USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -24:sc= 0.517 USER MOD Single : A 7 SER OG : rot 180:sc= -0.703 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 23 SER OG : rot 58:sc= 0.325 USER MOD Single : A 25 SER OG : rot 180:sc= -0.276 USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.0678 (180deg=-0.619) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0177 (180deg=-0.226) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.212 F(o=-0.83,f=-0.21) USER MOD Single : A 33 SER OG : rot -105:sc=-0.00281 USER MOD Single : A 35 MET CE :methyl 134:sc= -0.5 (180deg=-1.18) USER MOD Single : A 36 SER OG : rot -145:sc= 1.54 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.108 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.238 F(o=-2.4!,f=-0.24) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0476) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0372 K(o=-0.037,f=-5!) USER MOD Single : A 55 SER OG : rot 161:sc= -0.679 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.894 F(o=-1.5,f=-0.89) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 80 SER OG : rot -26:sc= 0.616 USER MOD Single : A 82 THR OG1 : rot 51:sc= 0.616 USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00986) USER MOD Single : A 84 THR OG1 : rot 116:sc= 0.702 USER MOD Single : A 91 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.024) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -4.21! F(o=-4.9,f=-4.2!) USER MOD Single : A 105 MET CE :methyl -115:sc= -4.5! (180deg=-10.3!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.76 F(o=-1.7,f=-0.76) USER MOD Single : A 108 SER OG : rot -34:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 5.526 -2.889 -3.853 1.00 44.40 N ATOM 32 CA THR A 3 6.962 -3.127 -3.779 1.00 43.05 C ATOM 33 C THR A 3 7.271 -4.620 -3.757 1.00 44.53 C ATOM 34 O THR A 3 8.280 -5.046 -3.195 1.00 44.14 O ATOM 35 CB THR A 3 7.578 -2.468 -2.531 1.00 31.24 C ATOM 36 OG1 THR A 3 6.620 -2.445 -1.466 1.00 61.24 O ATOM 37 CG2 THR A 3 8.037 -1.051 -2.837 1.00 40.32 C ATOM 0 HA THR A 3 7.403 -2.680 -4.670 1.00 43.05 H new ATOM 0 HB THR A 3 8.445 -3.056 -2.228 1.00 31.24 H new ATOM 0 HG1 THR A 3 5.715 -2.488 -1.839 1.00 61.24 H new ATOM 0 HG21 THR A 3 8.468 -0.607 -1.940 1.00 40.32 H new ATOM 0 HG22 THR A 3 8.787 -1.074 -3.627 1.00 40.32 H new ATOM 0 HG23 THR A 3 7.185 -0.455 -3.163 1.00 40.32 H new ATOM 45 N ASP A 4 6.398 -5.409 -4.372 1.00 52.13 N ATOM 46 CA ASP A 4 6.579 -6.855 -4.425 1.00 33.03 C ATOM 47 C ASP A 4 6.646 -7.342 -5.869 1.00 25.33 C ATOM 48 O ASP A 4 6.871 -8.526 -6.125 1.00 4.53 O ATOM 49 CB ASP A 4 5.438 -7.560 -3.688 1.00 64.15 C ATOM 50 CG ASP A 4 5.899 -8.816 -2.975 1.00 1.10 C ATOM 51 OD1 ASP A 4 6.915 -8.749 -2.252 1.00 23.02 O ATOM 52 OD2 ASP A 4 5.243 -9.865 -3.139 1.00 31.51 O ATOM 0 H ASP A 4 5.557 -5.072 -4.841 1.00 52.13 H new ATOM 0 HA ASP A 4 7.522 -7.097 -3.935 1.00 33.03 H new ATOM 0 HB2 ASP A 4 4.999 -6.874 -2.963 1.00 64.15 H new ATOM 0 HB3 ASP A 4 4.653 -7.817 -4.400 1.00 64.15 H new ATOM 57 N ILE A 5 6.449 -6.423 -6.808 1.00 25.13 N ATOM 58 CA ILE A 5 6.488 -6.759 -8.225 1.00 64.54 C ATOM 59 C ILE A 5 7.193 -5.672 -9.029 1.00 61.13 C ATOM 60 O ILE A 5 8.065 -5.959 -9.851 1.00 55.54 O ATOM 61 CB ILE A 5 5.072 -6.966 -8.794 1.00 61.20 C ATOM 62 CG1 ILE A 5 4.335 -8.051 -8.005 1.00 45.32 C ATOM 63 CG2 ILE A 5 5.142 -7.332 -10.269 1.00 53.42 C ATOM 64 CD1 ILE A 5 3.590 -7.521 -6.801 1.00 14.43 C ATOM 0 H ILE A 5 6.261 -5.440 -6.613 1.00 25.13 H new ATOM 0 HA ILE A 5 7.046 -7.691 -8.312 1.00 64.54 H new ATOM 0 HB ILE A 5 4.518 -6.033 -8.697 1.00 61.20 H new ATOM 0 HG12 ILE A 5 3.629 -8.554 -8.666 1.00 45.32 H new ATOM 0 HG13 ILE A 5 5.054 -8.801 -7.676 1.00 45.32 H new ATOM 0 HG21 ILE A 5 4.133 -7.475 -10.657 1.00 53.42 H new ATOM 0 HG22 ILE A 5 5.632 -6.529 -10.820 1.00 53.42 H new ATOM 0 HG23 ILE A 5 5.711 -8.254 -10.388 1.00 53.42 H new ATOM 0 HD11 ILE A 5 3.092 -8.345 -6.290 1.00 14.43 H new ATOM 0 HD12 ILE A 5 4.294 -7.043 -6.119 1.00 14.43 H new ATOM 0 HD13 ILE A 5 2.847 -6.792 -7.125 1.00 14.43 H new ATOM 76 N LEU A 6 6.812 -4.423 -8.786 1.00 32.13 N ATOM 77 CA LEU A 6 7.408 -3.291 -9.486 1.00 5.35 C ATOM 78 C LEU A 6 7.945 -2.261 -8.497 1.00 11.34 C ATOM 79 O LEU A 6 7.531 -2.224 -7.338 1.00 2.12 O ATOM 80 CB LEU A 6 6.380 -2.639 -10.411 1.00 51.51 C ATOM 81 CG LEU A 6 6.085 -3.380 -11.716 1.00 4.14 C ATOM 82 CD1 LEU A 6 4.697 -3.029 -12.227 1.00 70.03 C ATOM 83 CD2 LEU A 6 7.140 -3.055 -12.763 1.00 51.25 C ATOM 0 H LEU A 6 6.093 -4.169 -8.109 1.00 32.13 H new ATOM 0 HA LEU A 6 8.241 -3.663 -10.084 1.00 5.35 H new ATOM 0 HB2 LEU A 6 5.446 -2.527 -9.861 1.00 51.51 H new ATOM 0 HB3 LEU A 6 6.727 -1.635 -10.657 1.00 51.51 H new ATOM 0 HG LEU A 6 6.116 -4.452 -11.519 1.00 4.14 H new ATOM 0 HD11 LEU A 6 4.505 -3.566 -13.156 1.00 70.03 H new ATOM 0 HD12 LEU A 6 3.953 -3.313 -11.483 1.00 70.03 H new ATOM 0 HD13 LEU A 6 4.637 -1.956 -12.409 1.00 70.03 H new ATOM 0 HD21 LEU A 6 6.915 -3.591 -13.685 1.00 51.25 H new ATOM 0 HD22 LEU A 6 7.141 -1.982 -12.957 1.00 51.25 H new ATOM 0 HD23 LEU A 6 8.121 -3.359 -12.398 1.00 51.25 H new ATOM 95 N SER A 7 8.867 -1.424 -8.963 1.00 34.20 N ATOM 96 CA SER A 7 9.461 -0.394 -8.119 1.00 70.12 C ATOM 97 C SER A 7 8.489 0.763 -7.909 1.00 44.30 C ATOM 98 O SER A 7 7.532 0.948 -8.660 1.00 73.25 O ATOM 99 CB SER A 7 10.758 0.121 -8.745 1.00 4.52 C ATOM 100 OG SER A 7 11.866 -0.121 -7.895 1.00 30.03 O ATOM 0 H SER A 7 9.219 -1.439 -9.920 1.00 34.20 H new ATOM 0 HA SER A 7 9.685 -0.837 -7.149 1.00 70.12 H new ATOM 0 HB2 SER A 7 10.920 -0.366 -9.706 1.00 4.52 H new ATOM 0 HB3 SER A 7 10.672 1.190 -8.940 1.00 4.52 H new ATOM 0 HG SER A 7 12.683 0.216 -8.319 1.00 30.03 H new ATOM 106 N PRO A 8 8.741 1.563 -6.862 1.00 34.12 N ATOM 107 CA PRO A 8 7.901 2.717 -6.527 1.00 74.24 C ATOM 108 C PRO A 8 8.033 3.844 -7.545 1.00 51.52 C ATOM 109 O PRO A 8 7.034 4.376 -8.031 1.00 21.35 O ATOM 110 CB PRO A 8 8.435 3.162 -5.164 1.00 25.41 C ATOM 111 CG PRO A 8 9.846 2.683 -5.136 1.00 31.23 C ATOM 112 CD PRO A 8 9.864 1.402 -5.924 1.00 5.41 C ATOM 0 HA PRO A 8 6.841 2.462 -6.521 1.00 74.24 H new ATOM 0 HB2 PRO A 8 8.382 4.245 -5.052 1.00 25.41 H new ATOM 0 HB3 PRO A 8 7.853 2.729 -4.350 1.00 25.41 H new ATOM 0 HG2 PRO A 8 10.517 3.421 -5.575 1.00 31.23 H new ATOM 0 HG3 PRO A 8 10.181 2.516 -4.112 1.00 31.23 H new ATOM 0 HD2 PRO A 8 10.810 1.266 -6.449 1.00 5.41 H new ATOM 0 HD3 PRO A 8 9.729 0.533 -5.281 1.00 5.41 H new ATOM 120 N SER A 9 9.272 4.205 -7.865 1.00 12.05 N ATOM 121 CA SER A 9 9.534 5.272 -8.823 1.00 3.53 C ATOM 122 C SER A 9 8.808 5.012 -10.139 1.00 14.14 C ATOM 123 O SER A 9 8.171 5.906 -10.696 1.00 51.14 O ATOM 124 CB SER A 9 11.038 5.402 -9.074 1.00 52.32 C ATOM 125 OG SER A 9 11.598 4.162 -9.470 1.00 54.34 O ATOM 0 H SER A 9 10.110 3.774 -7.475 1.00 12.05 H new ATOM 0 HA SER A 9 9.161 6.205 -8.401 1.00 3.53 H new ATOM 0 HB2 SER A 9 11.218 6.149 -9.847 1.00 52.32 H new ATOM 0 HB3 SER A 9 11.532 5.755 -8.169 1.00 52.32 H new ATOM 0 HG SER A 9 12.559 4.272 -9.626 1.00 54.34 H new ATOM 131 N ASP A 10 8.908 3.782 -10.629 1.00 31.51 N ATOM 132 CA ASP A 10 8.260 3.401 -11.879 1.00 11.32 C ATOM 133 C ASP A 10 6.750 3.601 -11.791 1.00 21.22 C ATOM 134 O ASP A 10 6.104 3.966 -12.774 1.00 22.34 O ATOM 135 CB ASP A 10 8.575 1.944 -12.219 1.00 23.23 C ATOM 136 CG ASP A 10 10.025 1.742 -12.615 1.00 54.33 C ATOM 137 OD1 ASP A 10 10.470 2.393 -13.584 1.00 22.54 O ATOM 138 OD2 ASP A 10 10.713 0.934 -11.958 1.00 22.22 O ATOM 0 H ASP A 10 9.432 3.031 -10.180 1.00 31.51 H new ATOM 0 HA ASP A 10 8.648 4.042 -12.671 1.00 11.32 H new ATOM 0 HB2 ASP A 10 8.345 1.315 -11.359 1.00 23.23 H new ATOM 0 HB3 ASP A 10 7.930 1.617 -13.034 1.00 23.23 H new ATOM 143 N ILE A 11 6.194 3.358 -10.609 1.00 3.25 N ATOM 144 CA ILE A 11 4.761 3.511 -10.393 1.00 11.41 C ATOM 145 C ILE A 11 4.376 4.982 -10.278 1.00 4.53 C ATOM 146 O ILE A 11 3.487 5.459 -10.982 1.00 42.13 O ATOM 147 CB ILE A 11 4.300 2.771 -9.123 1.00 43.04 C ATOM 148 CG1 ILE A 11 4.529 1.266 -9.273 1.00 65.41 C ATOM 149 CG2 ILE A 11 2.834 3.064 -8.842 1.00 60.32 C ATOM 150 CD1 ILE A 11 4.743 0.553 -7.956 1.00 43.10 C ATOM 0 H ILE A 11 6.715 3.054 -9.786 1.00 3.25 H new ATOM 0 HA ILE A 11 4.264 3.074 -11.259 1.00 11.41 H new ATOM 0 HB ILE A 11 4.890 3.127 -8.278 1.00 43.04 H new ATOM 0 HG12 ILE A 11 3.671 0.825 -9.780 1.00 65.41 H new ATOM 0 HG13 ILE A 11 5.397 1.101 -9.912 1.00 65.41 H new ATOM 0 HG21 ILE A 11 2.523 2.534 -7.942 1.00 60.32 H new ATOM 0 HG22 ILE A 11 2.698 4.136 -8.697 1.00 60.32 H new ATOM 0 HG23 ILE A 11 2.229 2.732 -9.686 1.00 60.32 H new ATOM 0 HD11 ILE A 11 4.899 -0.510 -8.139 1.00 43.10 H new ATOM 0 HD12 ILE A 11 5.618 0.967 -7.456 1.00 43.10 H new ATOM 0 HD13 ILE A 11 3.866 0.687 -7.323 1.00 43.10 H new ATOM 162 N ALA A 12 5.054 5.697 -9.385 1.00 40.45 N ATOM 163 CA ALA A 12 4.786 7.115 -9.181 1.00 3.45 C ATOM 164 C ALA A 12 4.932 7.895 -10.483 1.00 13.42 C ATOM 165 O ALA A 12 4.370 8.980 -10.634 1.00 34.40 O ATOM 166 CB ALA A 12 5.718 7.680 -8.118 1.00 55.10 C ATOM 0 H ALA A 12 5.792 5.317 -8.792 1.00 40.45 H new ATOM 0 HA ALA A 12 3.756 7.219 -8.840 1.00 3.45 H new ATOM 0 HB1 ALA A 12 5.507 8.740 -7.975 1.00 55.10 H new ATOM 0 HB2 ALA A 12 5.562 7.150 -7.179 1.00 55.10 H new ATOM 0 HB3 ALA A 12 6.753 7.556 -8.438 1.00 55.10 H new ATOM 172 N ALA A 13 5.690 7.337 -11.420 1.00 62.42 N ATOM 173 CA ALA A 13 5.908 7.980 -12.710 1.00 62.51 C ATOM 174 C ALA A 13 4.746 7.712 -13.660 1.00 52.02 C ATOM 175 O ALA A 13 4.510 8.474 -14.597 1.00 70.14 O ATOM 176 CB ALA A 13 7.215 7.501 -13.324 1.00 63.22 C ATOM 0 H ALA A 13 6.164 6.440 -11.310 1.00 62.42 H new ATOM 0 HA ALA A 13 5.969 9.056 -12.546 1.00 62.51 H new ATOM 0 HB1 ALA A 13 7.365 7.989 -14.287 1.00 63.22 H new ATOM 0 HB2 ALA A 13 8.042 7.749 -12.659 1.00 63.22 H new ATOM 0 HB3 ALA A 13 7.176 6.421 -13.467 1.00 63.22 H new ATOM 182 N ALA A 14 4.023 6.625 -13.412 1.00 61.43 N ATOM 183 CA ALA A 14 2.885 6.258 -14.245 1.00 74.32 C ATOM 184 C ALA A 14 1.582 6.796 -13.663 1.00 22.13 C ATOM 185 O ALA A 14 0.620 7.044 -14.391 1.00 21.12 O ATOM 186 CB ALA A 14 2.810 4.746 -14.401 1.00 44.14 C ATOM 0 H ALA A 14 4.205 5.983 -12.641 1.00 61.43 H new ATOM 0 HA ALA A 14 3.027 6.707 -15.228 1.00 74.32 H new ATOM 0 HB1 ALA A 14 1.955 4.487 -15.026 1.00 44.14 H new ATOM 0 HB2 ALA A 14 3.725 4.383 -14.869 1.00 44.14 H new ATOM 0 HB3 ALA A 14 2.696 4.284 -13.420 1.00 44.14 H new ATOM 192 N LEU A 15 1.557 6.974 -12.347 1.00 23.15 N ATOM 193 CA LEU A 15 0.372 7.482 -11.665 1.00 53.55 C ATOM 194 C LEU A 15 0.135 8.950 -12.007 1.00 51.03 C ATOM 195 O LEU A 15 -0.961 9.333 -12.418 1.00 2.04 O ATOM 196 CB LEU A 15 0.518 7.317 -10.152 1.00 23.21 C ATOM 197 CG LEU A 15 0.339 5.898 -9.612 1.00 25.44 C ATOM 198 CD1 LEU A 15 0.476 5.882 -8.097 1.00 71.10 C ATOM 199 CD2 LEU A 15 -1.009 5.332 -10.033 1.00 40.34 C ATOM 0 H LEU A 15 2.345 6.774 -11.730 1.00 23.15 H new ATOM 0 HA LEU A 15 -0.487 6.904 -12.005 1.00 53.55 H new ATOM 0 HB2 LEU A 15 1.506 7.673 -9.861 1.00 23.21 H new ATOM 0 HB3 LEU A 15 -0.210 7.965 -9.664 1.00 23.21 H new ATOM 0 HG LEU A 15 1.122 5.268 -10.034 1.00 25.44 H new ATOM 0 HD11 LEU A 15 0.346 4.864 -7.731 1.00 71.10 H new ATOM 0 HD12 LEU A 15 1.465 6.244 -7.817 1.00 71.10 H new ATOM 0 HD13 LEU A 15 -0.285 6.526 -7.656 1.00 71.10 H new ATOM 0 HD21 LEU A 15 -1.118 4.321 -9.639 1.00 40.34 H new ATOM 0 HD22 LEU A 15 -1.807 5.962 -9.641 1.00 40.34 H new ATOM 0 HD23 LEU A 15 -1.069 5.306 -11.121 1.00 40.34 H new ATOM 211 N ARG A 16 1.170 9.766 -11.837 1.00 52.33 N ATOM 212 CA ARG A 16 1.075 11.192 -12.129 1.00 34.43 C ATOM 213 C ARG A 16 1.027 11.437 -13.634 1.00 74.30 C ATOM 214 O ARG A 16 0.488 12.444 -14.092 1.00 54.41 O ATOM 215 CB ARG A 16 2.261 11.939 -11.517 1.00 52.31 C ATOM 216 CG ARG A 16 2.465 11.653 -10.038 1.00 75.44 C ATOM 217 CD ARG A 16 3.332 