USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1) USER MOD Set 2.1: A 6 THR OG1 : rot 160:sc= -3.07! USER MOD Set 2.2: A 29 SER OG : rot 127:sc= -4.34! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 GLN :FLIP amide:sc= -2.77! C(o=-3.7!,f=-2.8!) USER MOD Single : A 17 SER OG : rot -41:sc= 0.993 USER MOD Single : A 20 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 26 CYS SG : rot -179:sc= -3.75! USER MOD Single : A 32 SER OG : rot 130:sc= -0.796 USER MOD Single : A 34 GLN : amide:sc= -0.313 K(o=-0.31,f=-4.2!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 48 ASN : amide:sc= -1.63 K(o=-1.6,f=-14!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.825 K(o=-0.82,f=-4.6!) USER MOD Single : A 54 THR OG1 : rot -112:sc= 0.652 USER MOD Single : A 57 GLN : amide:sc= -0.256 K(o=-0.26,f=-1) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00339 USER MOD Single : A 61 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.095) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-6.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc=-0.00143 X(o=-0.0014,f=-0.13) USER MOD Single : A 82 THR OG1 : rot -15:sc= 1.24 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.454! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.384 USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= -0.199 (180deg=-0.881) USER MOD Single : A 92 THR OG1 : rot -170:sc= -0.489 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.414 -10.891 15.493 1.00 0.00 N ATOM 45 CA GLU A 4 60.154 -11.083 14.248 1.00 0.00 C ATOM 46 C GLU A 4 60.385 -9.762 13.519 1.00 0.00 C ATOM 47 O GLU A 4 59.522 -8.886 13.488 1.00 0.00 O ATOM 48 CB GLU A 4 59.382 -12.039 13.335 1.00 0.00 C ATOM 49 CG GLU A 4 60.187 -12.319 12.058 1.00 0.00 C ATOM 50 CD GLU A 4 59.411 -13.279 11.164 1.00 0.00 C ATOM 51 OE1 GLU A 4 58.238 -13.030 10.938 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.998 -14.251 10.719 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.127 -11.505 14.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.183 -12.973 13.860 1.00 0.00 H new ATOM 0 HB3 GLU A 4 58.416 -11.606 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.380 -11.387 11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.156 -12.747 12.314 1.00 0.00 H new ATOM 59 N VAL A 5 61.564 -9.651 12.918 1.00 0.00 N ATOM 60 CA VAL A 5 61.941 -8.466 12.164 1.00 0.00 C ATOM 61 C VAL A 5 61.033 -8.331 10.944 1.00 0.00 C ATOM 62 O VAL A 5 60.796 -9.314 10.242 1.00 0.00 O ATOM 63 CB VAL A 5 63.398 -8.619 11.723 1.00 0.00 C ATOM 64 CG1 VAL A 5 63.508 -9.734 10.680 1.00 0.00 C ATOM 65 CG2 VAL A 5 63.910 -7.305 11.128 1.00 0.00 C ATOM 0 H VAL A 5 62.280 -10.377 12.940 1.00 0.00 H new ATOM 0 HA VAL A 5 61.835 -7.572 12.779 1.00 0.00 H new ATOM 0 HB VAL A 5 64.005 -8.875 12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 5 64.547 -9.840 10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.162 -10.673 11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 5 62.894 -9.485 9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.948 -7.426 10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.302 -7.035 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.845 -6.516 11.878 1.00 0.00 H new ATOM 75 N THR A 6 60.513 -7.129 10.686 1.00 0.00 N ATOM 76 CA THR A 6 59.621 -6.957 9.520 1.00 0.00 C ATOM 77 C THR A 6 60.418 -6.518 8.307 1.00 0.00 C ATOM 78 O THR A 6 61.294 -5.661 8.412 1.00 0.00 O ATOM 79 CB THR A 6 58.522 -5.932 9.802 1.00 0.00 C ATOM 80 OG1 THR A 6 59.118 -4.711 10.181 1.00 0.00 O ATOM 81 CG2 THR A 6 57.600 -6.434 10.918 1.00 0.00 C ATOM 0 H THR A 6 60.680 -6.288 11.238 1.00 0.00 H new ATOM 0 HA THR A 6 59.152 -7.921 9.322 1.00 0.00 H new ATOM 