398 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.423 -10.702 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.238 -11.043 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.548 -12.917 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.639 -12.852 7.800 1.00 0.00 H new ATOM 1228 N THR A 82 5.833 -12.587 6.709 1.00 0.00 N ATOM 1229 CA THR A 82 4.480 -12.167 6.385 1.00 0.00 C ATOM 1230 C THR A 82 3.865 -11.397 7.555 1.00 0.00 C ATOM 1231 O THR A 82 4.276 -11.571 8.701 1.00 0.00 O ATOM 1232 CB THR A 82 3.681 -13.411 5.989 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.967 -14.350 7.022 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.222 -14.075 4.721 1.00 0.00 C ATOM 0 H THR A 82 5.893 -13.430 7.280 1.00 0.00 H new ATOM 0 HA THR A 82 4.472 -11.475 5.542 1.00 0.00 H new ATOM 0 HB THR A 82 2.636 -13.139 5.839 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.621 -15.231 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.620 -14.952 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.176 -13.369 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.257 -14.378 4.882 1.00 0.00 H new ATOM 1242 N SER A 83 2.890 -10.563 7.226 1.00 0.00 N ATOM 1243 CA SER A 83 2.214 -9.766 8.236 1.00 0.00 C ATOM 1244 C SER A 83 0.814 -9.384 7.751 1.00 0.00 C ATOM 1245 O SER A 83 0.540 -9.410 6.552 1.00 0.00 O ATOM 1246 CB SER A 83 3.019 -8.510 8.576 1.00 0.00 C ATOM 1247 OG SER A 83 4.394 -8.804 8.809 1.00 0.00 O ATOM 0 H SER A 83 2.552 -10.422 6.274 1.00 0.00 H new ATOM 0 HA SER A 83 2.126 -10.365 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.935 -7.793 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.595 -8.036 9.461 1.00 0.00 H new ATOM 0 HG SER A 83 4.720 -8.267 9.561 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.035 -9.038 8.708 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.399 -8.652 8.393 1.00 0.00 C ATOM 1255 C TYR A 84 -1.510 -7.138 8.202 1.00 0.00 C ATOM 1256 O TYR A 84 -1.334 -6.374 9.151 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.243 -9.064 9.600 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.367 -10.048 9.267 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.173 -11.017 8.304 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.575 -9.965 9.929 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.230 -11.943 7.991 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.633 -10.890 9.615 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.408 -11.834 8.661 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.407 -12.708 8.365 1.00 0.00 O ATOM 0 H TYR A 84 0.196 -9.017 9.701 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.729 -9.128 7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.591 -9.513 10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.677 -8.171 10.049 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.228 -11.081 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.727 -9.206 10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.090 -12.707 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.583 -10.836 10.125 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.189 -12.512 8.922 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.801 -6.748 6.970 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.937 -5.339 6.642 1.00 0.00 C ATOM 1276 C ILE A 85 -3.413 -5.017 6.401 1.00 0.00 C ATOM 1277 O ILE A 85 -4.100 -5.739 5.680 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.027 -4.972 5.468 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.418 -5.746 4.208 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.445 -5.173 5.832 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.976 -5.001 2.947 1.00 0.00 C ATOM 0 H ILE A 85 -1.947 -7.384 6.186 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.607 -4.719 7.476 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.162 -3.913 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.962 -6.736 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.498 -5.893 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.070 -4.905 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.699 -4.540 6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.616 -6.217 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.266 -5.573 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.453 -4.021 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.107 -4.877 2.958 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.857 -3.931 7.017 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.239 -3.504 6.878 1.00 0.00 C ATOM 1295 C ARG A 86 -5.351 -2.407 5.817 1.00 0.00 C ATOM 1296 O ARG A 86 -4.390 -1.684 5.562 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.789 -2.978 8.205 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.451 -4.100 9.007 1.00 0.00 C ATOM 1299 CD ARG A 86 -7.967 -4.102 8.798 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.610 -3.168 9.749 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.921 -3.163 10.027 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -10.736 -4.041 9.427 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.417 -2.279 10.903 1.00 0.00 N ATOM 0 H ARG A 86 -3.284 -3.334 7.614 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.825 -4.371 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.981 -2.537 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.513 -2.186 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.037 -5.062 8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.226 -3.976 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.202 -3.810 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.361 -5.108 8.941 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.018 -2.485 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.359 -4.713 8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.734 -4.037 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.797 -1.610 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.415 -2.275 11.114 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.534 -2.318 5.227 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.785 -1.322 4.199 1.00 0.00 C ATOM 1319 C VAL A 87 -8.005 -0.487 4.592 1.00 0.00 C ATOM 1320 O VAL A 87 -9.087 -1.029 4.815 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.939 -2.002 2.837 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.609 -1.033 1.700 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.074 -3.262 2.753 1.00 0.00 C ATOM 0 H VAL A 87 -7.329 -2.919 5.441 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.939 -0.641 4.112 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.981 -2.303 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.726 -1.541 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.285 -0.179 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.580 -0.687 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.202 -3.726 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.027 -2.994 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.377 -3.964 3.530 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.791 0.818 4.663 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.860 1.734 5.025 1.00 0.00 C ATOM 1335 C TYR A 88 -8.618 3.122 4.430 1.00 0.00 C ATOM 1336 O TYR A 88 -7.481 3.483 4.131 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.832 1.834 6.551 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.509 2.355 7.116 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.432 1.502 7.250 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.392 3.678 7.492 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.187 1.993 7.782 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -6.147 4.169 8.023 1.00 0.00 C ATOM 1343 CZ TYR A 88 -5.106 3.302 8.142 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.930 3.765 8.644 1.00 0.00 O ATOM 0 H TYR A 88 -6.893 1.264 4.476 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.817 1.374 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.638 2.491 6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.033 0.849 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.523 0.467 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.235 4.345 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.337 1.336 7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.042 5.202 8.320 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.018 4.718 8.857 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.734 3.883 4.273 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.654 5.224 3.719 1.00 0.00 C ATOM 1356 C PRO A 89 -9.086 6.207 4.745 1.00 0.00 C ATOM 1357 O PRO A 89 -8.861 5.846 5.898 1.00 0.00 O ATOM 1358 CB PRO A 89 -11.074 5.561 3.296 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.973 4.592 4.047 1.00 0.00 C ATOM 1360 CD PRO A 89 -11.097 3.488 4.616 1.00 0.00 C ATOM 0 HA PRO A 89 -8.974 5.288 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.320 6.594 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.197 5.453 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.505 5.107 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.727 4.175 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.224 3.398 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.349 2.520 4.184 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.872 7.432 4.287 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.335 8.470 5.150 1.00 0.00 C ATOM 1370 C GLU A 90 -9.470 9.307 5.743 1.00 0.00 C ATOM 1371 O GLU A 90 -10.550 9.396 5.160 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.340 9.353 4.393 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.959 9.310 5.049 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.709 10.570 5.882 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.693 11.064 6.473 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.539 11.009 5.908 1.00 0.00 O ATOM 0 H GLU A 90 -9.061 7.729 3.330 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.796 7.992 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.266 9.018 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.704 10.380 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.882 8.428 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.190 9.218 4.282 1.00 0.00 H new ATOM 1383 N ARG A 91 -9.187 9.900 6.893 1.00 0.00 N ATOM 1384 CA ARG A 91 -10.171 10.727 7.571 1.00 0.00 C ATOM 1385 C ARG A 91 -9.663 12.165 7.692 1.00 0.00 C ATOM 1386 O ARG A 91 -8.507 12.391 8.045 1.00 0.00 O ATOM 1387 CB ARG A 91 -10.479 10.183 8.967 1.00 0.00 C ATOM 1388 CG ARG A 91 -9.223 10.173 9.842 1.00 0.00 C ATOM 1389 CD ARG A 91 -9.553 