12.714 -9.379 1.00 74.14 C ATOM 218 NE ARG A 16 3.307 12.614 -7.923 1.00 33.04 N ATOM 219 CZ ARG A 16 4.044 11.751 -7.233 1.00 35.45 C ATOM 220 NH1 ARG A 16 4.859 10.917 -7.864 1.00 2.35 N ATOM 221 NH2 ARG A 16 3.966 11.720 -5.908 1.00 53.12 N ATOM 0 H ARG A 16 2.084 9.465 -11.499 1.00 52.33 H new ATOM 0 HA ARG A 16 0.151 11.567 -11.688 1.00 34.43 H new ATOM 0 HB2 ARG A 16 3.168 11.669 -12.059 1.00 52.31 H new ATOM 0 HB3 ARG A 16 2.114 13.010 -11.654 1.00 52.31 H new ATOM 0 HG2 ARG A 16 1.497 11.610 -9.538 1.00 75.44 H new ATOM 0 HG3 ARG A 16 2.930 10.675 -9.916 1.00 75.44 H new ATOM 0 HD2 ARG A 16 4.358 12.614 -9.732 1.00 74.14 H new ATOM 0 HD3 ARG A 16 2.987 13.703 -9.680 1.00 74.14 H new ATOM 0 HE ARG A 16 2.690 13.241 -7.407 1.00 33.04 H new ATOM 0 HH11 ARG A 16 4.921 10.937 -8.882 1.00 2.35 H new ATOM 0 HH12 ARG A 16 5.424 10.255 -7.332 1.00 2.35 H new ATOM 0 HH21 ARG A 16 3.340 12.359 -5.419 1.00 53.12 H new ATOM 0 HH22 ARG A 16 4.532 11.057 -5.379 1.00 53.12 H new ATOM 235 N ASP A 17 1.594 10.509 -14.397 1.00 51.34 N ATOM 236 CA ASP A 17 1.616 10.624 -15.851 1.00 75.01 C ATOM 237 C ASP A 17 0.205 10.805 -16.403 1.00 71.50 C ATOM 238 O ASP A 17 -0.047 11.702 -17.208 1.00 12.01 O ATOM 239 CB ASP A 17 2.265 9.386 -16.472 1.00 10.20 C ATOM 240 CG ASP A 17 1.918 9.225 -17.939 1.00 30.41 C ATOM 241 OD1 ASP A 17 1.946 10.237 -18.670 1.00 24.42 O ATOM 242 OD2 ASP A 17 1.617 8.086 -18.356 1.00 1.31 O ATOM 0 H ASP A 17 2.044 9.669 -14.033 1.00 51.34 H new ATOM 0 HA ASP A 17 2.205 11.503 -16.113 1.00 75.01 H new ATOM 0 HB2 ASP A 17 3.347 9.453 -16.363 1.00 10.20 H new ATOM 0 HB3 ASP A 17 1.944 8.499 -15.926 1.00 10.20 H new ATOM 247 N CYS A 18 -0.710 9.946 -15.966 1.00 41.22 N ATOM 248 CA CYS A 18 -2.095 10.010 -16.418 1.00 74.31 C ATOM 249 C CYS A 18 -3.056 9.954 -15.235 1.00 12.11 C ATOM 250 O CYS A 18 -4.115 9.332 -15.312 1.00 70.34 O ATOM 251 CB CYS A 18 -2.391 8.862 -17.385 1.00 52.52 C ATOM 252 SG CYS A 18 -1.444 8.931 -18.924 1.00 23.04 S ATOM 0 H CYS A 18 -0.518 9.198 -15.300 1.00 41.22 H new ATOM 0 HA CYS A 18 -2.239 10.958 -16.936 1.00 74.31 H new ATOM 0 HB2 CYS A 18 -2.182 7.916 -16.884 1.00 52.52 H new ATOM 0 HB3 CYS A 18 -3.454 8.868 -17.625 1.00 52.52 H new ATOM 0 HG CYS A 18 -1.762 7.918 -19.675 1.00 23.04 H new ATOM 258 N GLN A 19 -2.678 10.608 -14.141 1.00 71.40 N ATOM 259 CA GLN A 19 -3.506 10.630 -12.941 1.00 2.12 C ATOM 260 C GLN A 19 -4.932 11.057 -13.271 1.00 51.30 C ATOM 261 O GLN A 19 -5.892 10.556 -12.686 1.00 63.01 O ATOM 262 CB GLN A 19 -2.905 11.576 -11.899 1.00 55.25 C ATOM 263 CG GLN A 19 -2.442 12.903 -12.479 1.00 25.13 C ATOM 264 CD GLN A 19 -2.195 13.951 -11.412 1.00 0.23 C ATOM 265 OE1 GLN A 19 -2.712 15.066 -11.489 1.00 44.35 O ATOM 266 NE2 GLN A 19 -1.402 13.598 -10.407 1.00 11.34 N ATOM 0 H GLN A 19 -1.805 11.129 -14.061 1.00 71.40 H new ATOM 0 HA GLN A 19 -3.535 9.620 -12.531 1.00 2.12 H new ATOM 0 HB2 GLN A 19 -3.646 11.767 -11.123 1.00 55.25 H new ATOM 0 HB3 GLN A 19 -2.059 11.084 -11.418 1.00 55.25 H new ATOM 0 HG2 GLN A 19 -1.526 12.747 -13.048 1.00 25.13 H new ATOM 0 HG3 GLN A 19 -3.193 13.271 -13.178 1.00 25.13 H new ATOM 0 HE21 GLN A 19 -0.995 12.663 -10.383 1.00 11.34 H new ATOM 0 HE22 GLN A 19 -1.200 14.262 -9.659 1.00 11.34 H new ATOM 275 N ALA A 20 -5.063 11.987 -14.212 1.00 32.12 N ATOM 276 CA ALA A 20 -6.372 12.480 -14.621 1.00 14.32 C ATOM 277 C ALA A 20 -7.306 11.329 -14.978 1.00 61.24 C ATOM 278 O ALA A 20 -6.873 10.248 -15.380 1.00 2.51 O ATOM 279 CB ALA A 20 -6.233 13.434 -15.798 1.00 44.10 C ATOM 0 H ALA A 20 -4.279 12.414 -14.705 1.00 32.12 H new ATOM 0 HA ALA A 20 -6.808 13.019 -13.780 1.00 14.32 H new ATOM 0 HB1 ALA A 20 -7.219 13.794 -16.093 1.00 44.10 H new ATOM 0 HB2 ALA A 20 -5.609 14.280 -15.509 1.00 44.10 H new ATOM 0 HB3 ALA A 20 -5.772 12.912 -16.637 1.00 44.10 H new ATOM 285 N PRO A 21 -8.618 11.562 -14.830 1.00 34.03 N ATOM 286 CA PRO A 21 -9.640 10.555 -15.132 1.00 14.44 C ATOM 287 C PRO A 21 -9.759 10.280 -16.627 1.00 10.13 C ATOM 288 O PRO A 21 -9.515 11.161 -17.451 1.00 41.31 O ATOM 289 CB PRO A 21 -10.929 11.188 -14.600 1.00 71.04 C ATOM 290 CG PRO A 21 -10.673 12.655 -14.635 1.00 53.24 C ATOM 291 CD PRO A 21 -9.206 12.826 -14.356 1.00 3.43 C ATOM 0 HA PRO A 21 -9.406 9.589 -14.684 1.00 14.44 H new ATOM 0 HB2 PRO A 21 -11.786 10.921 -15.219 1.00 71.04 H new ATOM 0 HB3 PRO A 21 -11.148 10.848 -13.588 1.00 71.04 H new ATOM 0 HG2 PRO A 21 -10.937 13.074 -15.606 1.00 53.24 H new ATOM 0 HG3 PRO A 21 -11.275 13.174 -13.889 1.00 53.24 H new ATOM 0 HD2 PRO A 21 -8.794 13.684 -14.886 1.00 3.43 H new ATOM 0 HD3 PRO A 21 -9.015 12.985 -13.295 1.00 3.43 H new ATOM 299 N ASP A 22 -10.136 9.053 -16.969 1.00 45.14 N ATOM 300 CA ASP A 22 -10.288 8.662 -18.366 1.00 52.31 C ATOM 301 C ASP A 22 -9.133 9.195 -19.209 1.00 32.43 C ATOM 302 O ASP A 22 -9.313 9.547 -20.374 1.00 51.13 O ATOM 303 CB ASP A 22 -11.618 9.176 -18.919 1.00 54.02 C ATOM 304 CG ASP A 22 -11.638 10.684 -19.072 1.00 12.35 C ATOM 305 OD1 ASP A 22 -12.008 11.374 -18.098 1.00 65.42 O ATOM 306 OD2 ASP A 22 -11.285 11.175 -20.164 1.00 53.35 O ATOM 0 H ASP A 22 -10.342 8.312 -16.299 1.00 45.14 H new ATOM 0 HA ASP A 22 -10.278 7.573 -18.416 1.00 52.31 H new ATOM 0 HB2 ASP A 22 -11.809 8.713 -19.887 1.00 54.02 H new ATOM 0 HB3 ASP A 22 -12.427 8.870 -18.255 1.00 54.02 H new ATOM 311 N SER A 23 -7.948 9.251 -18.610 1.00 64.23 N ATOM 312 CA SER A 23 -6.764 9.745 -19.304 1.00 60.10 C ATOM 313 C SER A 23 -5.749 8.625 -19.511 1.00 43.01 C ATOM 314 O SER A 23 -4.931 8.675 -20.430 1.00 3.11 O ATOM 315 CB SER A 23 -6.125 10.889 -18.515 1.00 24.24 C ATOM 316 OG SER A 23 -6.926 12.056 -18.568 1.00 52.15 O ATOM 0 H SER A 23 -7.782 8.961 -17.646 1.00 64.23 H new ATOM 0 HA SER A 23 -7.074 10.116 -20.281 1.00 60.10 H new ATOM 0 HB2 SER A 23 -5.987 10.586 -17.477 1.00 24.24 H new ATOM 0 HB3 SER A 23 -5.136 11.105 -18.918 1.00 24.24 H new ATOM 0 HG SER A 23 -7.818 11.857 -18.215 1.00 52.15 H new ATOM 322 N PHE A 24 -5.808 7.615 -18.650 1.00 23.23 N ATOM 323 CA PHE A 24 -4.893 6.482 -18.736 1.00 75.02 C ATOM 324 C PHE A 24 -5.598 5.257 -19.311 1.00 34.21 C ATOM 325 O PHE A 24 -6.817 5.253 -19.484 1.00 32.42 O ATOM 326 CB PHE A 24 -4.322 6.154 -17.355 1.00 44.44 C ATOM 327 CG PHE A 24 -5.201 5.248 -16.542 1.00 63.11 C ATOM 328 CD1 PHE A 24 -6.197 5.770 -15.733 1.00 51.22 C ATOM 329 CD2 PHE A 24 -5.031 3.873 -16.587 1.00 12.50 C ATOM 330 CE1 PHE A 24 -7.007 4.938 -14.983 1.00 43.23 C ATOM 331 CE2 PHE A 24 -5.838 3.036 -15.840 1.00 12.45 C ATOM 332 CZ PHE A 24 -6.828 3.570 -15.037 1.00 60.35 C ATOM 0 H PHE A 24 -6.480 7.557 -17.885 1.00 23.23 H new ATOM 0 HA PHE A 24 -4.076 6.757 -19.403 1.00 75.02 H new ATOM 0 HB2 PHE A 24 -3.345 5.686 -17.477 1.00 44.44 H new ATOM 0 HB3 PHE A 24 -4.164 7.082 -16.806 1.00 44.44 H new ATOM 0 HD1 PHE A 24 -6.342 6.839 -15.688 1.00 51.22 H new ATOM 0 HD2 PHE A 24 -4.259 3.451 -17.213 1.00 12.50 H new ATOM 0 HE1 PHE A 24 -7.779 5.358 -14.355 1.00 43.23 H new ATOM 0 HE2 PHE A 24 -5.695 1.966 -15.884 1.00 12.45 H new ATOM 0 HZ PHE A 24 -7.461 2.918 -14.453 1.00 60.35 H new ATOM 342 N SER A 25 -4.822 4.219 -19.606 1.00 32.25 N ATOM 343 CA SER A 25 -5.370 2.989 -20.165 1.00 34.20 C ATOM 344 C SER A 25 -4.801 1.766 -19.451 1.00 51.42 C ATOM 345 O SER A 25 -3.776 1.833 -18.772 1.00 52.44 O ATOM 346 CB SER A 25 -5.068 2.906 -21.662 1.00 73.35 C ATOM 347 OG SER A 25 -6.255 3.014 -22.429 1.00 12.31 O ATOM 0 H SER A 25 -3.812 4.205 -19.467 1.00 32.25 H new ATOM 0 HA SER A 25 -6.450 3.003 -20.019 1.00 34.20 H new ATOM 0 HB2 SER A 25 -4.377 3.702 -21.941 1.00 73.35 H new ATOM 0 HB3 SER A 25 -4.572 1.961 -21.884 1.00 73.35 H new ATOM 0 HG SER A 25 -6.035 2.960 -23.382 1.00 12.31 H new ATOM 353 N PRO A 26 -5.481 0.621 -19.607 1.00 55.03 N ATOM 354 CA PRO A 26 -5.063 -0.639 -18.986 1.00 61.25 C ATOM 355 C PRO A 26 -3.788 -1.197 -19.610 1.00 31.22 C ATOM 356 O PRO A 26 -3.189 -2.137 -19.087 1.00 63.11 O ATOM 357 CB PRO A 26 -6.244 -1.576 -19.254 1.00 45.14 C ATOM 358 CG PRO A 26 -6.897 -1.023 -20.473 1.00 50.55 C ATOM 359 CD PRO A 26 -6.711 0.468 -20.402 1.00 74.04 C ATOM 0 HA PRO A 26 -4.831 -0.515 -17.928 1.00 61.25 H new ATOM 0 HB2 PRO A 26 -5.908 -2.600 -19.415 1.00 45.14 H new ATOM 0 HB3 PRO A 26 -6.933 -1.596 -18.410 1.00 45.14 H new ATOM 0 HG2 PRO A 26 -6.444 -1.430 -21.377 1.00 50.55 H new ATOM 0 HG3 PRO A 26 -7.955 -1.283 -20.501 1.00 50.55 H new ATOM 0 HD2 PRO A 26 -6.606 0.907 -21.394 1.00 74.04 H new ATOM 0 HD3 PRO A 26 -7.561 0.957 -19.926 1.00 74.04 H new ATOM 367 N LYS A 27 -3.378 -0.612 -20.730 1.00 63.30 N ATOM 368 CA LYS A 27 -2.173 -1.049 -21.425 1.00 24.32 C ATOM 369 C LYS A 27 -1.144 0.076 -21.491 1.00 35.42 C ATOM 370 O LYS A 27 -0.071 -0.084 -22.071 1.00 45.14 O ATOM 371 CB LYS A 27 -2.517 -1.523 -22.839 1.00 14.05 C ATOM 372 CG LYS A 27 -3.969 -1.940 -23.003 1.00 43.22 C ATOM 373 CD LYS A 27 -4.309 -3.133 -22.126 1.00 13.20 C ATOM 374 CE LYS A 27 -5.141 -4.159 -22.879 1.00 74.14 C ATOM 375 NZ LYS A 27 -4.411 -4.711 -24.054 1.00 53.33 N ATOM 0 H LYS A 27 -3.863 0.167 -21.176 1.00 63.30 H new ATOM 0 HA LYS A 27 -1.743 -1.879 -20.865 1.00 24.32 H new ATOM 0 HB2 LYS A 27 -2.295 -0.723 -23.546 1.00 14.05 H new ATOM 0 HB3 LYS A 27 -1.874 -2.364 -23.098 1.00 14.05 H new ATOM 0 HG2 LYS A 27 -4.620 -1.103 -22.749 1.00 43.22 H new ATOM 0 HG3 LYS A 27 -4.162 -2.188 -24.047 1.00 43.22 H new ATOM 0 HD2 LYS A 27 -3.390 -3.599 -21.771 1.00 13.20 H new ATOM 0 HD3 LYS A 27 -4.856 -2.795 -21.246 1.00 13.20 H new ATOM 0 HE2 LYS A 27 -5.412 -4.972 -22.205 1.00 74.14 H new ATOM 0 HE3 LYS A 27 -6.071 -3.698 -23.213 1.00 74.14 H new ATOM 0 HZ1 LYS A 27 -4.724 -5.687 -24.230 1.00 53.33 H new ATOM 0 HZ2 LYS A 27 -4.609 -4.127 -24.891 1.00 53.33 H new ATOM 0 HZ3 LYS A 27 -3.389 -4.705 -23.862 1.00 53.33 H new ATOM 389 N LYS A 28 -1.479 1.213 -20.891 1.00 74.01 N ATOM 390 CA LYS A 28 -0.585 2.364 -20.879 1.00 2.31 C ATOM 391 C LYS A 28 0.105 2.503 -19.525 1.00 53.24 C ATOM 392 O LYS A 28 0.797 3.488 -19.268 1.00 51.43 O ATOM 393 CB LYS A 28 -1.361 3.643 -21.201 1.00 74.01 C ATOM 394 CG LYS A 28 -1.766 3.757 -22.661 1.00 15.14 C ATOM 395 CD LYS A 28 -0.563 3.996 -23.556 1.00 44.23 C ATOM 396 CE LYS A 28 -0.984 4.331 -24.979 1.00 11.11 C ATOM 397 NZ LYS A 28 -1.659 5.656 -25.060 1.00 10.00 N ATOM 0 H LYS A 28 -2.364 1.362 -20.406 1.00 74.01 H new ATOM 0 HA LYS A 28 0.178 2.207 -21.642 1.00 2.31 H new ATOM 0 HB2 LYS A 28 -2.256 3.681 -20.580 1.00 74.01 H new ATOM 0 HB3 LYS A 28 -0.751 4.506 -20.933 1.00 74.01 H new ATOM 0 HG2 LYS A 28 -2.275 2.844 -22.971 1.00 15.14 H new ATOM 0 HG3 LYS A 28 -2.477 4.575 -22.780 1.00 15.14 H new ATOM 0 HD2 LYS A 28 0.036 4.812 -23.151 1.00 44.23 H new ATOM 0 HD3 LYS A 28 0.069 3.108 -23.562 1.00 44.23 H new ATOM 0 HE2 LYS A 28 -0.107 4.330 -25.627 1.00 11.11 H new ATOM 0 HE3 LYS A 28 -1.656 3.558 -25.351 1.00 11.11 H new ATOM 0 HZ1 LYS A 28 -1.687 5.971 -26.051 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.629 5.574 -24.