0 HB THR A 6 57.925 -5.785 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 6 58.477 -3.981 10.054 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.822 -5.694 11.108 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.140 -7.374 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.181 -6.591 11.827 1.00 0.00 H new ATOM 89 N ILE A 7 60.121 -7.121 7.151 1.00 0.00 N ATOM 90 CA ILE A 7 60.834 -6.789 5.917 1.00 0.00 C ATOM 91 C ILE A 7 59.886 -6.216 4.859 1.00 0.00 C ATOM 92 O ILE A 7 59.081 -6.915 4.245 1.00 0.00 O ATOM 93 CB ILE A 7 61.584 -8.044 5.420 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.848 -7.646 4.624 1.00 0.00 C ATOM 95 CG2 ILE A 7 60.683 -8.936 4.552 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.019 -7.395 5.589 1.00 0.00 C ATOM 0 H ILE A 7 59.399 -7.834 7.046 1.00 0.00 H new ATOM 0 HA ILE A 7 61.565 -6.005 6.116 1.00 0.00 H new ATOM 0 HB ILE A 7 61.880 -8.613 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 7 63.109 -8.437 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.651 -6.749 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 7 61.246 -9.809 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 7 59.821 -9.260 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 7 60.342 -8.373 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.906 -7.115 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 7 63.759 -6.589 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 7 64.224 -8.303 6.157 1.00 0.00 H new ATOM 108 N LEU A 8 60.021 -4.915 4.664 1.00 0.00 N ATOM 109 CA LEU A 8 59.228 -4.169 3.678 1.00 0.00 C ATOM 110 C LEU A 8 60.185 -3.411 2.764 1.00 0.00 C ATOM 111 O LEU A 8 60.427 -2.219 2.954 1.00 0.00 O ATOM 112 CB LEU A 8 58.283 -3.169 4.377 1.00 0.00 C ATOM 113 CG LEU A 8 56.952 -3.843 4.762 1.00 0.00 C ATOM 114 CD1 LEU A 8 57.161 -4.862 5.904 1.00 0.00 C ATOM 115 CD2 LEU A 8 55.960 -2.753 5.195 1.00 0.00 C ATOM 0 H LEU A 8 60.683 -4.337 5.182 1.00 0.00 H new ATOM 0 HA LEU A 8 58.620 -4.867 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.765 -2.771 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.089 -2.324 3.716 1.00 0.00 H new ATOM 0 HG LEU A 8 56.558 -4.386 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.207 -5.324 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.863 -5.631 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.561 -4.350 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.011 -3.213 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.364 -2.213 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.800 -2.058 4.370 1.00 0.00 H new ATOM 127 N GLU A 9 60.751 -4.119 1.792 1.00 0.00 N ATOM 128 CA GLU A 9 61.715 -3.521 0.865 1.00 0.00 C ATOM 129 C GLU A 9 61.241 -3.622 -0.584 1.00 0.00 C ATOM 130 O GLU A 9 61.588 -4.571 -1.284 1.00 0.00 O ATOM 131 CB GLU A 9 63.049 -4.252 1.008 1.00 0.00 C ATOM 132 CG GLU A 9 63.671 -3.928 2.376 1.00 0.00 C ATOM 133 CD GLU A 9 64.654 -5.021 2.784 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.351 -6.178 2.551 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.692 -4.683 3.326 1.00 0.00 O1- ATOM 0 H GLU A 9 60.561 -5.107 1.623 1.00 0.00 H new ATOM 0 HA GLU A 9 61.821 -2.464 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 9 62.898 -5.327 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.727 -3.952 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 64.183 -2.967 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.886 -3.836 3.127 1.00 0.00 H new ATOM 142 N PRO A 10 60.478 -2.663 -1.055 1.00 0.00 N ATOM 143 CA PRO A 10 59.990 -2.659 -2.460 1.00 0.00 C ATOM 144 C PRO A 10 61.124 -2.302 -3.427 1.00 0.00 C ATOM 145 O PRO A 10 60.962 -2.360 -4.647 1.00 