9.738 11.271 1.00 0.00 C ATOM 1390 NE ARG A 91 -8.481 10.174 12.193 1.00 0.00 N ATOM 1391 CZ ARG A 91 -8.364 9.755 13.460 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -9.252 8.888 13.964 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -7.359 10.204 14.224 1.00 0.00 N ATOM 0 H ARG A 91 -8.290 9.824 7.373 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.085 10.710 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.249 10.794 9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.879 9.172 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.483 9.497 9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.777 11.167 9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.506 10.167 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.663 8.654 11.314 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.788 10.835 11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.018 8.547 13.383 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.162 8.569 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.683 10.865 13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.270 9.885 15.189 1.00 0.00 H new ATOM 1407 N SER A 92 -10.552 13.100 7.392 1.00 0.00 N ATOM 1408 CA SER A 92 -10.209 14.510 7.463 1.00 0.00 C ATOM 1409 C SER A 92 -11.459 15.365 7.247 1.00 0.00 C ATOM 1410 O SER A 92 -12.549 14.835 7.035 1.00 0.00 O ATOM 1411 CB SER A 92 -9.136 14.868 6.432 1.00 0.00 C ATOM 1412 OG SER A 92 -8.017 15.518 7.029 1.00 0.00 O ATOM 0 H SER A 92 -11.510 12.909 7.099 1.00 0.00 H new ATOM 0 HA SER A 92 -9.805 14.714 8.455 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.802 13.962 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.568 15.517 5.670 1.00 0.00 H new ATOM 0 HG SER A 92 -7.354 15.728 6.338 1.00 0.00 H new ATOM 1418 N SER A 93 -11.260 16.674 7.308 1.00 0.00 N ATOM 1419 CA SER A 93 -12.358 17.607 7.122 1.00 0.00 C ATOM 1420 C SER A 93 -11.812 19.012 6.860 1.00 0.00 C ATOM 1421 O SER A 93 -10.625 19.268 7.060 1.00 0.00 O ATOM 1422 CB SER A 93 -13.285 17.616 8.339 1.00 0.00 C ATOM 1423 OG SER A 93 -14.640 17.357 7.979 1.00 0.00 O ATOM 0 H SER A 93 -10.355 17.110 7.484 1.00 0.00 H new ATOM 0 HA SER A 93 -12.939 17.283 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.950 16.866 9.055 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.221 18.583 8.837 1.00 0.00 H new ATOM 0 HG SER A 93 -15.200 17.369 8.783 1.00 0.00 H new ATOM 1429 N GLY A 94 -12.703 19.886 6.417 1.00 0.00 N ATOM 1430 CA GLY A 94 -12.326 21.259 6.126 1.00 0.00 C ATOM 1431 C GLY A 94 -13.387 21.949 5.267 1.00 0.00 C ATOM 1432 O GLY A 94 -13.550 21.620 4.093 1.00 0.00 O ATOM 0 H GLY A 94 -13.686 19.670 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.194 21.809 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.367 21.274 5.608 1.00 0.00 H new ATOM 1436 N PRO A 95 -14.099 22.918 5.901 1.00 0.00 N ATOM 1437 CA PRO A 95 -15.140 23.658 5.208 1.00 0.00 C ATOM 1438 C PRO A 95 -14.536 24.683 4.246 1.00 0.00 C ATOM 1439 O PRO A 95 -14.937 24.763 3.086 1.00 0.00 O ATOM 1440 CB PRO A 95 -15.971 24.294 6.310 1.00 0.00 C ATOM 1441 CG PRO A 95 -15.099 24.272 7.555 1.00 0.00 C ATOM 1442 CD PRO A 95 -13.933 23.334 7.291 1.00 0.00 C ATOM 0 HA PRO A 95 -15.761 23.021 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.252 25.314 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.896 23.740 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.738 25.274 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.673 23.934 8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.978 23.837 7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.953 22.478 7.966 1.00 0.00 H new ATOM 1450 N SER A 96 -13.582 25.442 4.764 1.00 0.00 N ATOM 1451 CA SER A 96 -12.918 26.459 3.966 1.00 0.00 C ATOM 1452 C SER A 96 -13.950 27.444 3.411 1.00 0.00 C ATOM 1453 O SER A 96 -14.655 27.134 2.452 1.00 0.00 O ATOM 1454 CB SER A 96 -12.118 25.829 2.825 1.00 0.00 C ATOM 1455 OG SER A 96 -10.801 25.469 3.231 1.00 0.00 O ATOM 0 H SER A 96 -13.253 25.373 5.727 1.00 0.00 H new ATOM 0 HA SER A 96 -12.220 26.996 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.640 24.944 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.062 26.530 1.992 1.00 0.00 H new ATOM 0 HG SER A 96 -10.323 25.069 2.475 1.00 0.00 H new ATOM 1461 N SER A 97 -14.005 28.610 4.038 1.00 0.00 N ATOM 1462 CA SER A 97 -14.938 29.641 3.618 1.00 0.00 C ATOM 1463 C SER A 97 -14.218 30.987 3.514 1.00 0.00 C ATOM 1464 O SER A 97 -13.202 31.205 4.172 1.00 0.00 O ATOM 1465 CB SER A 97 -16.117 29.744 4.587 1.00 0.00 C ATOM 1466 OG SER A 97 -17.258 30.343 3.978 1.00 0.00 O ATOM 0 H SER A 97 -13.419 28.863 4.833 1.00 0.00 H new ATOM 0 HA SER A 97 -15.330 29.369 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.379 28.749 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.821 30.330 5.457 1.00 0.00 H new ATOM 0 HG SER A 97 -17.990 30.389 4.628 1.00 0.00 H new ATOM 1472 N GLY A 98 -14.772 31.856 2.681 1.00 0.00 N ATOM 1473 CA GLY A 98 -14.196 33.175 2.482 1.00 0.00 C ATOM 1474 C GLY A 98 -14.652 33.778 1.152 1.00 0.00 C ATOM 1475 O GLY A 98 -14.714 34.998 1.008 1.00 0.00 O ATOM 0 H GLY A 98 -15.614 31.672 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.489 33.831 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.108 33.107 2.501 1.00 0.00 H new TER 1479 GLY A 98