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -1.132 6.349 -24.491 1.00 10.00 H new ATOM 411 N PHE A 29 -0.088 1.510 -18.664 1.00 3.03 N ATOM 412 CA PHE A 29 0.516 1.522 -17.336 1.00 63.45 C ATOM 413 C PHE A 29 1.663 0.519 -17.252 1.00 62.41 C ATOM 414 O PHE A 29 2.606 0.700 -16.481 1.00 71.22 O ATOM 415 CB PHE A 29 -0.535 1.202 -16.272 1.00 20.03 C ATOM 416 CG PHE A 29 0.030 1.095 -14.884 1.00 64.13 C ATOM 417 CD1 PHE A 29 1.045 1.942 -14.468 1.00 33.11 C ATOM 418 CD2 PHE A 29 -0.452 0.147 -13.997 1.00 32.44 C ATOM 419 CE1 PHE A 29 1.567 1.846 -13.192 1.00 10.23 C ATOM 420 CE2 PHE A 29 0.066 0.047 -12.719 1.00 73.42 C ATOM 421 CZ PHE A 29 1.077 0.897 -12.317 1.00 24.54 C ATOM 0 H PHE A 29 -0.657 0.687 -18.861 1.00 3.03 H new ATOM 0 HA PHE A 29 0.915 2.520 -17.154 1.00 63.45 H new ATOM 0 HB2 PHE A 29 -1.301 1.977 -16.285 1.00 20.03 H new ATOM 0 HB3 PHE A 29 -1.026 0.264 -16.529 1.00 20.03 H new ATOM 0 HD1 PHE A 29 1.432 2.686 -15.149 1.00 33.11 H new ATOM 0 HD2 PHE A 29 -1.241 -0.522 -14.307 1.00 32.44 H new ATOM 0 HE1 PHE A 29 2.357 2.513 -12.880 1.00 10.23 H new ATOM 0 HE2 PHE A 29 -0.320 -0.695 -12.036 1.00 73.42 H new ATOM 0 HZ PHE A 29 1.484 0.820 -11.320 1.00 24.54 H new ATOM 431 N PHE A 30 1.575 -0.540 -18.050 1.00 61.32 N ATOM 432 CA PHE A 30 2.604 -1.574 -18.066 1.00 12.24 C ATOM 433 C PHE A 30 3.853 -1.087 -18.794 1.00 2.34 C ATOM 434 O PHE A 30 4.887 -1.755 -18.788 1.00 75.03 O ATOM 435 CB PHE A 30 2.072 -2.843 -18.735 1.00 12.31 C ATOM 436 CG PHE A 30 2.283 -2.870 -20.222 1.00 13.42 C ATOM 437 CD1 PHE A 30 3.476 -3.326 -20.757 1.00 43.34 C ATOM 438 CD2 PHE A 30 1.287 -2.438 -21.084 1.00 23.32 C ATOM 439 CE1 PHE A 30 3.674 -3.352 -22.125 1.00 75.23 C ATOM 440 CE2 PHE A 30 1.479 -2.463 -22.452 1.00 54.24 C ATOM 441 CZ PHE A 30 2.674 -2.919 -22.974 1.00 35.13 C ATOM 0 H PHE A 30 0.802 -0.705 -18.694 1.00 61.32 H new ATOM 0 HA PHE A 30 2.872 -1.801 -17.034 1.00 12.24 H new ATOM 0 HB2 PHE A 30 2.560 -3.710 -18.291 1.00 12.31 H new ATOM 0 HB3 PHE A 30 1.006 -2.935 -18.525 1.00 12.31 H new ATOM 0 HD1 PHE A 30 4.261 -3.665 -20.098 1.00 43.34 H new ATOM 0 HD2 PHE A 30 0.351 -2.078 -20.682 1.00 23.32 H new ATOM 0 HE1 PHE A 30 4.609 -3.710 -22.529 1.00 75.23 H new ATOM 0 HE2 PHE A 30 0.695 -2.126 -23.113 1.00 54.24 H new ATOM 0 HZ PHE A 30 2.826 -2.937 -24.043 1.00 35.13 H new ATOM 451 N GLN A 31 3.749 0.081 -19.419 1.00 12.40 N ATOM 452 CA GLN A 31 4.870 0.657 -20.153 1.00 14.44 C ATOM 453 C GLN A 31 5.740 1.510 -19.235 1.00 51.24 C ATOM 454 O GLN A 31 6.967 1.488 -19.331 1.00 63.43 O ATOM 455 CB GLN A 31 4.361 1.502 -21.322 1.00 72.55 C ATOM 456 CG GLN A 31 3.079 0.971 -21.943 1.00 72.24 C ATOM 457 CD GLN A 31 2.655 1.757 -23.168 1.00 72.35 C ATOM 458 OE1 GLN A 31 2.420 3.051 -22.990 1.00 10.31 O flip ATOM 459 NE2 GLN A 31 2.539 1.206 -24.264 1.00 4.43 N flip ATOM 0 H GLN A 31 2.901 0.647 -19.432 1.00 12.40 H new ATOM 0 HA GLN A 31 5.476 -0.161 -20.542 1.00 14.44 H new ATOM 0 HB2 GLN A 31 4.192 2.522 -20.976 1.00 72.55 H new ATOM 0 HB3 GLN A 31 5.134 1.549 -22.089 1.00 72.55 H new ATOM 0 HG2 GLN A 31 3.219 -0.075 -22.217 1.00 72.24 H new ATOM 0 HG3 GLN A 31 2.281 1.002 -21.202 1.00 72.24 H new ATOM 0 HE21 GLN A 31 2.730 0.208 -24.356 1.00 4.43 H new ATOM 0 HE22 GLN A 31 2.252 1.748 -25.079 1.00 4.43 H new ATOM 468 N ILE A 32 5.097 2.261 -18.348 1.00 13.12 N ATOM 469 CA ILE A 32 5.813 3.121 -17.413 1.00 73.53 C ATOM 470 C ILE A 32 6.206 2.356 -16.154 1.00 34.02 C ATOM 471 O ILE A 32 7.156 2.724 -15.463 1.00 72.30 O ATOM 472 CB ILE A 32 4.968 4.345 -17.014 1.00 42.24 C ATOM 473 CG1 ILE A 32 4.577 5.148 -18.256 1.00 53.44 C ATOM 474 CG2 ILE A 32 5.733 5.219 -16.031 1.00 64.35 C ATOM 475 CD1 ILE A 32 3.106 5.053 -18.599 1.00 65.11 C ATOM 0 H ILE A 32 4.082 2.292 -18.257 1.00 13.12 H new ATOM 0 HA ILE A 32 6.713 3.463 -17.924 1.00 73.53 H new ATOM 0 HB ILE A 32 4.057 3.996 -16.528 1.00 42.24 H new ATOM 0 HG12 ILE A 32 4.838 6.195 -18.099 1.00 53.44 H new ATOM 0 HG13 ILE A 32 5.163 4.797 -19.105 1.00 53.44 H new ATOM 0 HG21 ILE A 32 5.123 6.080 -15.758 1.00 64.35 H new ATOM 0 HG22 ILE A 32 5.966 4.642 -15.136 1.00 64.35 H new ATOM 0 HG23 ILE A 32 6.659 5.562 -16.493 1.00 64.35 H new ATOM 0 HD11 ILE A 32 2.901 5.647 -19.490 1.00 65.11 H new ATOM 0 HD12 ILE A 32 2.843 4.012 -18.788 1.00 65.11 H new ATOM 0 HD13 ILE A 32 2.513 5.432 -17.766 1.00 65.11 H new ATOM 487 N SER A 33 5.469 1.289 -15.862 1.00 32.12 N ATOM 488 CA SER A 33 5.739 0.473 -14.684 1.00 73.40 C ATOM 489 C SER A 33 6.582 -0.745 -15.049 1.00 30.41 C ATOM 490 O SER A 33 7.718 -0.886 -14.598 1.00 11.33 O ATOM 491 CB SER A 33 4.427 0.024 -14.037 1.00 60.41 C ATOM 492 OG SER A 33 3.745 -0.907 -14.860 1.00 54.51 O ATOM 0 H SER A 33 4.681 0.970 -16.425 1.00 32.12 H new ATOM 0 HA SER A 33 6.298 1.080 -13.972 1.00 73.40 H new ATOM 0 HB2 SER A 33 4.632 -0.426 -13.066 1.00 60.41 H new ATOM 0 HB3 SER A 33 3.791 0.891 -13.858 1.00 60.41 H new ATOM 0 HG SER A 33 2.985 -0.465 -15.294 1.00 54.51 H new ATOM 498 N GLY A 34 6.016 -1.625 -15.870 1.00 41.21 N ATOM 499 CA GLY A 34 6.729 -2.820 -16.282 1.00 53.13 C ATOM 500 C GLY A 34 6.037 -4.092 -15.833 1.00 54.44 C ATOM 501 O GLY A 34 6.687 -5.033 -15.380 1.00 13.11 O ATOM 0 H GLY A 34 5.077 -1.531 -16.257 1.00 41.21 H new ATOM 0 HA2 GLY A 34 6.825 -2.826 -17.368 1.00 53.13 H new ATOM 0 HA3 GLY A 34 7.739 -2.796 -15.873 1.00 53.13 H new ATOM 505 N MET A 35 4.714 -4.119 -15.958 1.00 73.12 N ATOM 506 CA MET A 35 3.933 -5.285 -15.561 1.00 61.10 C ATOM 507 C MET A 35 4.121 -6.429 -16.553 1.00 3.23 C ATOM 508 O MET A 35 4.426 -7.556 -16.164 1.00 22.23 O ATOM 509 CB MET A 35 2.450 -4.922 -15.459 1.00 25.14 C ATOM 510 CG MET A 35 2.195 -3.605 -14.743 1.00 62.34 C ATOM 511 SD MET A 35 0.442 -3.299 -14.457 1.00 35.10 S ATOM 512 CE MET A 35 0.042 -4.639 -13.338 1.00 22.13 C ATOM 0 H MET A 35 4.161 -3.347 -16.331 1.00 73.12 H new ATOM 0 HA MET A 35 4.288 -5.613 -14.584 1.00 61.10 H new ATOM 0 HB2 MET A 35 2.028 -4.869 -16.462 1.00 25.14 H new ATOM 0 HB3 MET A 35 1.924 -5.719 -14.934 1.00 25.14 H new ATOM 0 HG2 MET A 35 2.720 -3.608 -13.788 1.00 62.34 H new ATOM 0 HG3 MET A 35 2.611 -2.788 -15.333 1.00 62.34 H new ATOM 0 HE1 MET A 35 -0.546 -4.254 -12.505 1.00 22.13 H new ATOM 0 HE2 MET A 35 -0.534 -5.397 -13.869 1.00 22.13 H new ATOM 0 HE3 MET A 35 0.962 -5.083 -12.958 1.00 22.13 H new ATOM 522 N SER A 36 3.937 -6.131 -17.835 1.00 3.21 N ATOM 523 CA SER A 36 4.083 -7.135 -18.882 1.00 32.43 C ATOM 524 C SER A 36 5.444 -7.820 -18.793 1.00 14.44 C ATOM 525 O SER A 36 5.578 -9.004 -19.101 1.00 50.01 O ATOM 526 CB SER A 36 3.911 -6.495 -20.260 1.00 52.33 C ATOM 527 OG SER A 36 5.059 -5.748 -20.623 1.00 25.23 O ATOM 0 H SER A 36 3.686 -5.202 -18.174 1.00 3.21 H new ATOM 0 HA SER A 36 3.307 -7.887 -18.739 1.00 32.43 H new ATOM 0 HB2 SER A 36 3.728 -7.270 -21.004 1.00 52.33 H new ATOM 0 HB3 SER A 36 3.037 -5.844 -20.256 1.00 52.33 H new ATOM 0 HG SER A 36 4.787 -4.962 -21.142 1.00 25.23 H new ATOM 533 N LYS A 37 6.451 -7.065 -18.368 1.00 44.12 N ATOM 534 CA LYS A 37 7.803 -7.596 -18.236 1.00 71.12 C ATOM 535 C LYS A 37 7.862 -8.672 -17.156 1.00 53.24 C ATOM 536 O LYS A 37 8.828 -9.430 -17.073 1.00 32.41 O ATOM 537 CB LYS A 37 8.785 -6.471 -17.904 1.00 1.41 C ATOM 538 CG LYS A 37 8.545 -5.199 -18.700 1.00 25.32 C ATOM 539 CD LYS A 37 8.449 -5.484 -20.189 1.00 44.23 C ATOM 540 CE LYS A 37 9.341 -4.550 -20.994 1.00 30.33 C ATOM 541 NZ LYS A 37 10.782 -4.896 -20.847 1.00 31.31 N ATOM 0 H LYS A 37 6.357 -6.083 -18.109 1.00 44.12 H new ATOM 0 HA LYS A 37 8.084 -8.046 -19.188 1.00 71.12 H new ATOM 0 HB2 LYS A 37 8.716 -6.242 -16.840 1.00 1.41 H new ATOM 0 HB3 LYS A 37 9.801 -6.820 -18.090 1.00 1.41 H new ATOM 0 HG2 LYS A 37 7.625 -4.723 -18.359 1.00 25.32 H new ATOM 0 HG3 LYS A 37 9.356 -4.494 -18.515 1.00 25.32 H new ATOM 0 HD2 LYS A 37 8.735 -6.518 -20.382 1.00 44.23 H new ATOM 0 HD3 LYS A 37 7.415 -5.373 -20.516 1.00 44.23 H new ATOM 0 HE2 LYS A 37 9.061 -4.598 -22.046 1.00 30.33 H new ATOM 0 HE3 LYS A 37 9.179 -3.523 -20.668 1.00 30.33 H new ATOM 0 HZ1 LYS A 37 11.356 -4.237 -21.410 1.00 31.31 H new ATOM 0 HZ2 LYS A 37 11.056 -4.825 -19.846 1.00 31.31 H new ATOM 0 HZ3 LYS A 37 10.942 -5.868 -21.182 1.00 31.31 H new ATOM 555 N LYS A 38 6.822 -8.733 -16.332 1.00 34.32 N ATOM 556 CA LYS A 38 6.753 -9.718 -15.258 1.00 52.25 C ATOM 557 C LYS A 38 6.143 -11.024 -15.757 1.00 22.32 C ATOM 558 O LYS A 38 6.045 -11.255 -16.962 1.00 43.40 O ATOM 559 CB LYS A 38 5.930 -9.172 -14.090 1.00 14.33 C ATOM 560 CG LYS A 38 6.317 -7.762 -13.679 1.00 4.20 C ATOM 561 CD LYS A 38 7.743 -7.706 -13.155 1.00 53.33 C ATOM 562 CE LYS A 38 8.626 -6.833 -14.034 1.00 75.24 C ATOM 563 NZ LYS A 38 10.070 -7.006 -13.715 1.00 13.43 N ATOM 0 H LYS A 38 6.015 -8.112 -16.387 1.00 34.32 H new ATOM 0 HA LYS A 38 7.768 -9.919 -14.916 1.00 52.25 H new ATOM 0 HB2 LYS A 38 4.875 -9.185 -14.363 1.00 14.33 H new ATOM 0 HB3 LYS A 38 6.046 -9.836 -13.233 1.00 14.33 H new ATOM 0 HG2 LYS A 38 6.215 -7.092 -14.533 1.00 4.20 H new ATOM 0 HG3 LYS A 38 5.632 -7.405 -12.910 1.00 4.20 H new ATOM 0 HD2 LYS A 38 7.743 -7.316 -12.137 1.00 53.33 H new ATOM 0 HD3 LYS A 38 8.155 -8.714 -13.110 1.00 53.33 H new ATOM 0 HE2 LYS A 38 8.453 -7.080 -15.081 1.00 75.24 H new ATOM 0 HE3 LYS A 38 8.348 -5.787 -13.903 1.00 75.24 H new ATOM 0 HZ1 LYS A 38 10.638 -6.394 -14.335 1.00 13.43 H new ATOM 0 HZ2 LYS A 38 10.240 -6.746 -12.722 1.00 13.43 H new ATOM 0 HZ3 LYS A 38 10.342 -7.999 -13.864 1.00 13.43 H new ATOM 577 N SER A 39 5.734 -11.876 -14.822 1.00 14.53 N ATOM 578 CA SER A 39 5.135 -13.160 -15.166 1.00 44.14 C ATOM 579 C SER A 39 3.723 -13.271 -14.599 1.00 64.24 C ATOM 580 O SER A 39 3.381 -12.607 -13.621 1.00 24.41 O ATOM 581 CB SER A 39 6.000 -14.307 -14.640 1.00 43.12 C ATOM 582 OG SER A 39 5.746 -15.506 -15.352 1.00 14.42 O ATOM 0 H SER A 39 5.807 -11.700 -13.820 1.00 14.53 H new ATOM 0 HA SER A 39 5.077 -13.226 -16.252 1.00 44.14 H new ATOM 0 HB2 SER A 39 7.054 -14.043 -14.731 1.00 43.12 H new ATOM 0 HB3 SER A 39 5.800 -14.461 -13.580 1.00 43.12 H new ATOM 0 HG SER A 39 6.312 -16.223 -14.998 1.00 14.42 H new ATOM 588 N SER A 40 2.907 -14.116 -15.222 1.00 43.20 N ATOM 589 CA SER A 40 1.531 -14.312 -14.783 1.00 73.40 C ATOM 590 C SER A 40 1.469 -14.543 -13.276 1.00 72.52 C ATOM 591 O SER A 40 0.492 -14.180 -12.621 1.00 61.30 O ATOM 592 CB SER A 40 0.903 -15.498 -15.518 1.00 51.15 C ATOM 593 OG SER A 40 1.884 -16.238 -16.225 1.00 0.54 O ATOM 0 H SER A 40 3.175 -14.675 -16.032 1.00 43.20 H new ATOM 0 HA SER A 40 0.969 -13.408 -15.018 1.00 73.40 H new ATOM 0 HB2 SER A 40 0.399 -16.148 -14.802 1.00 51.15 H new ATOM 0 HB3 SER A 40 0.144 -15.139 -16.212 1.00 51.15 H new ATOM 0 HG SER A 40 1.457 -16.991 -16.685 1.00 0.54 H new ATOM 599 N SER A 41 2.519 -15.151 -12.733 1.00 43.44 N ATOM 600 CA SER A 41 2.584 -15.434 -11.305 1.00 21.55 C ATOM 601 C SER A 41 2.772 -14.150 -10.503 1.00 44.24 C ATOM 602 O SER A 41 2.125 -13.946 -9.477 1.00 23.34 O ATOM 603 CB SER A 41 3.728 -16.406 -11.007 1.00 74.45 C ATOM 604 OG SER A 41 4.946 -15.947 -11.567 1.00 73.23 O ATOM 0 H SER A 41 3.336 -15.457 -13.261 1.00 43.44 H new ATOM 0 HA SER A 41 1.640 -15.892 -11.009 1.00 21.55 H new ATOM 0 HB2 SER A 41 3.840 -16.521 -9.929 1.00 74.45 H new ATOM 0 HB3 SER A 41 3.487 -17.390 -11.409 1.00 74.45 H new ATOM 0 HG SER A 41 5.661 -16.584 -11.361 1.00 73.23 H new ATOM 610 N GLN A 42 3.663 -13.287 -10.981 1.00 63.14 N ATOM 611 CA GLN A 42 3.938 -12.022 -10.310 1.00 31.33 C ATOM 612 C GLN A 42 2.771 -11.054 -10.475 1.00 45.20 C ATOM 613 O GLN A 42 2.485 -10.253 -9.584 1.00 52.32 O ATOM 614 CB GLN A 42 5.219 -11.395 -10.862 1.00 22.13 C ATOM 615 CG GLN A 42 6.448 -11.675 -10.012 1.00 65.24 C ATOM 616 CD GLN A 42 7.675 -10.927 -10.496 1.00 51.21 C ATOM 617 OE1 GLN A 42 7.693 -9.617 -10.279 1.00 72.14 O flip ATOM 618 NE2 GLN A 42 8.596 -11.519 -11.059 1.00 5.15 N flip ATOM 0 H GLN A 42 4.207 -13.441 -11.830 1.00 63.14 H new ATOM 0 HA GLN A 42 4.071 -12.225 -9.247 1.00 31.33 H new ATOM 0 HB2 GLN A 42 5.392 -11.770 -11.871 1.00 22.13 H new ATOM 0 HB3 GLN A 42 5.081 -10.317 -10.942 1.00 22.13 H new ATOM 0 HG2 GLN A 42 6.242 -11.396 -8.979 1.00 65.24 H new ATOM 0 HG3 GLN A 42 6.654 -12.745 -10.019 1.00 65.24 H new ATOM 0 HE21 GLN A 42 8.541 -12.527 -11.205 1.00 5.15 H new ATOM 0 HE22 GLN A 42 9.415 -11.002 -11.379 1.00 5.15 H new ATOM 627 N LEU A 43 2.102 -11.132 -11.620 1.00 10.23 N ATOM 628 CA LEU A 43 0.966 -10.261 -11.902 1.00 72.44 C ATOM 629 C LEU A 43 -0.248 -10.663 -11.070 1.00 42.32 C ATOM 630 O LEU A 43 -1.193 -9.889 -10.917 1.00 51.24 O ATOM 631 CB LEU A 43 0.617 -10.312 -13.391 1.00 22.30 C ATOM 632 CG LEU A 43 1.769 -10.043 -14.360 1.00 2.33 C ATOM 633 CD1 LEU A 43 1.477 -10.656 -15.720 1.00 62.32 C ATOM 634 CD2 