0.00 O ATOM 146 CB PRO A 10 58.858 -1.600 -2.484 1.00 0.00 C ATOM 147 CG PRO A 10 58.758 -1.034 -1.085 1.00 0.00 C ATOM 148 CD PRO A 10 59.999 -1.491 -0.310 1.00 0.00 C ATOM 0 HA PRO A 10 59.628 -3.636 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.081 -0.813 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.913 -2.051 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.705 0.054 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.850 -1.384 -0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.755 -0.707 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.753 -1.747 0.720 1.00 0.00 H new ATOM 156 N LEU A 11 62.266 -1.925 -2.859 1.00 0.00 N ATOM 157 CA LEU A 11 63.431 -1.545 -3.651 1.00 0.00 C ATOM 158 C LEU A 11 63.834 -2.660 -4.611 1.00 0.00 C ATOM 159 O LEU A 11 64.734 -3.449 -4.320 1.00 0.00 O ATOM 160 CB LEU A 11 64.608 -1.249 -2.716 1.00 0.00 C ATOM 161 CG LEU A 11 64.311 0.003 -1.882 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.417 0.179 -0.837 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.237 1.248 -2.792 1.00 0.00 C ATOM 0 H LEU A 11 62.409 -1.875 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 11 63.172 -0.660 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.785 -2.101 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.518 -1.101 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 11 63.349 -0.113 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.214 1.067 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.447 -0.696 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.378 0.291 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.026 2.129 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.189 1.381 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.444 1.114 -3.528 1.00 0.00 H new ATOM 175 N GLN A 12 63.170 -2.716 -5.762 1.00 0.00 N ATOM 176 CA GLN A 12 63.474 -3.733 -6.764 1.00 0.00 C ATOM 177 C GLN A 12 64.622 -3.275 -7.664 1.00 0.00 C ATOM 178 O GLN A 12 65.691 -3.884 -7.680 1.00 0.00 O ATOM 179 CB GLN A 12 62.231 -4.013 -7.616 1.00 0.00 C ATOM 180 CG GLN A 12 62.556 -5.062 -8.686 1.00 0.00 C ATOM 181 CD GLN A 12 61.306 -5.391 -9.492 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.193 -5.086 -9.067 1.00 0.00 O ATOM 183 NE2 GLN A 12 61.428 -5.997 -10.641 1.00 0.00 N ATOM 0 H GLN A 12 62.422 -2.073 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 12 63.775 -4.646 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.418 -4.367 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.889 -3.092 -8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 12 63.337 -4.688 -9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 12 62.943 -5.966 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 12 62.353 -6.248 -10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 12 60.598 -6.220 -11.191 1.00 0.00 H new ATOM 192 N ASP A 13 64.387 -2.210 -8.426 1.00 0.00 N ATOM 193 CA ASP A 13 65.404 -1.700 -9.339 1.00 0.00 C ATOM 194 C ASP A 13 64.981 -0.352 -9.921 1.00 0.00 C ATOM 195 O ASP A 13 63.801 -0.131 -10.199 1.00 0.00 O ATOM 196 CB ASP A 13 65.617 -2.702 -10.475 1.00 0.00 C ATOM 197 CG ASP A 13 66.809 -2.288 -11.330 1.00 0.00 C ATOM 198 OD1 ASP A 13 67.228 -1.150 -11.220 1.00 0.00 O ATOM 199 OD2 ASP A 13 67.287 -3.119 -12.085 1.00 0.00 O1- ATOM 0 H ASP A 13 63.510 -1.688 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 13 66.333 -1.564 -8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.784 -3.698 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 13 64.720 -2.758 -11.092 1.00 0.00 H new ATOM 204 N VAL A 14 65.951 0.550 -10.099 1.00 0.00 N ATOM 205 CA VAL A 14 65.671 1.882 -10.650 1.00 0.00 C ATOM 206 C VAL A 14 