LEU A 43 2.018 -8.547 -14.489 1.00 71.05 C ATOM 0 H LEU A 43 2.326 -11.789 -12.368 1.00 10.23 H new ATOM 0 HA LEU A 43 1.246 -9.242 -11.635 1.00 72.44 H new ATOM 0 HB2 LEU A 43 0.204 -11.296 -13.613 1.00 22.30 H new ATOM 0 HB3 LEU A 43 -0.171 -9.584 -13.584 1.00 22.30 H new ATOM 0 HG LEU A 43 2.670 -10.508 -13.961 1.00 2.33 H new ATOM 0 HD11 LEU A 43 2.308 -10.454 -16.396 1.00 62.32 H new ATOM 0 HD12 LEU A 43 1.349 -11.733 -15.614 1.00 62.32 H new ATOM 0 HD13 LEU A 43 0.564 -10.221 -16.127 1.00 62.32 H new ATOM 0 HD21 LEU A 43 2.841 -8.374 -15.182 1.00 71.05 H new ATOM 0 HD22 LEU A 43 1.118 -8.059 -14.865 1.00 71.05 H new ATOM 0 HD23 LEU A 43 2.273 -8.135 -13.513 1.00 71.05 H new ATOM 646 N LYS A 44 -0.214 -11.877 -10.532 1.00 33.00 N ATOM 647 CA LYS A 44 -1.309 -12.381 -9.712 1.00 32.43 C ATOM 648 C LYS A 44 -1.336 -11.687 -8.354 1.00 31.23 C ATOM 649 O LYS A 44 -2.401 -11.481 -7.774 1.00 15.23 O ATOM 650 CB LYS A 44 -1.176 -13.894 -9.521 1.00 2.14 C ATOM 651 CG LYS A 44 -1.824 -14.706 -10.628 1.00 63.42 C ATOM 652 CD LYS A 44 -1.374 -16.157 -10.592 1.00 22.32 C ATOM 653 CE LYS A 44 -1.738 -16.821 -9.273 1.00 12.13 C ATOM 654 NZ LYS A 44 -0.575 -16.889 -8.346 1.00 4.12 N ATOM 0 H LYS A 44 0.560 -12.530 -10.649 1.00 33.00 H new ATOM 0 HA LYS A 44 -2.245 -12.167 -10.228 1.00 32.43 H new ATOM 0 HB2 LYS A 44 -0.119 -14.153 -9.463 1.00 2.14 H new ATOM 0 HB3 LYS A 44 -1.625 -14.172 -8.567 1.00 2.14 H new ATOM 0 HG2 LYS A 44 -2.908 -14.658 -10.529 1.00 63.42 H new ATOM 0 HG3 LYS A 44 -1.573 -14.270 -11.595 1.00 63.42 H new ATOM 0 HD2 LYS A 44 -1.836 -16.703 -11.415 1.00 22.32 H new ATOM 0 HD3 LYS A 44 -0.295 -16.208 -10.741 1.00 22.32 H new ATOM 0 HE2 LYS A 44 -2.548 -16.267 -8.799 1.00 12.13 H new ATOM 0 HE3 LYS A 44 -2.110 -17.828 -9.464 1.00 12.13 H new ATOM 0 HZ1 LYS A 44 -0.911 -16.835 -7.363 1.00 4.12 H new ATOM 0 HZ2 LYS A 44 -0.068 -17.786 -8.490 1.00 4.12 H new ATOM 0 HZ3 LYS A 44 0.068 -16.094 -8.536 1.00 4.12 H new ATOM 668 N GLU A 45 -0.158 -11.328 -7.854 1.00 24.51 N ATOM 669 CA GLU A 45 -0.048 -10.657 -6.564 1.00 51.33 C ATOM 670 C GLU A 45 -0.910 -9.398 -6.532 1.00 1.23 C ATOM 671 O GLU A 45 -1.662 -9.172 -5.583 1.00 24.12 O ATOM 672 CB GLU A 45 1.411 -10.297 -6.274 1.00 35.22 C ATOM 673 CG GLU A 45 2.185 -11.406 -5.581 1.00 74.34 C ATOM 674 CD GLU A 45 1.696 -11.665 -4.170 1.00 33.34 C ATOM 675 OE1 GLU A 45 0.823 -10.909 -3.695 1.00 52.12 O ATOM 676 OE2 GLU A 45 2.187 -12.625 -3.539 1.00 74.32 O ATOM 0 H GLU A 45 0.733 -11.490 -8.322 1.00 24.51 H new ATOM 0 HA GLU A 45 -0.405 -11.342 -5.795 1.00 51.33 H new ATOM 0 HB2 GLU A 45 1.909 -10.049 -7.212 1.00 35.22 H new ATOM 0 HB3 GLU A 45 1.439 -9.402 -5.652 1.00 35.22 H new ATOM 0 HG2 GLU A 45 2.100 -12.323 -6.165 1.00 74.34 H new ATOM 0 HG3 GLU A 45 3.242 -11.143 -5.552 1.00 74.34 H new ATOM 683 N ILE A 46 -0.794 -8.582 -7.574 1.00 14.21 N ATOM 684 CA ILE A 46 -1.563 -7.346 -7.665 1.00 63.50 C ATOM 685 C ILE A 46 -3.054 -7.612 -7.486 1.00 44.12 C ATOM 686 O ILE A 46 -3.744 -6.882 -6.775 1.00 12.12 O ATOM 687 CB ILE A 46 -1.337 -6.641 -9.015 1.00 64.24 C ATOM 688 CG1 ILE A 46 0.154 -6.374 -9.233 1.00 22.12 C ATOM 689 CG2 ILE A 46 -2.127 -5.343 -9.074 1.00 0.44 C ATOM 690 CD1 ILE A 46 0.686 -6.937 -10.532 1.00 72.31 C ATOM 0 H ILE A 46 -0.176 -8.754 -8.367 1.00 14.21 H new ATOM 0 HA ILE A 46 -1.213 -6.697 -6.862 1.00 63.50 H new ATOM 0 HB ILE A 46 -1.690 -7.295 -9.813 1.00 64.24 H new ATOM 0 HG12 ILE A 46 0.328 -5.298 -9.214 1.00 22.12 H new ATOM 0 HG13 ILE A 46 0.716 -6.803 -8.403 1.00 22.12 H new ATOM 0 HG21 ILE A 46 -1.957 -4.857 -10.034 1.00 0.44 H new ATOM 0 HG22 ILE A 46 -3.189 -5.558 -8.960 1.00 0.44 H new ATOM 0 HG23 ILE A 46 -1.802 -4.682 -8.270 1.00 0.44 H new ATOM 0 HD11 ILE A 46 1.749 -6.710 -10.619 1.00 72.31 H new ATOM 0 HD12 ILE A 46 0.544 -8.018 -10.546 1.00 72.31 H new ATOM 0 HD13 ILE A 46 0.150 -6.490 -11.369 1.00 72.31 H new ATOM 702 N PHE A 47 -3.544 -8.663 -8.135 1.00 41.22 N ATOM 703 CA PHE A 47 -4.954 -9.026 -8.047 1.00 65.05 C ATOM 704 C PHE A 47 -5.383 -9.192 -6.593 1.00 22.33 C ATOM 705 O PHE A 47 -6.491 -8.814 -6.214 1.00 54.43 O ATOM 706 CB PHE A 47 -5.218 -10.320 -8.820 1.00 24.10 C ATOM 707 CG PHE A 47 -6.232 -11.213 -8.164 1.00 65.43 C ATOM 708 CD1 PHE A 47 -5.842 -12.150 -7.221 1.00 21.22 C ATOM 709 CD2 PHE A 47 -7.574 -11.117 -8.492 1.00 13.40 C ATOM 710 CE1 PHE A 47 -6.772 -12.974 -6.615 1.00 55.52 C ATOM 711 CE2 PHE A 47 -8.509 -11.937 -7.889 1.00 54.25 C ATOM 712 CZ PHE A 47 -8.108 -12.867 -6.951 1.00 21.31 C ATOM 0 H PHE A 47 -2.986 -9.278 -8.727 1.00 41.22 H new ATOM 0 HA PHE A 47 -5.540 -8.220 -8.490 1.00 65.05 H new ATOM 0 HB2 PHE A 47 -5.561 -10.071 -9.824 1.00 24.10 H new ATOM 0 HB3 PHE A 47 -4.281 -10.866 -8.929 1.00 24.10 H new ATOM 0 HD1 PHE A 47 -4.799 -12.238 -6.956 1.00 21.22 H new ATOM 0 HD2 PHE A 47 -7.894 -10.393 -9.227 1.00 13.40 H new ATOM 0 HE1 PHE A 47 -6.455 -13.700 -5.881 1.00 55.52 H new ATOM 0 HE2 PHE A 47 -9.553 -11.850 -8.152 1.00 54.25 H new ATOM 0 HZ PHE A 47 -8.837 -13.510 -6.481 1.00 21.31 H new ATOM 722 N ARG A 48 -4.497 -9.762 -5.782 1.00 41.30 N ATOM 723 CA ARG A 48 -4.784 -9.980 -4.369 1.00 61.34 C ATOM 724 C ARG A 48 -4.929 -8.652 -3.632 1.00 73.14 C ATOM 725 O ARG A 48 -5.420 -8.608 -2.504 1.00 2.03 O ATOM 726 CB ARG A 48 -3.675 -10.815 -3.725 1.00 53.40 C ATOM 727 CG ARG A 48 -4.171 -12.111 -3.106 1.00 23.23 C ATOM 728 CD ARG A 48 -5.090 -11.848 -1.923 1.00 61.12 C ATOM 729 NE ARG A 48 -4.383 -11.941 -0.649 1.00 5.42 N ATOM 730 CZ ARG A 48 -4.958 -11.722 0.528 1.00 23.25 C ATOM 731 NH1 ARG A 48 -6.242 -11.401 0.593 1.00 13.20 N ATOM 732 NH2 ARG A 48 -4.247 -11.826 1.645 1.00 54.44 N ATOM 0 H ARG A 48 -3.575 -10.081 -6.079 1.00 41.30 H new ATOM 0 HA ARG A 48 -5.727 -10.521 -4.295 1.00 61.34 H new ATOM 0 HB2 ARG A 48 -2.922 -11.047 -4.478 1.00 53.40 H new ATOM 0 HB3 ARG A 48 -3.183 -10.219 -2.956 1.00 53.40 H new ATOM 0 HG2 ARG A 48 -4.702 -12.695 -3.858 1.00 23.23 H new ATOM 0 HG3 ARG A 48 -3.320 -12.709 -2.781 1.00 23.23 H new ATOM 0 HD2 ARG A 48 -5.532 -10.856 -2.021 1.00 61.12 H new ATOM 0 HD3 ARG A 48 -5.911 -12.565 -1.935 1.00 61.12 H new ATOM 0 HE ARG A 48 -3.393 -12.188 -0.664 1.00 5.42 H new ATOM 0 HH11 ARG A 48 -6.792 -11.321 -0.262 1.00 13.20 H new ATOM 0 HH12 ARG A 48 -6.681 -11.233 1.499 1.00 13.20 H new ATOM 0 HH21 ARG A 48 -3.259 -12.074 1.599 1.00 54.44 H new ATOM 0 HH22 ARG A 48 -4.689 -11.658 2.549 1.00 54.44 H new ATOM 746 N ILE A 49 -4.500 -7.573 -4.278 1.00 23.12 N ATOM 747 CA ILE A 49 -4.583 -6.245 -3.684 1.00 3.42 C ATOM 748 C ILE A 49 -5.790 -5.480 -4.215 1.00 12.42 C ATOM 749 O ILE A 49 -6.189 -4.459 -3.652 1.00 34.43 O ATOM 750 CB ILE A 49 -3.308 -5.425 -3.958 1.00 53.43 C ATOM 751 CG1 ILE A 49 -2.063 -6.258 -3.649 1.00 41.04 C ATOM 752 CG2 ILE A 49 -3.314 -4.145 -3.135 1.00 30.44 C ATOM 753 CD1 ILE A 49 -2.008 -6.756 -2.222 1.00 3.30 C ATOM 0 H ILE A 49 -4.092 -7.593 -5.212 1.00 23.12 H new ATOM 0 HA ILE A 49 -4.690 -6.386 -2.609 1.00 3.42 H new ATOM 0 HB ILE A 49 -3.288 -5.155 -5.014 1.00 53.43 H new ATOM 0 HG12 ILE A 49 -2.031 -7.112 -4.325 1.00 41.04 H new ATOM 0 HG13 ILE A 49 -1.175 -5.658 -3.850 1.00 41.04 H new ATOM 0 HG21 ILE A 49 -2.407 -3.577 -3.340 1.00 30.44 H new ATOM 0 HG22 ILE A 49 -4.185 -3.546 -3.400 1.00 30.44 H new ATOM 0 HG23 ILE A 49 -3.354 -4.394 -2.075 1.00 30.44 H new ATOM 0 HD11 ILE A 49 -1.099 -7.339 -2.075 1.00 3.30 H new ATOM 0 HD12 ILE A 49 -2.009 -5.906 -1.540 1.00 3.30 H new ATOM 0 HD13 ILE A 49 -2.877 -7.383 -2.022 1.00 3.30 H new ATOM 765 N LEU A 50 -6.369 -5.979 -5.301 1.00 34.42 N ATOM 766 CA LEU A 50 -7.534 -5.344 -5.908 1.00 20.31 C ATOM 767 C LEU A 50 -8.827 -5.929 -5.348 1.00 2.10 C ATOM 768 O LEU A 50 -9.868 -5.274 -5.351 1.00 72.05 O ATOM 769 CB LEU A 50 -7.499 -5.516 -7.427 1.00 71.55 C ATOM 770 CG LEU A 50 -6.827 -4.391 -8.215 1.00 61.52 C ATOM 771 CD1 LEU A 50 -5.391 -4.760 -8.552 1.00 64.44 C ATOM 772 CD2 LEU A 50 -7.612 -4.084 -9.482 1.00 71.40 C ATOM 0 H LEU A 50 -6.051 -6.822 -5.780 1.00 34.42 H new ATOM 0 HA LEU A 50 -7.504 -4.281 -5.668 1.00 20.31 H new ATOM 0 HB2 LEU A 50 -6.985 -6.450 -7.655 1.00 71.55 H new ATOM 0 HB3 LEU A 50 -8.523 -5.621 -7.784 1.00 71.55 H new ATOM 0 HG LEU A 50 -6.814 -3.496 -7.594 1.00 61.52 H new ATOM 0 HD11 LEU A 50 -4.929 -3.948 -9.113 1.00 64.44 H new ATOM 0 HD12 LEU A 50 -4.833 -4.929 -7.631 1.00 64.44 H new ATOM 0 HD13 LEU A 50 -5.381 -5.669 -9.154 1.00 64.44 H new ATOM 0 HD21 LEU A 50 -7.119 -3.281 -10.030 1.00 71.40 H new ATOM 0 HD22 LEU A 50 -7.657 -4.976 -10.107 1.00 71.40 H new ATOM 0 HD23 LEU A 50 -8.623 -3.775 -9.218 1.00 71.40 H new ATOM 784 N ASP A 51 -8.751 -7.165 -4.865 1.00 50.05 N ATOM 785 CA ASP A 51 -9.915 -7.837 -4.300 1.00 71.51 C ATOM 786 C ASP A 51 -10.307 -7.215 -2.963 1.00 61.24 C ATOM 787 O ASP A 51 -9.711 -7.515 -1.930 1.00 11.34 O ATOM 788 CB ASP A 51 -9.629 -9.329 -4.117 1.00 31.33 C ATOM 789 CG ASP A 51 -10.892 -10.135 -3.890 1.00 30.10 C ATOM 790 OD1 ASP A 51 -12.041 -9.475 -3.980 1.00 21.25 O ATOM 791 OD2 ASP A 51 -10.836 -11.339 -3.637 1.00 41.14 O ATOM 0 H ASP A 51 -7.896 -7.721 -4.854 1.00 50.05 H new ATOM 0 HA ASP A 51 -10.746 -7.715 -4.994 1.00 71.51 H new ATOM 0 HB2 ASP A 51 -9.113 -9.708 -4.999 1.00 31.33 H new ATOM 0 HB3 ASP A 51 -8.956 -9.466 -3.270 1.00 31.33 H new ATOM 796 N ASN A 52 -11.314 -6.348 -2.993 1.00 5.10 N ATOM 797 CA ASN A 52 -11.785 -5.683 -1.784 1.00 34.13 C ATOM 798 C ASN A 52 -12.939 -6.457 -1.153 1.00 13.52 C ATOM 799 O ASN A 52 -13.570 -5.987 -0.205 1.00 62.50 O ATOM 800 CB ASN A 52 -12.229 -4.254 -2.102 1.00 44.23 C ATOM 801 CG ASN A 52 -11.213 -3.220 -1.654 1.00 73.23 C ATOM 802 OD1 ASN A 52 -11.529 -2.320 -0.876 1.00 31.31 O ATOM 803 ND2 ASN A 52 -9.986 -3.345 -2.146 1.00 21.13 N ATOM 0 H ASN A 52 -11.819 -6.090 -3.841 1.00 5.10 H new ATOM 0 HA ASN A 52 -10.960 -5.650 -1.073 1.00 34.13 H new ATOM 0 HB2 ASN A 52 -12.393 -4.158 -3.175 1.00 44.23 H new ATOM 0 HB3 ASN A 52 -13.184 -4.056 -1.615 1.00 44.23 H new ATOM 0 HD21 ASN A 52 -9.260 -2.679 -1.882 1.00 21.13 H new ATOM 0 HD22 ASN A 52 -9.769 -4.107 -2.788 1.00 21.13 H new ATOM 810 N ASP A 53 -13.209 -7.644 -1.685 1.00 13.54 N ATOM 811 CA ASP A 53 -14.286 -8.484 -1.173 1.00 50.50 C ATOM 812 C ASP A 53 -13.762 -9.863 -0.787 1.00 72.32 C ATOM 813 O ASP A 53 -14.454 -10.637 -0.125 1.00 43.33 O ATOM 814 CB ASP A 53 -15.396 -8.619 -2.217 1.00 23.12 C ATOM 815 CG ASP A 53 -15.595 -7.348 -3.018 1.00 52.22 C ATOM 816 OD1 ASP A 53 -15.605 -6.258 -2.409 1.00 35.24 O ATOM 817 OD2 ASP A 53 -15.742 -7.442 -4.255 1.00 61.40 O ATOM 0 H ASP A 53 -12.697 -8.046 -2.470 1.00 13.54 H new ATOM 0 HA ASP A 53 -14.693 -8.008 -0.281 1.00 50.50 H new ATOM 0 HB2 ASP A 53 -15.156 -9.438 -2.895 1.00 23.12 H new ATOM 0 HB3 ASP A 53 -16.329 -8.881 -1.719 1.00 23.12 H new ATOM 822 N GLN A 54 -12.537 -10.164 -1.207 1.00 35.33 N ATOM 823 CA GLN A 54 -11.922 -11.452 -0.906 1.00 55.22 C ATOM 824 C GLN A 54 -12.752 -12.598 -1.476 1.00 14.34 C ATOM 825 O GLN A 54 -12.580 -13.754 -1.090 1.00 5.32 O ATOM 826 CB GLN A 54 -11.763 -11.624 0.605 1.00 23.13 C ATOM 827 CG GLN A 54 -11.210 -10.392 1.303 1.00 3.10 C ATOM 828 CD GLN A 54 -9.722 -10.211 1.075 1.00 1.14 C ATOM 829 OE1 GLN A 54 -8.913 -11.040 1.492 1.00 21.41 O ATOM 830 NE2 GLN A 54 -9.353 -9.122 0.411 1.00 65.21 N ATOM 0 H GLN A 54 -11.952 -9.534 -1.756 1.00 35.33 H new ATOM 0 HA GLN A 54 -10.937 -11.474 -1.373 1.00 55.22 H new ATOM 0 HB2 GLN A 54 -12.732 -11.872 1.038 1.00 23.13 H new ATOM 0 HB3 GLN A 54 -11.102 -12.469 0.799 1.00 23.13 H new ATOM 0 HG2 GLN A 54 -11.739 -9.508 0.945 1.00 3.10 H new ATOM 0 HG3 GLN A 54 -11.403 -10.468 2.373 1.00 3.10 H new ATOM 0 HE21 GLN A 54 -10.058 -8.461 0.083 1.00 65.21 H new ATOM 0 HE22 GLN A 54 -8.365 -8.946 0.228 1.00 65.21 H new ATOM 839 N SER A 55 -13.654 -12.269 -2.395 1.00 51.21 N ATOM 840 CA SER A 55 -14.514 -13.270 -3.015 1.00 32.12 C ATOM 841 C SER A 55 -13.732 -14.113 -4.017 1.00 64.02 C ATOM 842 O SER A 55 -14.058 -15.275 -4.257 1.00 41.30 O ATOM 843 CB SER A 55 -15.697 -12.596 -3.712 1.00 52.31 C ATOM 844 OG SER A 55 -15.348 -11.301 -4.171 1.00 72.44 O ATOM 0 H SER A 55 -13.808 -11.317 -2.727 1.00 51.21 H new ATOM 0 HA SER A 55 -14.890 -13.926 -2.230 1.00 32.12 H new ATOM 0 HB2 SER A 55 -16.024 -13.207 -4.553 1.00 52.31 H new ATOM 0 HB3 SER A 55 -16.538 -12.526 -3.022 1.00 52.31 H new ATOM 0 HG SER A 55 -15.987 -11.013 -4.856 1.00 72.44 H new ATOM 850 N GLY A 56 -12.695 -13.518 -4.600 1.00 55.34 N ATOM 851 CA GLY A 56 -11.882 -14.227 -5.570 1.00 62.13 C ATOM 852 C GLY A 56 -11.709 -13.451 -6.861 1.00 14.12 C ATOM 853 O GLY A 56 -10.795 -13.723 -7.640 1.00 15.42 O ATOM 0 H GLY A 56 -12.404 -12.558 -4.417 1.00 55.34 H new ATOM 0 HA2 GLY A 56 -10.902 -14.431 -5.138 1.00 62.13 H new ATOM 0 HA3 GLY A 56 -12.341 -15.191 -5.788 1.00 62.13 H new ATOM 857 N PHE A 57 -12.591 -12.483 -7.089 1.00 45.24 N ATOM 858 CA PHE A 57 -12.533 -11.666 -8.296 1.00 73.44 C ATOM 859 C PHE A 57 -12.579 -10.181 -7.951 1.00 14.22 C ATOM 860 O PHE A 57 -12.816 -9.807 -6.801 1.00 61.35 O ATOM 861 CB PHE A 57 -13.691 -12.020 -9.232 1.00 51.01 C ATOM 862 CG PHE A 57 -13.802 -13.490 -9.519 1.00 73.12 C ATOM 863 CD1 PHE A 57 -14.468 -14.332 -8.643 1.00 72.13 C ATOM 864 CD2 PHE A 57 -13.240 -14.030 -10.665 1.00 33.11 C ATOM 865 CE1 PHE A 57 -14.573 -15.685 -8.905 1.00 23.34 C ATOM 866 CE2 PHE A 57 -13.342 -15.382 -10.932 1.00 21.33 C ATOM 867 CZ PHE A 57 -14.008 -16.211 -10.050 1.00 22.20 C ATOM 0 H PHE A 57 -13.354 -12.245 -6.455 1.00 45.24 H new ATOM 0 HA PHE A 57 -11.590 -11.874 -8.801 1.00 73.44 H new ATOM 0 HB2 PHE A 57 -14.625 -11.673 -8.789 1.00 51.01 H new ATOM 0 HB3 PHE A 57 -13.565 -11.483 -10.172 1.00 51.01 H new ATOM 0 HD1 PHE A 57 -14.910 -13.926 -7.745 1.00 72.13 H new ATOM 0 HD2 PHE A 57 -12.717 -13.387 -11.357 1.00 33.11 H new ATOM 0 HE1 PHE A 57 -15.096 -16.330 -8.215 1.00 23.34 H new ATOM 0 HE2 PHE A 57 -12.901 -15.790 -11.830 1.00 21.33 H new ATOM 0 HZ PHE A 57 -14.087 -17.268 -10.256 1.00 22.20 H new ATOM 877 N ILE A 58 -12.351 -9.339 -8.953 1.00 72.12 N ATOM 878 CA ILE A 58 -12.367 -7.895 -8.756 1.00 51.00 C ATOM 879 C ILE A 58 -13.502 -7.245 -9.540 1.00 73.52 C ATOM 880 O ILE A 58 -13.281 -6.656 -10.597 1.00 41.41 O ATOM 881 CB ILE A 58 -11.033 -7.254 -9.181 1.00 24.14 C ATOM 882 CG1 ILE A 58 -9.865 -7.926 -8.455 1.00 13.04 C ATOM 883 CG2 ILE A 58 -11.049 -5.759 -8.898 1.00 73.31 C ATOM 884 CD1 ILE A 58 -8.568 -7.889 -9.232 1.00 53.11 C ATOM 0 H ILE A 58 -12.153 -9.632 -9.910 1.00 72.12 H new ATOM 0 HA ILE A 58 -12.520 -7.724 -7.690 1.00 51.00 H new ATOM 0 HB ILE A 58 -10.903 -7.400 -10.253 1.00 24.14 H new ATOM 0 HG12 ILE A 58 -9.716 -7.437 -7.492 1.00 13.04 H new ATOM 0 HG13 ILE A 58 -10.125 -8.964 -8.248 1.00 13.04 H new ATOM 0 HG21 ILE A 58 -10.099 -5.321 -9.204 1.00 73.31 H new ATOM 0 HG22 ILE A 58 -11.861 -5.292 -9.456 1.00 73.31 H new ATOM 0 HG23 ILE A 58 -11.199 -5.592 -7.831 1.00 73.31 H new ATOM 0 HD11 ILE A 58 -7.785 -8.383 -8.657 1.00 53.11 H new ATOM 0 HD12 ILE A 58 -8.699 -8.404 -10.184 1.00 53.11 H new ATOM 0 HD13 ILE A 58 -8.284 -6.853 -9.416 1.00 53.11 H new ATOM 896 N GLU A 59 -14.718 -7.357 -9.014 1.00 22.34 N ATOM 897 CA GLU A 59 -15.888 -6.780 -9.665 1.00 3.54 C ATOM 898 C GLU A 59 -15.657 -5.307 -9.991 1.00 11.34 C ATOM 899 O GLU A 59 -14.692 -4.702 -9.525 1.00 51.40 O ATOM 900 CB GLU A 59 -17.121 -6.929 -8.772 1.00 13.52 C ATOM 901 CG GLU A 59 -17.265 -8.311 -8.158 1.00 1.02 C ATOM 902 CD GLU A 59 -17.045 -8.309 -6.658 1.00 1.35 C ATOM 903 OE1 GLU A 59 -17.690 -7.495 -5.964 1.00 31.21 O ATOM 904 OE2 GLU A 59 -16.227 -9.121 -6.177 1.00 71.33 O ATOM 0 H GLU A 59 -14.918 -7.842 -8.139 1.00 22.34 H new ATOM 0 HA GLU A 59 -16.057 -7.319 -10.597 1.00 3.54 H new ATOM 0 HB2 GLU A 59 -17.072 -6.189 -7.973 1.00 13.52 H new ATOM 0 HB3 GLU A 59 -18.013 -6.706 -9.358 1.00 13.52 H new ATOM 0 HG2 GLU A 59 -18.260 -8.699 -8.375 1.00 1.02 H new ATOM 0 HG3 GLU A 59 -16.550 -8.988 -8.625 1.00 1.02 H new ATOM 911 N GLU A 60 -16.550 -4.737 -10.794 1.00 33.51 N ATOM 912 CA GLU A 60 -16.443 -3.336 -11.183 1.00 72.33 C ATOM 913 C GLU A 60 -16.572 -2.423 -9.968 1.00 14.41 C ATOM 914 O GLU A 60 -16.018 -1.324 -9.942 1.00 43.24 O ATOM 915 CB GLU A 60 -17.518 -2.987 -12.214 1.00 53.14 C ATOM 916 CG GLU A 60 -17.194 -3.468 -13.619 1.00 31.13 C ATOM 917 CD GLU A 60 -18.434 -3.655 -14.472 1.00 44.31 C ATOM 918 OE1 GLU A 60 -19.407 -4.262 -13.978 1.00 52.44 O ATOM 919 OE2 GLU A 60 -18.430 -3.195 -15.633 1.00 12.42 O ATOM 0 H GLU A 60 -17.355 -5.224 -11.188 1.00 33.51 H new ATOM 0 HA GLU A 60 -15.460 -3.183 -11.628 1.00 72.33 H new ATOM 0 HB2 GLU A 60 -18.466 -3.423 -11.899 1.00 53.14 H new ATOM 0 HB3 GLU A 60 -17.655 -1.906 -12.232 1.00 53.14 H new ATOM 0 HG2 GLU A 60 -16.531 -2.750 -14.101 1.00 31.13 H new ATOM 0 HG3 GLU A 60 -16.652 -4.412 -13.560 1.00 31.13 H new ATOM 926 N ASP A 61 -17.309 -2.885 -8.963 1.00 44.24 N ATOM 927 CA ASP A 61 -17.511 -2.110 -7.744 1.00 71.44 C ATOM 928 C ASP A 61 -16.189 -1.889 -7.015 1.00 75.42 C ATOM 929 O ASP A 61 -16.054 -0.955 -6.226 1.00 54.01 O ATOM 930 CB ASP A 61 -18.504 -2.820 -6.823 1.00 21.53 C ATOM 931 CG ASP A 61 -18.999 -1.924 -5.705 1.00 32.11 C ATOM 932 OD1 ASP A 61 -19.962 -1.164 -5.937 1.00 73.11 O ATOM 933 OD2 ASP A 61 -18.423 -1.982 -4.598 1.00 51.22 O ATOM 0 H ASP A 61 -17.776 -3.792 -8.969 1.00 44.24 H new ATOM 0 HA ASP A 61 -17.917 -1.138 -8.023 1.00 71.44 H new ATOM 0 HB2 ASP A 61 -19.354 -3.168 -7.410 1.00 21.53 H new ATOM 0 HB3 ASP A 61 -18.030 -3.703 -6.394 1.00 21.53 H new ATOM 938 N GLU A 62 -15.218 -2.757 -7.285 1.00 15.45 N ATOM 939 CA GLU A 62 -13.909 -2.656 -6.652 1.00 25.31 C ATOM 940 C GLU A 62 -12.841 -2.266 -7.670 1.00 60.31 C ATOM 941 O GLU A 62 -11.850 -1.618 -7.331 1.00 20.35 O ATOM 942 CB GLU A 62 -13.535 -3.983 -5.988 1.00 72.41 C ATOM 943 CG GLU A 62 -13.923 -5.204 -6.806 1.00 52.42 C ATOM 944 CD GLU A 62 -13.820 -6.493 -6.015 1.00 74.22 C ATOM 945 OE1 GLU A 62 -13.176 -6.484 -4.946 1.00 20.12 O ATOM 946 OE2 GLU A 62 -14.385 -7.512 -6.466 1.00 52.33 O ATOM 0 H GLU A 62 -15.314 -3.536 -7.936 1.00 15.45 H new ATOM 0 HA GLU A 62 -13.962 -1.878 -5.890 1.00 25.31 H new ATOM 0 HB2 GLU A 62 -12.459 -4.001 -5.812 1.00 72.41 H new ATOM 0 HB3 GLU A 62 -14.019 -4.041 -5.013 1.00 72.41 H new ATOM 0 HG2 GLU A 62 -14.944 -5.085 -7.168 1.00 52.42 H new ATOM 0 HG3 GLU A 62 -13.280 -5.268 -7.683 1.00 52.42 H new ATOM 953 N LEU A 63 -13.050 -2.666 -8.920 1.00 0.33 N ATOM 954 CA LEU A 63 -12.106 -2.359 -9.989 1.00 31.11 C ATOM 955 C LEU A 63 -11.929 -0.852 -10.144 1.00 13.03 C ATOM 956 O LEU A 63 -10.871 -0.379 -10.558 1.00 24.12 O ATOM 957 CB LEU A 63 -12.585 -2.966 -11.309 1.00 34.03 C ATOM 958 CG LEU A 63 -11.514 -3.643 -12.165 1.00 10.44 C ATOM 959 CD1 LEU A 63 -12.108 -4.130 -13.477 1.00 53.41 C ATOM 960 CD2 LEU A 63 -10.357 -2.689 -12.423 1.00 4.25 C ATOM 0 H LEU A 63 -13.864 -3.203 -9.218 1.00 0.33 H new ATOM 0 HA LEU A 63 -11.142 -2.794 -9.724 1.00 31.11 H new ATOM 0 HB2 LEU A 63 -13.362 -3.698 -11.088 1.00 34.03 H new ATOM 0 HB3 LEU A 63 -13.050 -2.177 -11.901 1.00 34.03 H new ATOM 0 HG LEU A 63 -11.133 -4.507 -11.620 1.00 10.44 H new ATOM 0 HD11 LEU A 63 -11.331 -4.609 -14.073 1.00 53.41 H new ATOM 0 HD12 LEU A 63 -12.903 -4.848 -13.273 1.00 53.41 H new ATOM 0 HD13 LEU A 63 -12.517 -3.283 -14.028 1.00 53.41 H new ATOM 0 HD21 LEU A 63 -9.604 -3.187 -13.034 1.00 4.25 H new ATOM 0 HD22 LEU A 63 -10.723 -1.806 -12.947 1.00 4.25 H new ATOM 0 HD23 LEU A 63 -9.914 -2.389 -11.473 1.00 4.25 H new ATOM 972 N LYS A 64 -12.973 -0.101 -9.806 1.00 65.43 N ATOM 973 CA LYS A 64 -12.933 1.353 -9.904 1.00 21.23 C ATOM 974 C LYS A 64 -11.830 1.928 -9.020 1.00 73.52 C ATOM 975 O LYS A 64 -11.311 3.012 -9.286 1.00 22.14 O ATOM 976 CB LYS A 64 -14.284 1.948 -9.503 1.00 55.41 C ATOM 977 CG LYS A 64 -14.838 1.383 -8.206 1.00 43.52 C ATOM 978 CD LYS A 64 -15.728 2.389 -7.495 1.00 61.30 C ATOM 979 CE LYS A 64 -16.905 2.804 -8.364 1.00 72.52 C ATOM 980 NZ LYS A 64 -18.117 3.101 -7.551 1.00 41.35 N ATOM 0 H LYS A 64 -13.857 -0.476 -9.462 1.00 65.43 H new ATOM 0 HA LYS A 64 -12.719 1.617 -10.940 1.00 21.23 H new ATOM 0 HB2 LYS A 64 -14.180 3.028 -9.404 1.00 55.41 H new ATOM 0 HB3 LYS A 64 -15.002 1.769 -10.303 1.00 55.41 H new ATOM 0 HG2 LYS A 64 -15.407 0.477 -8.416 1.00 43.52 H new ATOM 0 HG3 LYS A 64 -14.015 1.098 -7.551 1.00 43.52 H new ATOM 0 HD2 LYS A 64 -16.096 1.957 -6.564 1.00 61.30 H new ATOM 0 HD3 LYS A 64 -15.143 3.269 -7.228 1.00 61.30 H new ATOM 0 HE2 LYS A 64 -16.634 3.684 -8.947 1.00 72.52 H new ATOM 0 HE3 LYS A 64 -17.130 2.009 -9.074 1.00 72.52 H new ATOM 0 HZ1 LYS A 64 -18.897 3.380 -8.180 1.00 41.35 H new ATOM 0 HZ2 LYS A 64 -18.391 2.253 -7.014 1.00 41.35 H new ATOM 0 HZ3 LYS A 64 -17.910 3.877 -6.890 1.00 41.35 H new ATOM 994 N TYR A 65 -11.477 1.194 -7.971 1.00 21.12 N ATOM 995 CA TYR A 65 -10.436 1.632 -7.048 1.00 33.51 C ATOM 996 C TYR A 65 -9.088 1.020 -7.417 1.00 52.34 C ATOM 997 O TYR A 65 -8.383 0.481 -6.564 1.00 40.13 O ATOM 998 CB TYR A 65 -10.805 1.251 -5.613 1.00 12.10 C ATOM 999 CG TYR A 65 -12.062 1.926 -5.112 1.00 32.42 C ATOM 1000 CD1 TYR A 65 -12.054 3.264 -4.737 1.00 61.25 C ATOM 1001 CD2 TYR A 65 -13.258 1.225 -5.012 1.00 23.14 C ATOM 1002 CE1 TYR A 65 -13.200 3.884 -4.278 1.00 43.23 C ATOM 1003 CE2 TYR A 65 -14.409 1.837 -4.555 1.00 45.50 C ATOM 1004 CZ TYR A 65 -14.374 3.167 -4.189 1.00 55.04 C ATOM 1005 OH TYR A 65 -15.518 3.780 -3.733 1.00 15.53 O ATOM 0 H TYR A 65 -11.896 0.294 -7.738 1.00 21.12 H new ATOM 0 HA TYR A 65 -10.355 2.717 -7.120 1.00 33.51 H new ATOM 0 HB2 TYR A 65 -10.935 0.170 -5.555 1.00 12.10 H new ATOM 0 HB3 TYR A 65 -9.977 1.508 -4.953 1.00 12.10 H new ATOM 0 HD1 TYR A 65 -11.136 3.829 -4.806 1.00 61.25 H new ATOM 0 HD2 TYR A 65 -13.288 0.184 -5.297 1.00 23.14 H new ATOM 0 HE1 TYR A 65 -13.176 4.925 -3.990 1.00 43.23 H new ATOM 0 HE2 TYR A 65 -15.330 1.278 -4.485 1.00 45.50 H new ATOM 0 HH TYR A 65 -16.256 3.136 -3.733 1.00 15.53 H new ATOM 1015 N PHE A 66 -8.736 1.109 -8.696 1.00 11.43 N ATOM 1016 CA PHE A 66 -7.473 0.566 -9.180 1.00 62.54 C ATOM 1017 C PHE A 66 -6.331 1.550 -8.944 1.00 62.44 C ATOM 1018 O PHE A 66 -5.166 1.158 -8.856 1.00 74.43 O ATOM 1019 CB PHE A 66 -7.575 0.233 -10.670 1.00 63.24 C ATOM 1020 CG PHE A 66 -6.245 -0.025 -11.319 1.00 61.13 C ATOM 1021 CD1 PHE A 66 -5.538 -1.184 -11.044 1.00 22.33 C ATOM 1022 CD2 PHE A 66 -5.702 0.892 -12.204 1.00 44.15 C ATOM 1023 CE1 PHE A 66 -4.314 -1.425 -11.639 1.00 41.14 C ATOM 1024 CE2 PHE A 66 -4.479 0.657 -12.803 1.00 64.35 C ATOM 1025 CZ PHE A 66 -3.783 -0.503 -12.520 1.00 13.53 C ATOM 0 H PHE A 66 -9.308 1.552 -9.415 1.00 11.43 H new ATOM 0 HA PHE A 66 -7.262 -0.347 -8.624 1.00 62.54 H new ATOM 0 HB2 PHE A 66 -8.208 -0.646 -10.795 1.00 63.24 H new ATOM 0 HB3 PHE A 66 -8.068 1.057 -11.185 1.00 63.24 H new ATOM 0 HD1 PHE A 66 -5.948 -1.908 -10.356 1.00 22.33 H new ATOM 0 HD2 PHE A 66 -6.241 1.801 -12.428 1.00 44.15 H new ATOM 0 HE1 PHE A 66 -3.773 -2.333 -11.415 1.00 41.14 H new ATOM 0 HE2 PHE A 66 -4.067 1.380 -13.492 1.00 64.35 H new ATOM 0 HZ PHE A 66 -2.827 -0.688 -12.986 1.00 13.53 H new ATOM 1035 N LEU A 67 -6.672 2.829 -8.844 1.00 12.44 N ATOM 1036 CA LEU A 67 -5.676 3.871 -8.618 1.00 53.44 C ATOM 1037 C LEU A 67 -5.433 4.078 -7.127 1.00 4.41 C ATOM 1038 O LEU A 67 -4.577 4.870 -6.733 1.00 23.12 O ATOM 1039 CB LEU A 67 -6.129 5.184 -9.260 1.00 11.23 C ATOM 1040 CG LEU A 67 -6.808 5.065 -10.625 1.00 12.34 C ATOM 1041 CD1 LEU A 67 -6.891 6.425 -11.300 1.00 1.40 C ATOM 1042 CD2 LEU A 67 -6.063 4.074 -11.507 1.00 0.24 C ATOM 0 H LEU A 67 -7.631 3.170 -8.916 1.00 12.44 H new ATOM 0 HA LEU A 67 -4.741 3.552 -9.078 1.00 53.44 H new ATOM 0 HB2 LEU A 67 -6.817 5.681 -8.576 1.00 11.23 H new ATOM 0 HB3 LEU A 67 -5.260 5.833 -9.364 1.00 11.23 H new ATOM 0 HG LEU A 67 -7.822 4.695 -10.474 1.00 12.34 H new ATOM 0 HD11 LEU A 67 -7.377 6.321 -12.270 1.00 1.40 H new ATOM 0 HD12 LEU A 67 -7.469 7.106 -10.676 1.00 1.40 H new ATOM 0 HD13 LEU A 67 -5.886 6.824 -11.439 1.00 1.40 H new ATOM 0 HD21 LEU A 67 -6.560 4.002 -12.474 1.00 0.24 H new ATOM 0 HD22 LEU A 67 -5.037 4.414 -11.651 1.00 0.24 H new ATOM 0 HD23 LEU A 67 -6.057 3.095 -11.029 1.00 0.24 H new ATOM 1054 N GLN A 68 -6.189 3.360 -6.304 1.00 13.04 N ATOM 1055 CA GLN A 68 -6.054 3.464 -4.856 1.00 3.44 C ATOM 1056 C GLN A 68 -5.119 2.386 -4.317 1.00 41.32 C ATOM 1057 O GLN A 68 -4.881 2.303 -3.112 1.00 61.43 O ATOM 1058 CB GLN A 68 -7.424 3.350 -4.184 1.00 65.04 C ATOM 1059 CG GLN A 68 -7.950 4.671 -3.646 1.00 65.31 C ATOM 1060 CD GLN A 68 -9.072 5.240 -4.491 1.00 62.05 C ATOM 1061 OE1 GLN A 68 -8.888 5.227 -5.807 1.00 31.15 O flip ATOM 1062 NE2 GLN A 68 -10.093 5.687 -3.969 1.00 21.15 N flip ATOM 0 H GLN A 68 -6.902 2.700 -6.615 1.00 13.04 H new ATOM 0 HA GLN A 68 -5.625 4.439 -4.626 1.00 3.44 H new ATOM 0 HB2 GLN A 68 -8.139 2.949 -4.902 1.00 65.04 H new ATOM 0 HB3 GLN A 68 -7.359 2.634 -3.365 1.00 65.04 H new ATOM 0 HG2 GLN A 68 -8.306 4.528 -2.626 1.00 65.31 H new ATOM 0 HG3 GLN A 68 -7.133 5.391 -3.601 1.00 65.31 H new ATOM 0 HE21 GLN A 68 -10.193 5.677 -2.954 1.00 21.15 H new ATOM 0 HE22 GLN A 68 -10.839 6.067 -4.551 1.00 21.15 H new ATOM 1071 N ARG A 69 -4.592 1.563 -5.218 1.00 12.21 N ATOM 1072 CA ARG A 69 -3.685 0.489 -4.833 1.00 4.21 C ATOM 1073 C ARG A 69 -2.235 0.879 -5.104 1.00 5.41 C ATOM 1074 O ARG A 69 -1.322 0.447 -4.400 1.00 31.44 O ATOM 1075 CB ARG A 69 -4.029 -0.794 -5.591 1.00 24.41 C ATOM 1076 CG ARG A 69 -5.473 -0.857 -6.059 1.00 14.15 C ATOM 1077 CD ARG A 69 -6.441 -0.792 -4.887 1.00 73.04 C ATOM 1078 NE ARG A 69 -6.019 -1.646 -3.780 1.00 42.43 N ATOM 1079 CZ ARG A 69 -6.448 -1.496 -2.532 1.00 5.01 C ATOM 1080 NH1 ARG A 69 -7.307 -0.531 -2.234 1.00 24.23 N ATOM 1081 NH2 ARG A 69 -6.017 -2.313 -1.579 1.00 11.11 N ATOM 0 H ARG A 69 -4.778 1.620 -6.219 1.00 12.21 H new ATOM 0 HA ARG A 69 -3.803 0.314 -3.764 1.00 4.21 H new ATOM 0 HB2 ARG A 69 -3.372 -0.882 -6.456 1.00 24.41 H new ATOM 0 HB3 ARG A 69 -3.827 -1.651 -4.948 1.00 24.41 H new ATOM 0 HG2 ARG A 69 -5.672 -0.032 -6.743 1.00 14.15 H new ATOM 0 HG3 ARG A 69 -5.636 -1.779 -6.617 1.00 14.15 H new ATOM 0 HD2 ARG A 69 -6.521 0.238 -4.540 1.00 73.04 H new ATOM 0 HD3 ARG A 69 -7.434 -1.094 -5.220 1.00 73.04 H new ATOM 0 HE ARG A 69 -5.359 -2.399 -3.976 1.00 42.43 H new ATOM 0 HH11 ARG A 69 -7.640 0.099 -2.964 1.00 24.23 H new ATOM 0 HH12 ARG A 69 -7.635 -0.418 -1.275 1.00 24.23 H new ATOM 0 HH21 ARG A 69 -5.356 -3.056 -1.805 1.00 11.11 H new ATOM 0 HH22 ARG A 69 -6.347 -2.198 -0.621 1.00 11.11 H new ATOM 1095 N PHE A 70 -2.030 1.699 -6.129 1.00 44.53 N ATOM 1096 CA PHE A 70 -0.691 2.147 -6.495 1.00 3.14 C ATOM 1097 C PHE A 70 -0.415 3.544 -5.945 1.00 73.30 C ATOM 1098 O PHE A 70 0.735 3.916 -5.719 1.00 3.54 O ATOM 1099 CB PHE A 70 -0.526 2.144 -8.016 1.00 31.32 C ATOM 1100 CG PHE A 70 -0.443 0.765 -8.607 1.00 4.44 C ATOM 1101 CD1 PHE A 70 -1.593 0.045 -8.883 1.00 32.44 C ATOM 1102 CD2 PHE A 70 0.787 0.190 -8.886 1.00 12.25 C ATOM 1103 CE1 PHE A 70 -1.520 -1.224 -9.427 1.00 0.13 C ATOM 1104 CE2 PHE A 70 0.866 -1.078 -9.430 1.00 3.40 C ATOM 1105 CZ PHE A 70 -0.288 -1.786 -9.700 1.00 34.03 C ATOM 0 H PHE A 70 -2.774 2.067 -6.721 1.00 44.53 H new ATOM 0 HA PHE A 70 0.028 1.455 -6.057 1.00 3.14 H new ATOM 0 HB2 PHE A 70 -1.366 2.673 -8.466 1.00 31.32 H new ATOM 0 HB3 PHE A 70 0.376 2.697 -8.277 1.00 31.32 H new ATOM 0 HD1 PHE A 70 -2.559 0.480 -8.671 1.00 32.44 H new ATOM 0 HD2 PHE A 70 1.693 0.739 -8.676 1.00 12.25 H new ATOM 0 HE1 PHE A 70 -2.425 -1.775 -9.638 1.00 0.13 H new ATOM 0 HE2 PHE A 70 1.830 -1.515 -9.644 1.00 3.40 H new ATOM 0 HZ PHE A 70 -0.228 -2.777 -10.124 1.00 34.03 H new ATOM 1115 N GLU A 71 -1.480 4.311 -5.734 1.00 33.32 N ATOM 1116 CA GLU A 71 -1.353 5.667 -5.212 1.00 71.54 C ATOM 1117 C GLU A 71 -1.821 5.738 -3.762 1.00 30.44 C ATOM 1118 O GLU A 71 -1.273 6.491 -2.958 1.00 2.44 O ATOM 1119 CB GLU A 71 -2.161 6.644 -6.069 1.00 2.02 C ATOM 1120 CG GLU A 71 -1.862 8.104 -5.772 1.00 63.11 C ATOM 1121 CD GLU A 71 -0.375 8.402 -5.749 1.00 71.24 C ATOM 1122 OE1 GLU A 71 0.275 8.096 -4.728 1.00 10.44 O ATOM 1123 OE2 GLU A 71 0.138 8.940 -6.752 1.00 41.23 O ATOM 0 H GLU A 71 -2.440 4.017 -5.916 1.00 33.32 H new ATOM 0 HA GLU A 71 -0.300 5.946 -5.249 1.00 71.54 H new ATOM 0 HB2 GLU A 71 -1.956 6.447 -7.121 1.00 2.02 H new ATOM 0 HB3 GLU A 71 -3.224 6.460 -5.911 1.00 2.02 H new ATOM 0 HG2 GLU A 71 -2.343 8.730 -6.524 1.00 63.11 H new ATOM 0 HG3 GLU A 71 -2.297 8.372 -4.809 1.00 63.11 H new ATOM 1130 N SER A 72 -2.839 4.947 -3.435 1.00 3.51 N ATOM 1131 CA SER A 72 -3.384 4.923 -2.083 1.00 12.33 C ATOM 1132 C SER A 72 -3.956 6.286 -1.703 1.00 74.34 C ATOM 1133 O SER A 72 -3.504 6.918 -0.750 1.00 44.33 O ATOM 1134 CB SER A 72 -2.302 4.515 -1.081 1.00 34.11 C ATOM 1135 OG SER A 72 -2.871 4.167 0.170 1.00 62.23 O ATOM 0 H SER A 72 -3.302 4.315 -4.088 1.00 3.51 H new ATOM 0 HA SER A 72 -4.190 4.189 -2.056 1.00 12.33 H new ATOM 0 HB2 SER A 72 -1.737 3.670 -1.475 1.00 34.11 H new ATOM 0 HB3 SER A 72 -1.597 5.336 -0.948 1.00 34.11 H new ATOM 0 HG SER A 72 -2.160 3.909 0.792 1.00 62.23 H new ATOM 1141 N GLY A 73 -4.956 6.732 -2.458 1.00 33.21 N ATOM 1142 CA GLY A 73 -5.575 8.016 -2.186 1.00 41.13 C ATOM 1143 C GLY A 73 -6.112 8.678 -3.440 1.00 21.31 C ATOM 1144 O GLY A 73 -6.924 9.599 -3.364 1.00 42.42 O ATOM 0 H GLY A 73 -5.348 6.227 -3.253 1.00 33.21 H new ATOM 0 HA2 GLY A 73 -6.389 7.880 -1.474 1.00 41.13 H new ATOM 0 HA3 GLY A 73 -4.846 8.675 -1.715 1.00 41.13 H new ATOM 1148 N ALA A 74 -5.656 8.208 -4.597 1.00 35.24 N ATOM 1149 CA ALA A 74 -6.097 8.760 -5.872 1.00 24.32 C ATOM 1150 C ALA A 74 -7.593 8.549 -6.074 1.00 33.00 C ATOM 1151 O ALA A 74 -8.281 8.030 -5.194 1.00 51.53 O ATOM 1152 CB ALA A 74 -5.314 8.133 -7.016 1.00 51.24 C ATOM 0 H ALA A 74 -4.982 7.447 -4.677 1.00 35.24 H new ATOM 0 HA ALA A 74 -5.907 9.833 -5.861 1.00 24.32 H new ATOM 0 HB1 ALA A 74 -5.653 8.554 -7.963 1.00 51.24 H new ATOM 0 HB2 ALA A 74 -4.252 8.340 -6.886 1.00 51.24 H new ATOM 0 HB3 ALA A 74 -5.476 7.055 -7.020 1.00 51.24 H new ATOM 1158 N ARG A 75 -8.092 8.955 -7.237 1.00 65.33 N ATOM 1159 CA ARG A 75 -9.508 8.812 -7.554 1.00 25.24 C ATOM 1160 C ARG A 75 -9.806 7.415 -8.091 1.00 13.22 C ATOM 1161 O ARG A 75 -8.913 6.574 -8.194 1.00 34.01 O ATOM 1162 CB ARG A 75 -9.932 9.866 -8.578 1.00 70.41 C ATOM 1163 CG ARG A 75 -9.136 9.813 -9.872 1.00 20.32 C ATOM 1164 CD ARG A 75 -9.611 10.865 -10.861 1.00 43.24 C ATOM 1165 NE ARG A 75 -11.052 10.793 -11.088 1.00 3.12 N ATOM 1166 CZ ARG A 75 -11.940 11.504 -10.402 1.00 22.44 C ATOM 1167 NH1 ARG A 75 -11.537 12.335 -9.451 1.00 45.41 N ATOM 1168 NH2 ARG A 75 -13.235 11.383 -10.666 1.00 45.31 N ATOM 0 H ARG A 75 -7.536 9.386 -7.976 1.00 65.33 H new ATOM 0 HA ARG A 75 -10.077 8.958 -6.636 1.00 25.24 H new ATOM 0 HB2 ARG A 75 -10.990 9.734 -8.806 1.00 70.41 H new ATOM 0 HB3 ARG A 75 -9.823 10.856 -8.135 1.00 70.41 H new ATOM 0 HG2 ARG A 75 -8.078 9.966 -9.657 1.00 20.32 H new ATOM 0 HG3 ARG A 75 -9.231 8.823 -10.318 1.00 20.32 H new ATOM 0 HD2 ARG A 75 -9.352 11.856 -10.488 1.00 43.24 H new ATOM 0 HD3 ARG A 75 -9.088 10.734 -11.808 1.00 43.24 H new ATOM 0 HE ARG A 75 -11.395 10.163 -11.813 1.00 3.12 H new ATOM 0 HH11 ARG A 75 -10.543 12.430 -9.244 1.00 45.41 H new ATOM 0 HH12 ARG A 75 -12.221 12.880 -8.926 1.00 45.41 H new ATOM 0 HH21 ARG A 75 -13.549 10.744 -11.396 1.00 45.31 H new ATOM 0 HH22 ARG A 75 -13.916 11.929 -10.139 1.00 45.31 H new ATOM 1182 N VAL A 76 -11.069 7.175 -8.431 1.00 44.35 N ATOM 1183 CA VAL A 76 -11.486 5.881 -8.959 1.00 5.44 C ATOM 1184 C VAL A 76 -11.521 5.894 -10.483 1.00 4.33 C ATOM 1185 O VAL A 76 -11.002 6.813 -11.119 1.00 25.51 O ATOM 1186 CB VAL A 76 -12.875 5.480 -8.427 1.00 45.25 C ATOM 1187 CG1 VAL A 76 -12.943 5.664 -6.919 1.00 53.42 C ATOM 1188 CG2 VAL A 76 -13.963 6.285 -9.121 1.00 42.34 C ATOM 0 H VAL A 76 -11.821 7.860 -8.350 1.00 44.35 H new ATOM 0 HA VAL A 76 -10.751 5.150 -8.623 1.00 5.44 H new ATOM 0 HB VAL A 76 -13.039 4.425 -8.647 1.00 45.25 H new ATOM 0 HG11 VAL A 76 -13.932 5.376 -6.561 1.00 53.42 H new ATOM 0 HG12 VAL A 76 -12.188 5.039 -6.442 1.00 53.42 H new ATOM 0 HG13 VAL A 76 -12.758 6.709 -6.671 1.00 53.42 H new ATOM 0 HG21 VAL A 76 -14.938 5.989 -8.733 1.00 42.34 H new ATOM 0 HG22 VAL A 76 -13.805 7.347 -8.934 1.00 42.34 H new ATOM 0 HG23 VAL A 76 -13.927 6.096 -10.194 1.00 42.34 H new ATOM 1198 N LEU A 77 -12.136 4.870 -11.063 1.00 50.33 N ATOM 1199 CA LEU A 77 -12.240 4.763 -12.514 1.00 50.15 C ATOM 1200 C LEU A 77 -13.648 5.113 -12.987 1.00 24.12 C ATOM 1201 O LEU A 77 -14.610 5.027 -12.223 1.00 52.35 O ATOM 1202 CB LEU A 77 -11.874 3.349 -12.969 1.00 0.12 C ATOM 1203 CG LEU A 77 -10.528 2.814 -12.478 1.00 73.21 C ATOM 1204 CD1 LEU A 77 -10.308 1.391 -12.969 1.00 54.45 C ATOM 1205 CD2 LEU A 77 -9.395 3.720 -12.937 1.00 22.43 C ATOM 0 H LEU A 77 -12.570 4.102 -10.551 1.00 50.33 H new ATOM 0 HA LEU A 77 -11.541 5.473 -12.956 1.00 50.15 H new ATOM 0 HB2 LEU A 77 -12.657 2.668 -12.636 1.00 0.12 H new ATOM 0 HB3 LEU A 77 -11.875 3.328 -14.059 1.00 0.12 H new ATOM 0 HG LEU A 77 -10.539 2.803 -11.388 1.00 73.21 H new ATOM 0 HD11 LEU A 77 -9.345 1.027 -12.610 1.00 54.45 H new ATOM 0 HD12 LEU A 77 -11.103 0.749 -12.591 1.00 54.45 H new ATOM 0 HD13 LEU A 77 -10.318 1.377 -14.059 1.00 54.45 H new ATOM 0 HD21 LEU A 77 -8.445 3.324 -12.579 1.00 22.43 H new ATOM 0 HD22 LEU A 77 -9.382 3.764 -14.026 1.00 22.43 H new ATOM 0 HD23 LEU A 77 -9.545 4.722 -12.535 1.00 22.43 H new ATOM 1217 N THR A 78 -13.761 5.506 -14.252 1.00 33.21 N ATOM 1218 CA THR A 78 -15.051 5.867 -14.827 1.00 3.31 C ATOM 1219 C THR A 78 -15.568 4.771 -15.751 1.00 24.31 C ATOM 1220 O THR A 78 -14.920 3.739 -15.929 1.00 11.44 O ATOM 1221 CB THR A 78 -14.964 7.188 -15.615 1.00 0.13 C ATOM 1222 OG1 THR A 78 -16.270 7.588 -16.046 1.00 64.00 O ATOM 1223 CG2 THR A 78 -14.049 7.040 -16.821 1.00 73.51 C ATOM 0 H THR A 78 -12.975 5.582 -14.898 1.00 33.21 H new ATOM 0 HA THR A 78 -15.744 5.993 -13.995 1.00 3.31 H new ATOM 0 HB THR A 78 -14.549 7.952 -14.957 1.00 0.13 H new ATOM 0 HG1 THR A 78 -16.207 8.429 -16.545 1.00 64.00 H new ATOM 0 HG21 THR A 78 -14.004 7.985 -17.361 1.00 73.51 H new ATOM 0 HG22 THR A 78 -13.049 6.764 -16.487 1.00 73.51 H new ATOM 0 HG23 THR A 78 -14.438 6.264 -17.480 1.00 73.51 H new ATOM 1231 N ALA A 79 -16.738 5.001 -16.338 1.00 23.52 N ATOM 1232 CA ALA A 79 -17.340 4.033 -17.246 1.00 61.41 C ATOM 1233 C ALA A 79 -16.474 3.829 -18.485 1.00 3.24 C ATOM 1234 O ALA A 79 -16.679 2.887 -19.250 1.00 13.04 O ATOM 1235 CB ALA A 79 -18.738 4.482 -17.645 1.00 44.14 C ATOM 0 H ALA A 79 -17.288 5.849 -16.201 1.00 23.52 H new ATOM 0 HA ALA A 79 -17.412 3.079 -16.724 1.00 61.41 H new ATOM 0 HB1 ALA A 79 -19.176 3.750 -18.323 1.00 44.14 H new ATOM 0 HB2 ALA A 79 -19.360 4.569 -16.754 1.00 44.14 H new ATOM 0 HB3 ALA A 79 -18.681 5.450 -18.144 1.00 44.14 H new ATOM 1241 N SER A 80 -15.505 4.719 -18.676 1.00 70.02 N ATOM 1242 CA SER A 80 -14.610 4.639 -19.825 1.00 12.31 C ATOM 1243 C SER A 80 -13.263 4.045 -19.424 1.00 54.11 C ATOM 1244 O SER A 80 -12.384 3.853 -20.263 1.00 2.50 O ATOM 1245 CB SER A 80 -14.407 6.027 -20.437 1.00 24.33 C ATOM 1246 OG SER A 80 -13.562 5.964 -21.573 1.00 11.01 O ATOM 0 H SER A 80 -15.320 5.503 -18.051 1.00 70.02 H new ATOM 0 HA SER A 80 -15.069 3.986 -20.567 1.00 12.31 H new ATOM 0 HB2 SER A 80 -15.372 6.448 -20.720 1.00 24.33 H new ATOM 0 HB3 SER A 80 -13.973 6.696 -19.694 1.00 24.33 H new ATOM 0 HG SER A 80 -12.971 5.186 -21.498 1.00 11.01 H new ATOM 1252 N GLU A 81 -13.111 3.756 -18.135 1.00 40.24 N ATOM 1253 CA GLU A 81 -11.871 3.185 -17.623 1.00 33.32 C ATOM 1254 