66.672 2.241 -11.753 1.00 0.00 C ATOM 207 O VAL A 14 67.739 1.639 -11.848 1.00 0.00 O ATOM 208 CB VAL A 14 65.736 2.930 -9.539 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.643 2.643 -8.508 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.106 2.878 -8.856 1.00 0.00 C ATOM 0 H VAL A 14 66.932 0.385 -9.872 1.00 0.00 H new ATOM 0 HA VAL A 14 64.670 1.868 -11.081 1.00 0.00 H new ATOM 0 HB VAL A 14 65.586 3.921 -9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.687 3.389 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.667 2.684 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.795 1.651 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.147 3.627 -8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.261 1.888 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.886 3.082 -9.589 1.00 0.00 H new ATOM 220 N GLN A 15 66.319 3.229 -12.584 1.00 0.00 N ATOM 221 CA GLN A 15 67.194 3.668 -13.681 1.00 0.00 C ATOM 222 C GLN A 15 67.382 5.187 -13.625 1.00 0.00 C ATOM 223 O GLN A 15 66.424 5.944 -13.781 1.00 0.00 O ATOM 224 CB GLN A 15 66.572 3.269 -15.032 1.00 0.00 C ATOM 225 CG GLN A 15 65.043 3.353 -14.946 1.00 0.00 C ATOM 226 CD GLN A 15 64.479 2.111 -14.262 1.00 0.00 C ATOM 227 OE1 GLN A 15 63.730 2.246 -13.204 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 64.730 0.990 -14.703 1.00 0.00 N flip ATOM 0 H GLN A 15 65.438 3.739 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 15 68.166 3.186 -13.576 1.00 0.00 H new ATOM 0 HB2 GLN A 15 66.938 3.928 -15.820 1.00 0.00 H new ATOM 0 HB3 GLN A 15 66.875 2.256 -15.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 64.752 4.245 -14.391 1.00 0.00 H new ATOM 0 HG3 GLN A 15 64.621 3.448 -15.946 1.00 0.00 H new ATOM 0 HE21 GLN A 15 65.316 0.887 -15.531 1.00 0.00 H new ATOM 0 HE22 GLN A 15 64.352 0.163 -14.240 1.00 0.00 H new ATOM 237 N LEU A 16 68.623 5.625 -13.387 1.00 0.00 N ATOM 238 CA LEU A 16 68.931 7.061 -13.293 1.00 0.00 C ATOM 239 C LEU A 16 69.991 7.473 -14.312 1.00 0.00 C ATOM 240 O LEU A 16 70.933 6.727 -14.583 1.00 0.00 O ATOM 241 CB LEU A 16 69.455 7.378 -11.893 1.00 0.00 C ATOM 242 CG LEU A 16 68.428 6.969 -10.836 1.00 0.00 C ATOM 243 CD1 LEU A 16 69.079 7.084 -9.461 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.198 7.887 -10.895 1.00 0.00 C ATOM 0 H LEU A 16 69.428 5.012 -13.256 1.00 0.00 H new ATOM 0 HA LEU A 16 68.014 7.613 -13.498 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.394 6.851 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.668 8.444 -11.810 1.00 0.00 H new ATOM 0 HG LEU A 16 68.104 5.945 -11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 68.361 6.796 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 16 69.946 6.425 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 69.396 8.113 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 16 66.478 7.581 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.504 8.917 -10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.738 7.816 -11.881 1.00 0.00 H new ATOM 256 N SER A 17 69.839 8.681 -14.852 1.00 0.00 N ATOM 257 CA SER A 17 70.794 9.208 -15.820 1.00 0.00 C ATOM 258 C SER A 17 72.016 9.769 -15.096 1.00 0.00 C ATOM 259 O SER A 17 71.945 10.112 -13.916 1.00 0.00 O ATOM 260 CB SER A 17 70.138 10.314 -16.652 1.00 0.00 C ATOM 261 OG SER A 17 69.272 9.729 -17.615 1.00 0.00 O ATOM 0 H SER A 17 69.066 9.310 -14.635 1.00 0.00 H new ATOM 0 HA SER A 17 71.108 8.400 -16.480 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.577 10.988 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.902 10.912 -17.149 1.00 0.00 H new ATOM 0 HG SER A 17 69.696 8.932 -17.995 1.00 0.00 H new ATOM 267 N GLU A 18 73.134 9.862 -15.804 1.00 0.00 N ATOM 