C GLU A 81 -12.095 1.761 -17.121 1.00 12.24 C ATOM 1255 O GLU A 81 -11.530 0.806 -17.654 1.00 31.32 O ATOM 1256 CB GLU A 81 -11.312 4.053 -16.494 1.00 44.33 C ATOM 1257 CG GLU A 81 -10.814 5.411 -16.961 1.00 13.12 C ATOM 1258 CD GLU A 81 -9.810 6.025 -16.004 1.00 72.34 C ATOM 1259 OE1 GLU A 81 -9.986 5.869 -14.778 1.00 61.41 O ATOM 1260 OE2 GLU A 81 -8.848 6.661 -16.483 1.00 51.13 O ATOM 0 H GLU A 81 -13.830 3.908 -17.428 1.00 40.24 H new ATOM 0 HA GLU A 81 -11.150 3.155 -18.440 1.00 33.32 H new ATOM 0 HB2 GLU A 81 -12.087 4.199 -15.741 1.00 44.33 H new ATOM 0 HB3 GLU A 81 -10.493 3.522 -16.010 1.00 44.33 H new ATOM 0 HG2 GLU A 81 -10.356 5.307 -17.945 1.00 13.12 H new ATOM 0 HG3 GLU A 81 -11.662 6.086 -17.074 1.00 13.12 H new ATOM 1267 N THR A 82 -12.924 1.627 -16.090 1.00 0.13 N ATOM 1268 CA THR A 82 -13.222 0.322 -15.513 1.00 50.14 C ATOM 1269 C THR A 82 -13.657 -0.667 -16.588 1.00 73.24 C ATOM 1270 O THR A 82 -13.164 -1.794 -16.647 1.00 43.41 O ATOM 1271 CB THR A 82 -14.326 0.419 -14.444 1.00 12.23 C ATOM 1272 OG1 THR A 82 -14.809 1.765 -14.359 1.00 22.33 O ATOM 1273 CG2 THR A 82 -13.804 -0.025 -13.085 1.00 53.55 C ATOM 0 H THR A 82 -13.401 2.407 -15.638 1.00 0.13 H new ATOM 0 HA THR A 82 -12.304 -0.034 -15.045 1.00 50.14 H new ATOM 0 HB THR A 82 -15.142 -0.242 -14.735 1.00 12.23 H new ATOM 0 HG1 THR A 82 -15.034 2.089 -15.256 1.00 22.33 H new ATOM 0 HG21 THR A 82 -14.601 0.052 -12.346 1.00 53.55 H new ATOM 0 HG22 THR A 82 -13.464 -1.059 -13.146 1.00 53.55 H new ATOM 0 HG23 THR A 82 -12.972 0.613 -12.789 1.00 53.55 H new ATOM 1281 N LYS A 83 -14.585 -0.240 -17.439 1.00 4.34 N ATOM 1282 CA LYS A 83 -15.086 -1.087 -18.514 1.00 41.12 C ATOM 1283 C LYS A 83 -13.945 -1.565 -19.407 1.00 53.53 C ATOM 1284 O LYS A 83 -13.864 -2.744 -19.752 1.00 74.01 O ATOM 1285 CB LYS A 83 -16.119 -0.328 -19.350 1.00 43.41 C ATOM 1286 CG LYS A 83 -17.535 -0.435 -18.811 1.00 42.54 C ATOM 1287 CD LYS A 83 -18.548 0.139 -19.788 1.00 2.01 C ATOM 1288 CE LYS A 83 -18.775 -0.794 -20.967 1.00 72.13 C ATOM 1289 NZ LYS A 83 -19.643 -1.948 -20.603 1.00 15.44 N ATOM 0 H LYS A 83 -15.005 0.689 -17.404 1.00 4.34 H new ATOM 0 HA LYS A 83 -15.561 -1.959 -18.064 1.00 41.12 H new ATOM 0 HB2 LYS A 83 -15.835 0.723 -19.396 1.00 43.41 H new ATOM 0 HB3 LYS A 83 -16.098 -0.709 -20.371 1.00 43.41 H new ATOM 0 HG2 LYS A 83 -17.772 -1.480 -18.612 1.00 42.54 H new ATOM 0 HG3 LYS A 83 -17.605 0.094 -17.861 1.00 42.54 H new ATOM 0 HD2 LYS A 83 -19.493 0.314 -19.273 1.00 2.01 H new ATOM 0 HD3 LYS A 83 -18.199 1.106 -20.150 1.00 2.01 H new ATOM 0 HE2 LYS A 83 -19.233 -0.239 -21.786 1.00 72.13 H new ATOM 0 HE3 LYS A 83 -17.815 -1.162 -21.329 1.00 72.13 H new ATOM 0 HZ1 LYS A 83 -19.843 -2.514 -21.453 1.00 15.44 H new ATOM 0 HZ2 LYS A 83 -19.157 -2.540 -19.899 1.00 15.44 H new ATOM 0 HZ3 LYS A 83 -20.537 -1.598 -20.202 1.00 15.44 H new ATOM 1303 N THR A 84 -13.064 -0.641 -19.778 1.00 63.23 N ATOM 1304 CA THR A 84 -11.928 -0.968 -20.631 1.00 24.03 C ATOM 1305 C THR A 84 -11.031 -2.012 -19.975 1.00 44.30 C ATOM 1306 O THR A 84 -10.768 -3.069 -20.550 1.00 14.44 O ATOM 1307 CB THR A 84 -11.089 0.283 -20.953 1.00 50.23 C ATOM 1308 OG1 THR A 84 -11.927 1.306 -21.503 1.00 62.15 O ATOM 1309 CG2 THR A 84 -9.976 -0.050 -21.935 1.00 4.01 C ATOM 0 H THR A 84 -13.115 0.339 -19.501 1.00 63.23 H new ATOM 0 HA THR A 84 -12.335 -1.372 -21.558 1.00 24.03 H new ATOM 0 HB THR A 84 -10.640 0.641 -20.027 1.00 50.23 H new ATOM 0 HG1 THR A 84 -11.944 2.076 -20.897 1.00 62.15 H new ATOM 0 HG21 THR A 84 -9.397 0.849 -22.147 1.00 4.01 H new ATOM 0 HG22 THR A 84 -9.323 -0.808 -21.502 1.00 4.01 H new ATOM 0 HG23 THR A 84 -10.409 -0.430 -22.860 1.00 4.01 H new ATOM 1317 N PHE A 85 -10.563 -1.709 -18.769 1.00 21.35 N ATOM 1318 CA PHE A 85 -9.694 -2.622 -18.034 1.00 74.13 C ATOM 1319 C PHE A 85 -10.306 -4.018 -17.966 1.00 34.21 C ATOM 1320 O PHE A 85 -9.640 -5.015 -18.247 1.00 71.24 O ATOM 1321 CB PHE A 85 -9.442 -2.094 -16.621 1.00 12.33 C ATOM 1322 CG PHE A 85 -8.234 -2.696 -15.962 1.00 74.51 C ATOM 1323 CD1 PHE A 85 -8.275 -3.987 -15.460 1.00 24.23 C ATOM 1324 CD2 PHE A 85 -7.059 -1.973 -15.846 1.00 4.33 C ATOM 1325 CE1 PHE A 85 -7.165 -4.544 -14.853 1.00 1.25 C ATOM 1326 CE2 PHE A 85 -5.945 -2.524 -15.240 1.00 34.32 C ATOM 1327 CZ PHE A 85 -5.999 -3.812 -14.744 1.00 25.05 C ATOM 0 H PHE A 85 -10.771 -0.839 -18.279 1.00 21.35 H new ATOM 0 HA PHE A 85 -8.744 -2.686 -18.565 1.00 74.13 H new ATOM 0 HB2 PHE A 85 -9.322 -1.011 -16.663 1.00 12.33 H new ATOM 0 HB3 PHE A 85 -10.319 -2.294 -16.005 1.00 12.33 H new ATOM 0 HD1 PHE A 85 -9.184 -4.564 -15.544 1.00 24.23 H new ATOM 0 HD2 PHE A 85 -7.012 -0.966 -16.234 1.00 4.33 H new ATOM 0 HE1 PHE A 85 -7.210 -5.551 -14.464 1.00 1.25 H new ATOM 0 HE2 PHE A 85 -5.035 -1.949 -15.155 1.00 34.32 H new ATOM 0 HZ PHE A 85 -5.130 -4.246 -14.271 1.00 25.05 H new ATOM 1337 N LEU A 86 -11.579 -4.082 -17.589 1.00 43.14 N ATOM 1338 CA LEU A 86 -12.282 -5.355 -17.483 1.00 33.41 C ATOM 1339 C LEU A 86 -12.446 -6.003 -18.854 1.00 31.40 C ATOM 1340 O LEU A 86 -12.369 -7.224 -18.988 1.00 34.35 O ATOM 1341 CB LEU A 86 -13.653 -5.151 -16.836 1.00 12.41 C ATOM 1342 CG LEU A 86 -14.626 -6.326 -16.939 1.00 13.40 C ATOM 1343 CD1 LEU A 86 -14.543 -7.198 -15.696 1.00 62.34 C ATOM 1344 CD2 LEU A 86 -16.048 -5.824 -17.146 1.00 50.02 C ATOM 0 H LEU A 86 -12.145 -3.267 -17.352 1.00 43.14 H new ATOM 0 HA LEU A 86 -11.686 -6.019 -16.857 1.00 33.41 H new ATOM 0 HB2 LEU A 86 -13.504 -4.920 -15.781 1.00 12.41 H new ATOM 0 HB3 LEU A 86 -14.120 -4.277 -17.290 1.00 12.41 H new ATOM 0 HG LEU A 86 -14.346 -6.931 -17.802 1.00 13.40 H new ATOM 0 HD11 LEU A 86 -15.242 -8.029 -15.787 1.00 62.34 H new ATOM 0 HD12 LEU A 86 -13.530 -7.586 -15.591 1.00 62.34 H new ATOM 0 HD13 LEU A 86 -14.797 -6.605 -14.818 1.00 62.34 H new ATOM 0 HD21 LEU A 86 -16.727 -6.674 -17.217 1.00 50.02 H new ATOM 0 HD22 LEU A 86 -16.339 -5.197 -16.303 1.00 50.02 H new ATOM 0 HD23 LEU A 86 -16.098 -5.242 -18.066 1.00 50.02 H new ATOM 1356 N ALA A 87 -12.670 -5.177 -19.870 1.00 40.04 N ATOM 1357 CA ALA A 87 -12.840 -5.669 -21.232 1.00 31.02 C ATOM 1358 C ALA A 87 -11.503 -6.086 -21.836 1.00 14.30 C ATOM 1359 O ALA A 87 -11.439 -6.517 -22.987 1.00 32.55 O ATOM 1360 CB ALA A 87 -13.505 -4.609 -22.097 1.00 41.31 C ATOM 0 H ALA A 87 -12.738 -4.164 -19.776 1.00 40.04 H new ATOM 0 HA ALA A 87 -13.483 -6.549 -21.197 1.00 31.02 H new ATOM 0 HB1 ALA A 87 -13.626 -4.990 -23.111 1.00 41.31 H new ATOM 0 HB2 ALA A 87 -14.483 -4.363 -21.683 1.00 41.31 H new ATOM 0 HB3 ALA A 87 -12.884 -3.714 -22.117 1.00 41.31 H new ATOM 1366 N ALA A 88 -10.438 -5.953 -21.053 1.00 11.34 N ATOM 1367 CA ALA A 88 -9.103 -6.317 -21.510 1.00 40.24 C ATOM 1368 C ALA A 88 -8.578 -7.536 -20.759 1.00 54.31 C ATOM 1369 O ALA A 88 -7.614 -8.171 -21.185 1.00 34.44 O ATOM 1370 CB ALA A 88 -8.150 -5.142 -21.345 1.00 61.35 C ATOM 0 H ALA A 88 -10.474 -5.596 -20.098 1.00 11.34 H new ATOM 0 HA ALA A 88 -9.166 -6.574 -22.567 1.00 40.24 H new ATOM 0 HB1 ALA A 88 -7.156 -5.428 -21.690 1.00 61.35 H new ATOM 0 HB2 ALA A 88 -8.509 -4.297 -21.933 1.00 61.35 H new ATOM 0 HB3 ALA A 88 -8.101 -4.858 -20.294 1.00 61.35 H new ATOM 1376 N ALA A 89 -9.219 -7.856 -19.639 1.00 42.43 N ATOM 1377 CA ALA A 89 -8.817 -8.999 -18.830 1.00 31.23 C ATOM 1378 C ALA A 89 -9.944 -10.022 -18.726 1.00 42.44 C ATOM 1379 O ALA A 89 -9.764 -11.192 -19.058 1.00 72.51 O ATOM 1380 CB ALA A 89 -8.390 -8.540 -17.443 1.00 64.24 C ATOM 0 H ALA A 89 -10.018 -7.339 -19.272 1.00 42.43 H new ATOM 0 HA ALA A 89 -7.970 -9.479 -19.320 1.00 31.23 H new ATOM 0 HB1 ALA A 89 -8.092 -9.404 -16.849 1.00 64.24 H new ATOM 0 HB2 ALA A 89 -7.549 -7.852 -17.530 1.00 64.24 H new ATOM 0 HB3 ALA A 89 -9.223 -8.034 -16.955 1.00 64.24 H new ATOM 1386 N ASP A 90 -11.105 -9.571 -18.264 1.00 12.44 N ATOM 1387 CA ASP A 90 -12.261 -10.447 -18.115 1.00 72.45 C ATOM 1388 C ASP A 90 -12.661 -11.052 -19.458 1.00 53.41 C ATOM 1389 O ASP A 90 -12.484 -12.248 -19.690 1.00 44.15 O ATOM 1390 CB ASP A 90 -13.440 -9.675 -17.519 1.00 70.35 C ATOM 1391 CG ASP A 90 -14.750 -10.423 -17.662 1.00 12.14 C ATOM 1392 OD1 ASP A 90 -14.943 -11.444 -16.835 1.00 60.43 O ATOM 1393 OD2 ASP A 90 -15.581 -10.086 -18.505 1.00 52.51 O ATOM 0 H ASP A 90 -11.270 -8.604 -17.986 1.00 12.44 H new ATOM 0 HA ASP A 90 -11.987 -11.257 -17.438 1.00 72.45 H new ATOM 0 HB2 ASP A 90 -13.248 -9.482 -16.464 1.00 70.35 H new ATOM 0 HB3 ASP A 90 -13.522 -8.706 -18.011 1.00 70.35 H new ATOM 1398 N HIS A 91 -13.202 -10.216 -20.339 1.00 61.14 N ATOM 1399 CA HIS A 91 -13.626 -10.667 -21.660 1.00 33.31 C ATOM 1400 C HIS A 91 -14.618 -11.821 -21.547 1.00 64.51 C ATOM 1401 O HIS A 91 -14.904 -12.505 -22.530 1.00 61.02 O ATOM 1402 CB HIS A 91 -12.416 -11.099 -22.488 1.00 44.41 C ATOM 1403 CG HIS A 91 -12.605 -10.922 -23.963 1.00 53.13 C ATOM 1404 ND1 HIS A 91 -11.654 -11.284 -24.893 1.00 43.22 N ATOM 1405 CD2 HIS A 91 -13.646 -10.420 -24.668 1.00 51.31 C ATOM 1406 CE1 HIS A 91 -12.100 -11.010 -26.106 1.00 70.20 C ATOM 1407 NE2 HIS A 91 -13.307 -10.485 -25.997 1.00 72.42 N ATOM 0 H HIS A 91 -13.357 -9.223 -20.162 1.00 61.14 H new ATOM 0 HA HIS A 91 -14.120 -9.834 -22.160 1.00 33.31 H new ATOM 0 HB2 HIS A 91 -11.545 -10.525 -22.170 1.00 44.41 H new ATOM 0 HB3 HIS A 91 -12.200 -12.147 -22.281 1.00 44.41 H new ATOM 0 HD2 HIS A 91 -14.571 -10.039 -24.261 1.00 51.31 H new ATOM 0 HE1 HIS A 91 -11.568 -11.185 -27.029 1.00 70.20 H new ATOM 0 HE2 HIS A 91 -13.892 -10.178 -26.774 1.00 72.42 H new ATOM 1415 N ASP A 92 -15.137 -12.033 -20.343 1.00 13.10 N ATOM 1416 CA ASP A 92 -16.097 -13.104 -20.102 1.00 22.23 C ATOM 1417 C ASP A 92 -17.510 -12.547 -19.959 1.00 44.54 C ATOM 1418 O ASP A 92 -18.492 -13.274 -20.096 1.00 61.35 O ATOM 1419 CB ASP A 92 -15.715 -13.886 -18.844 1.00 21.30 C ATOM 1420 CG ASP A 92 -14.224 -14.143 -18.753 1.00 25.24 C ATOM 1421 OD1 ASP A 92 -13.627 -14.541 -19.775 1.00 21.33 O ATOM 1422 OD2 ASP A 92 -13.653 -13.947 -17.659 1.00 32.22 O ATOM 0 H ASP A 92 -14.909 -11.477 -19.518 1.00 13.10 H new ATOM 0 HA ASP A 92 -16.076 -13.776 -20.960 1.00 22.23 H new ATOM 0 HB2 ASP A 92 -16.040 -13.332 -17.963 1.00 21.30 H new ATOM 0 HB3 ASP A 92 -16.246 -14.838 -18.836 1.00 21.30 H new ATOM 1427 N GLY A 93 -17.603 -11.249 -19.682 1.00 74.43 N ATOM 1428 CA GLY A 93 -18.900 -10.616 -19.525 1.00 22.43 C ATOM 1429 C GLY A 93 -19.481 -10.823 -18.140 1.00 51.51 C ATOM 1430 O GLY A 93 -20.697 -10.762 -17.955 1.00 23.35 O ATOM 0 H GLY A 93 -16.804 -10.626 -19.564 1.00 74.43 H new ATOM 0 HA2 GLY A 93 -18.806 -9.548 -19.720 1.00 22.43 H new ATOM 0 HA3 GLY A 93 -19.589 -11.017 -20.269 1.00 22.43 H new ATOM 1434 N ASP A 94 -18.612 -11.068 -17.166 1.00 1.21 N ATOM 1435 CA ASP A 94 -19.046 -11.284 -15.791 1.00 21.44 C ATOM 1436 C ASP A 94 -18.879 -10.015 -14.962 1.00 12.42 C ATOM 1437 O ASP A 94 -19.441 -9.893 -13.874 1.00 40.11 O ATOM 1438 CB ASP A 94 -18.254 -12.429 -15.158 1.00 24.25 C ATOM 1439 CG ASP A 94 -17.692 -13.385 -16.191 1.00 62.52 C ATOM 1440 OD1 ASP A 94 -18.402 -13.679 -17.175 1.00 71.02 O ATOM 1441 OD2 ASP A 94 -16.542 -13.841 -16.016 1.00 31.13 O ATOM 0 H ASP A 94 -17.603 -11.122 -17.303 1.00 1.21 H new ATOM 0 HA ASP A 94 -20.103 -11.549 -15.807 1.00 21.44 H new ATOM 0 HB2 ASP A 94 -17.437 -12.018 -14.566 1.00 24.25 H new ATOM 0 HB3 ASP A 94 -18.900 -12.978 -14.473 1.00 24.25 H new ATOM 1446 N GLY A 95 -18.102 -9.071 -15.484 1.00 4.21 N ATOM 1447 CA GLY A 95 -17.874 -7.823 -14.778 1.00 63.24 C ATOM 1448 C GLY A 95 -16.863 -7.967 -13.658 1.00 33.23 C ATOM 1449 O GLY A 95 -16.486 -6.983 -13.021 1.00 32.20 O ATOM 0 H GLY A 95 -17.626 -9.148 -16.383 1.00 4.21 H new ATOM 0 HA2 GLY A 95 -17.525 -7.069 -15.483 1.00 63.24 H new ATOM 0 HA3 GLY A 95 -18.818 -7.464 -14.368 1.00 63.24 H new ATOM 1453 N LYS A 96 -16.424 -9.197 -13.414 1.00 31.24 N ATOM 1454 CA LYS A 96 -15.451 -9.468 -12.362 1.00 35.23 C ATOM 1455 C LYS A 96 -14.159 -10.030 -12.947 1.00 15.43 C ATOM 1456 O LYS A 96 -14.187 -10.930 -13.787 1.00 13.35 O ATOM 1457 CB LYS A 96 -16.032 -10.452 -11.343 1.00 10.41 C ATOM 1458 CG LYS A 96 -16.209 -11.858 -11.888 1.00 75.11 C ATOM 1459 CD LYS A 96 -17.472 -12.510 -11.350 1.00 12.33 C ATOM 1460 CE LYS A 96 -17.153 -13.551 -10.288 1.00 61.33 C ATOM 1461 NZ LYS A 96 -18.388 -14.136 -9.696 1.00 4.02 N ATOM 0 H LYS A 96 -16.727 -10.023 -13.931 1.00 31.24 H new ATOM 0 HA LYS A 96 -15.223 -8.527 -11.861 1.00 35.23 H new ATOM 0 HB2 LYS A 96 -15.378 -10.489 -10.472 1.00 10.41 H new ATOM 0 HB3 LYS A 96 -16.998 -10.080 -11.001 1.00 10.41 H new ATOM 0 HG2 LYS A 96 -16.251 -11.825 -12.977 1.00 75.11 H new ATOM 0 HG3 LYS A 96 -15.343 -12.464 -11.621 1.00 75.11 H new ATOM 0 HD2 LYS A 96 -18.125 -11.746 -10.928 1.00 12.33 H new ATOM 0 HD3 LYS A 96 -18.018 -12.979 -12.169 1.00 12.33 H new ATOM 0 HE2 LYS A 96 -16.550 -14.345 -10.728 1.00 61.33 H new ATOM 0 HE3 LYS A 96 -16.554 -13.094 -9.500 1.00 61.33 H new ATOM 0 HZ1 LYS A 96 -18.128 -14.841 -8.977 1.00 4.02 H new ATOM 0 HZ2 LYS A 96 -18.952 -13.382 -9.254 1.00 4.02 H new ATOM 0 HZ3 LYS A 96 -18.948 -14.594 -10.443 1.00 4.02 H new ATOM 1475 N ILE A 97 -13.030 -9.494 -12.497 1.00 1.30 N ATOM 1476 CA ILE A 97 -11.728 -9.944 -12.975 1.00 13.35 C ATOM 1477 C ILE A 97 -11.222 -11.127 -12.157 1.00 3.23 C ATOM 1478 O ILE A 97 -11.446 -11.202 -10.949 1.00 44.33 O ATOM 1479 CB ILE A 97 -10.686 -8.811 -12.919 1.00 22.44 C ATOM 1480 CG1 ILE A 97 -10.969 -7.774 -14.007 1.00 43.01 C ATOM 1481 CG2 ILE A 97 -9.281 -9.376 -13.070 1.00 74.50 C ATOM 1482 CD1 ILE A 97 -10.820 -8.316 -15.412 1.00 2.35 C ATOM 0 H ILE A 97 -12.990 -8.748 -11.803 1.00 1.30 H new ATOM 0 HA ILE A 97 -11.861 -10.253 -14.012 1.00 13.35 H new ATOM 0 HB ILE A 97 -10.757 -8.320 -11.949 1.00 22.44 H new ATOM 0 HG12 ILE A 97 -11.982 -7.392 -13.879 1.00 43.01 H new ATOM 0 HG13 ILE A 97 -10.292 -6.930 -13.878 1.00 43.01 H new ATOM 0 HG21 ILE A 97 -8.556 -8.563 -13.028 1.00 74.50 H new ATOM 0 HG22 ILE A 97 -9.083 -10.080 -12.262 1.00 74.50 H new ATOM 0 HG23 ILE A 97 -9.196 -9.889 -14.028 1.00 74.50 H new ATOM 0 HD11 ILE A 97 -11.036 -7.526 -16.131 1.00 2.35 H new ATOM 0 HD12 ILE A 97 -9.800 -8.672 -15.558 1.00 2.35 H new ATOM 0 HD13 ILE A 97 -11.517 -9.141 -15.559 1.00 2.35 H new ATOM 1494 N GLY A 98 -10.535 -12.050 -12.824 1.00 12.14 N ATOM 1495 CA GLY A 98 -10.005 -13.217 -12.142 1.00 55.44 C ATOM 1496 C GLY A 98 -8.492 -13.283 -12.198 1.00 11.14 C ATOM 1497 O GLY A 98 -7.870 -12.697 -13.083 1.00 74.15 O ATOM 0 H GLY A 98 -10.336 -12.011 -13.824 1.00 12.14 H new ATOM 0 HA2 GLY A 98 -10.327 -13.203 -11.101 1.00 55.44 H new ATOM 0 HA3 GLY A 98 -10.422 -14.118 -12.592 1.00 55.44 H new ATOM 1501 N ALA A 99 -7.898 -13.997 -11.248 1.00 24.24 N ATOM 1502 CA ALA A 99 -6.448 -14.138 -11.192 1.00 1.10 C ATOM 1503 C ALA A 99 -5.932 -14.969 -12.362 1.00 43.50 C ATOM 1504 O ALA A 99 -4.724 -15.083 -12.568 1.00 20.32 O ATOM 1505 CB ALA A 99 -6.029 -14.766 -9.871 1.00 2.10 C ATOM 0 H ALA A 99 -8.398 -14.487 -10.506 1.00 24.24 H new ATOM 0 HA ALA A 99 -6.008 -13.143 -11.264 1.00 1.10 H new ATOM 0 HB1 ALA A 99 -4.944 -14.865 -9.843 1.00 2.10 H new ATOM 0 HB2 ALA A 99 -6.357 -14.132 -9.047 1.00 2.10 H new ATOM 0 HB3 ALA A 99 -6.486 -15.751 -9.775 1.00 2.10 H new ATOM 1511 N GLU A 100 -6.855 -15.546 -13.125 1.00 22.13 N ATOM 1512 CA GLU A 100 -6.491 -16.368 -14.273 1.00 50.52 C ATOM 1513 C GLU A 100 -6.816 -15.650 -15.580 1.00 51.11 C ATOM 1514 O GLU A 100 -6.570 -16.175 -16.666 1.00 14.15 O ATOM 1515 CB GLU A 100 -7.223 -17.710 -14.220 1.00 62.33 C ATOM 1516 CG GLU A 100 -6.470 -18.841 -14.900 1.00 63.24 C ATOM 1517 CD GLU A 100 -7.257 -20.137 -14.920 1.00 25.21 C ATOM 1518 OE1 GLU A 100 -8.375 -20.145 -15.476 1.00 5.01 O ATOM 1519 OE2 GLU A 100 -6.753 -21.144 -14.379 1.00 33.21 O ATOM 0 H GLU A 100 -7.859 -15.460 -12.969 1.00 22.13 H new ATOM 0 HA GLU A 100 -5.417 -16.547 -14.234 1.00 50.52 H new ATOM 0 HB2 GLU A 100 -7.400 -17.977 -13.178 1.00 62.33 H new ATOM 0 HB3 GLU A 100 -8.200 -17.600 -14.691 1.00 62.33 H new ATOM 0 HG2 GLU A 100 -6.231 -18.550 -15.923 1.00 63.24 H new ATOM 0 HG3 GLU A 100 -5.523 -19.003 -14.385 1.00 63.24 H new ATOM 1526 N GLU A 101 -7.371 -14.447 -15.466 1.00 25.00 N ATOM 1527 CA GLU A 101 -7.731 -13.658 -16.638 1.00 64.23 C ATOM 1528 C GLU A 101 -7.090 -12.274 -16.581 1.00 21.43 C ATOM 1529 O GLU A 101 -7.221 -11.478 -17.510 1.00 71.15 O ATOM 1530 CB GLU A 101 -9.251 -13.524 -16.743 1.00 72.31 C ATOM 1531 CG GLU A 101 -9.980 -13.831 -15.446 1.00 31.33 C ATOM 1532 CD GLU A 101 -11.458 -13.501 -15.515 1.00 14.23 C ATOM 1533 OE1 GLU A 101 -11.801 -12.301 -15.474 1.00 12.21 O ATOM 1534 OE2 GLU A 101 -12.272 -14.443 -15.610 1.00 34.20 O ATOM 0 H GLU A 101 -7.581 -13.998 -14.574 1.00 25.00 H new ATOM 0 HA GLU A 101 -7.357 -14.176 -17.521 1.00 64.23 H new ATOM 0 HB2 GLU A 101 -9.497 -12.510 -17.057 1.00 72.31 H new ATOM 0 HB3 GLU A 101 -9.614 -14.195 -17.521 1.00 72.31 H new ATOM 0 HG2 GLU A 101 -9.858 -14.887 -15.207 1.00 31.33 H new ATOM 0 HG3 GLU A 101 -9.523 -13.265 -14.634 1.00 31.33 H new ATOM 1541 N PHE A 102 -6.397 -11.995 -15.482 1.00 21.12 N ATOM 1542 CA PHE A 102 -5.737 -10.707 -15.301 1.00 23.41 C ATOM 1543 C PHE A 102 -4.419 -10.659 -16.069 1.00 72.11 C ATOM 1544 O PHE A 102 -4.217 -9.793 -16.920 1.00 73.52 O ATOM 1545 CB PHE A 102 -5.484 -10.444 -13.815 1.00 23.40 C ATOM 1546 CG PHE A 102 -4.842 -9.114 -13.543 1.00 13.25 C ATOM 1547 CD1 PHE A 102 -3.469 -8.958 -13.644 1.00 13.03 C ATOM 1548 CD2 PHE A 102 -5.613 -8.019 -13.185 1.00 5.04 C ATOM 1549 CE1 PHE A 102 -2.876 -7.735 -13.394 1.00 1.20 C ATOM 1550 CE2 PHE A 102 -5.025 -6.793 -12.934 1.00 62.42 C ATOM 1551 CZ PHE A 102 -3.655 -6.651 -13.038 1.00 22.43 C ATOM 0 H PHE A 102 -6.278 -12.643 -14.703 1.00 21.12 H new ATOM 0 HA PHE A 102 -6.395 -9.931 -15.693 1.00 23.41 H new ATOM 0 HB2 PHE A 102 -6.431 -10.498 -13.278 1.00 23.40 H new ATOM 0 HB3 PHE A 102 -4.847 -11.234 -13.418 1.00 23.40 H new ATOM 0 HD1 PHE A 102 -2.855 -9.802 -13.921 1.00 13.03 H new ATOM 0 HD2 PHE A 102 -6.685 -8.125 -13.101 1.00 5.04 H new ATOM 0 HE1 PHE A 102 -1.805 -7.627 -13.477 1.00 1.20 H new ATOM 0 HE2 PHE A 102 -5.636 -5.947 -12.657 1.00 62.42 H new ATOM 0 HZ PHE A 102 -3.194 -5.694 -12.841 1.00 22.43 H new ATOM 1561 N GLN A 103 -3.527 -11.595 -15.761 1.00 2.40 N ATOM 1562 CA GLN A 103 -2.228 -11.658 -16.421 1.00 53.02 C ATOM 1563 C GLN A 103 -2.388 -11.648 -17.938 1.00 3.31 C ATOM 1564 O GLN A 103 -1.578 -11.057 -18.652 1.00 14.41 O ATOM 1565 CB GLN A 103 -1.471 -12.913 -15.985 1.00 33.44 C ATOM 1566 CG GLN A 103 -2.249 -14.201 -16.206 1.00 41.33 C ATOM 1567 CD GLN A 103 -2.139 -15.158 -15.036 1.00 63.00 C ATOM 1568 OE1 GLN A 103 -2.386 -14.653 -13.833 1.00 63.41 O flip ATOM 1569 NE2 GLN A 103 -1.835 -16.338 -15.211 1.00 24.42 N flip ATOM 0 H GLN A 103 -3.680 -12.319 -15.059 1.00 2.40 H new ATOM 0 HA GLN A 103 -1.656 -10.777 -16.128 1.00 53.02 H new ATOM 0 HB2 GLN A 103 -0.530 -12.968 -16.533 1.00 33.44 H new ATOM 0 HB3 GLN A 103 -1.220 -12.827 -14.928 1.00 33.44 H new ATOM 0 HG2 GLN A 103 -3.299 -13.962 -16.377 1.00 41.33 H new ATOM 0 HG3 GLN A 103 -1.883 -14.692 -17.108 1.00 41.33 H new ATOM 0 HE21 GLN A 103 -1.654 -16.684 -16.153 1.00 24.42 H new ATOM 0 HE22 GLN A 103 -1.765 -16.970 -14.414 1.00 24.42 H new ATOM 1578 N GLU A 104 -3.436 -12.306 -18.422 1.00 70.15 N ATOM 1579 CA GLU A 104 -3.700 -12.373 -19.855 1.00 43.00 C ATOM 1580 C GLU A 104 -3.803 -10.974 -20.455 1.00 54.21 C ATOM 1581 O GLU A 104 -3.514 -10.769 -21.634 1.00 22.55 O ATOM 1582 CB GLU A 104 -4.989 -13.152 -20.123 1.00 14.51 C ATOM 1583 CG GLU A 104 -5.082 -14.459 -19.355 1.00 22.24 C ATOM 1584 CD GLU A 104 -6.227 -15.334 -19.827 1.00 42.22 C ATOM 1585 OE1 GLU A 104 -7.367 -14.829 -19.900 1.00 20.32 O ATOM 1586 OE2 GLU A 104 -5.983 -16.522 -20.124 1.00 13.02 O ATOM 0 H GLU A 104 -4.116 -12.800 -17.844 1.00 70.15 H new ATOM 0 HA GLU A 104 -2.866 -12.892 -20.328 1.00 43.00 H new ATOM 0 HB2 GLU A 104 -5.842 -12.526 -19.863 1.00 14.51 H new ATOM 0 HB3 GLU A 104 -5.061 -13.362 -21.190 1.00 14.51 H new ATOM 0 HG2 GLU A 104 -4.145 -15.005 -19.461 1.00 22.24 H new ATOM 0 HG3 GLU A 104 -5.208 -14.244 -18.294 1.00 22.24 H new ATOM 1593 N MET A 105 -4.219 -10.014 -19.635 1.00 72.11 N ATOM 1594 CA MET A 105 -4.361 -8.634 -20.084 1.00 43.13 C ATOM 1595 C MET A 105 -3.040 -7.881 -19.953 1.00 35.24 C ATOM 1596 O MET A 105 -2.850 -6.830 -20.564 1.00 13.41 O ATOM 1597 CB MET A 105 -5.449 -7.922 -19.279 1.00 35.10 C ATOM 1598 CG MET A 105 -4.935 -7.268 -18.007 1.00 1.00 C ATOM 1599 SD MET A 105 -4.721 -5.486 -18.180 1.00 22.01 S ATOM 1600 CE MET A 105 -6.394 -4.980 -18.570 1.00 71.21 C ATOM 0 H MET A 105 -4.464 -10.167 -18.657 1.00 72.11 H new ATOM 0 HA MET A 105 -4.648 -8.648 -21.135 1.00 43.13 H new ATOM 0 HB2 MET A 105 -5.914 -7.162 -19.906 1.00 35.10 H new ATOM 0 HB3 MET A 105 -6.226 -8.641 -19.020 1.00 35.10 H new ATOM 0 HG2 MET A 105 -5.631 -7.469 -17.193 1.00 1.00 H new ATOM 0 HG3 MET A 105 -3.982 -7.719 -17.730 1.00 1.00 H new ATOM 0 HE1 MET A 105 -6.425 -4.573 -19.581 1.00 71.21 H new ATOM 0 HE2 MET A 105 -7.059 -5.841 -18.505 1.00 71.21 H new ATOM 0 HE3 MET A 105 -6.718 -4.217 -17.862 1.00 71.21 H new ATOM 1610 N VAL A 106 -2.131 -8.426 -19.151 1.00 20.31 N ATOM 1611 CA VAL A 106 -0.828 -7.806 -18.940 1.00 32.51 C ATOM 1612 C VAL A 106 0.126 -8.129 -20.085 1.00 14.23 C ATOM 1613 O VAL A 106 0.349 -7.303 -20.970 1.00 22.44 O ATOM 1614 CB VAL A 106 -0.195 -8.268 -17.614 1.00 14.24 C ATOM 1615 CG1 VAL A 106 1.029 -7.427 -17.285 1.00 13.12 C ATOM 1616 CG2 VAL A 106 -1.215 -8.204 -16.487 1.00 10.55 C ATOM 0 H VAL A 106 -2.273 -9.295 -18.637 1.00 20.31 H new ATOM 0 HA VAL A 106 -0.992 -6.729 -18.900 1.00 32.51 H new ATOM 0 HB VAL A 106 0.125 -9.304 -17.725 1.00 14.24 H new ATOM 0 HG11 VAL A 106 1.463 -7.768 -16.345 1.00 13.12 H new ATOM 0 HG12 VAL A 106 1.765 -7.529 -18.082 1.00 13.12 H new ATOM 0 HG13 VAL A 106 0.737 -6.381 -17.192 1.00 13.12 H new ATOM 0 HG21 VAL A 106 -0.751 -8.534 -15.557 1.00 10.55 H new ATOM 0 HG22 VAL A 106 -1.567 -7.179 -16.373 1.00 10.55 H new ATOM 0 HG23 VAL A 106 -2.058 -8.853 -16.722 1.00 10.55 H new ATOM 1626 N GLN A 107 0.684 -9.335 -20.060 1.00 44.53 N ATOM 1627 CA GLN A 107 1.615 -9.766 -21.097 1.00 12.22 C ATOM 1628 C GLN A 107 0.933 -9.798 -22.461 1.00 23.42 C ATOM 1629 O GLN A 107 1.550 -9.494 -23.481 1.00 44.34 O ATOM 1630 CB GLN A 107 2.179 -11.148 -20.762 1.00 42.43 C ATOM 1631 CG GLN A 107 2.979 -11.182 -19.470 1.00 11.30 C ATOM 1632 CD GLN A 107 2.588 -12.339 -18.572 1.00 61.02 C ATOM 1633 OE1 GLN A 107 1.320 -12.383 -18.180 1.00 53.13 O flip ATOM 1634 NE2 GLN A 107 3.417 -13.185 -18.234 1.00 42.42 N flip ATOM 0 H GLN A 107 0.508 -10.030 -19.335 1.00 44.53 H new ATOM 0 HA GLN A 107 2.434 -9.048 -21.138 1.00 12.22 H new ATOM 0 HB2 GLN A 107 1.356 -11.859 -20.689 1.00 42.43 H new ATOM 0 HB3 GLN A 107 2.815 -11.480 -21.582 1.00 42.43 H new ATOM 0 HG2 GLN A 107 4.041 -11.253 -19.706 1.00 11.30 H new ATOM 0 HG3 GLN A 107 2.834 -10.245 -18.933 1.00 11.30 H new ATOM 0 HE21 GLN A 107 4.381 -13.112 -18.559 1.00 42.42 H new ATOM 0 HE22 GLN A 107 3.139 -13.958 -17.629 1.00 42.42 H new ATOM 1643 N SER A 108 -0.343 -10.170 -22.471 1.00 22.24 N ATOM 1644 CA SER A 108 -1.107 -10.247 -23.710 1.00 12.30 C ATOM 1645 C SER A 108 -2.304 -9.301 -23.669 1.00 62.24 C ATOM 1646 O SER A 108 -2.945 -9.052 -24.689 1.00 35.33 O ATOM 1647 CB SER A 108 -1.584 -11.680 -23.952 1.00 65.25 C ATOM 1648 OG SER A 108 -1.967 -11.869 -25.304 1.00 3.43 O ATOM 0 H SER A 108 -0.869 -10.423 -21.635 1.00 22.24 H new ATOM 0 HA SER A 108 -0.455 -9.946 -24.530 1.00 12.30 H new ATOM 0 HB2 SER A 108 -0.789 -12.380 -23.695 1.00 65.25 H new ATOM 0 HB3 SER A 108 -2.427 -11.901 -23.298 1.00 65.25 H new ATOM 0 HG SER A 108 -2.363 -11.042 -25.651 1.00 3.43 H new