268 CA GLU A 18 74.355 10.386 -15.207 1.00 0.00 C ATOM 269 C GLU A 18 74.189 11.860 -14.853 1.00 0.00 C ATOM 270 O GLU A 18 73.464 12.592 -15.527 1.00 0.00 O ATOM 271 CB GLU A 18 75.527 10.221 -16.175 1.00 0.00 C ATOM 272 CG GLU A 18 76.816 10.723 -15.512 1.00 0.00 C ATOM 273 CD GLU A 18 78.002 10.492 -16.439 1.00 0.00 C ATOM 274 OE1 GLU A 18 79.120 10.666 -15.988 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.774 10.143 -17.584 1.00 0.00 O1- ATOM 0 H GLU A 18 73.221 9.585 -16.782 1.00 0.00 H new ATOM 0 HA GLU A 18 74.558 9.825 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.635 9.173 -16.456 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.336 10.779 -17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.726 11.784 -15.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.975 10.203 -14.567 1.00 0.00 H new ATOM 282 N GLY A 19 74.870 12.286 -13.796 1.00 0.00 N ATOM 283 CA GLY A 19 74.799 13.679 -13.361 1.00 0.00 C ATOM 284 C GLY A 19 73.555 13.927 -12.521 1.00 0.00 C ATOM 285 O GLY A 19 73.223 15.072 -12.213 1.00 0.00 O ATOM 0 H GLY A 19 75.474 11.693 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.688 13.928 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.791 14.335 -14.231 1.00 0.00 H new ATOM 289 N GLN A 20 72.871 12.846 -12.146 1.00 0.00 N ATOM 290 CA GLN A 20 71.660 12.946 -11.329 1.00 0.00 C ATOM 291 C GLN A 20 71.842 12.167 -10.034 1.00 0.00 C ATOM 292 O GLN A 20 72.505 11.131 -10.007 1.00 0.00 O ATOM 293 CB GLN A 20 70.460 12.398 -12.103 1.00 0.00 C ATOM 294 CG GLN A 20 70.201 13.290 -13.319 1.00 0.00 C ATOM 295 CD GLN A 20 69.006 12.772 -14.112 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.379 11.785 -13.725 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.646 13.392 -15.204 1.00 0.00 N ATOM 0 H GLN A 20 73.134 11.892 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 20 71.479 13.994 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.654 11.374 -12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.579 12.371 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 20 70.014 14.314 -12.994 1.00 0.00 H new ATOM 0 HG3 GLN A 20 71.085 13.314 -13.956 1.00 0.00 H new ATOM 0 HE21 GLN A 20 69.167 14.209 -15.522 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.844 13.059 -15.739 1.00 0.00 H new ATOM 306 N ASP A 21 71.259 12.678 -8.959 1.00 0.00 N ATOM 307 CA ASP A 21 71.372 12.028 -7.664 1.00 0.00 C ATOM 308 C ASP A 21 70.498 10.784 -7.617 1.00 0.00 C ATOM 309 O ASP A 21 69.586 10.623 -8.427 1.00 0.00 O ATOM 310 CB ASP A 21 70.941 12.995 -6.563 1.00 0.00 C ATOM 311 CG ASP A 21 71.892 14.185 -6.521 1.00 0.00 C ATOM 312 OD1 ASP A 21 71.529 15.189 -5.929 1.00 0.00 O ATOM 313 OD2 ASP A 21 72.964 14.081 -7.091 1.00 0.00 O1- ATOM 0 H ASP A 21 70.707 13.535 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 21 72.411 11.736 -7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.923 13.338 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.938 12.486 -5.599 1.00 0.00 H new ATOM 318 N ALA A 22 70.777 9.910 -6.656 1.00 0.00 N ATOM 319 CA ALA A 22 70.009 8.676 -6.491 1.00 0.00 C ATOM 320 C ALA A 22 69.606 8.526 -5.036 1.00 0.00 C ATOM 321 O ALA A 22 70.172 9.181 -4.167 1.00 0.00 O ATOM 322 CB ALA A 22 70.844 7.469 -6.922 1.00 0.00 C ATOM 0 H ALA A 22 71.529 10.031 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 22 69.117 8.725 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.260 6.558 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.124 7.576 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.744 7.412 -6.310 1.00 0.00 H new ATOM 328 N SER A 23 68.622 7.682 -4.769 1.00 0.00 N ATOM 329 CA SER A 23 68.171 7.493 -3.397 1.00 0.00 C ATOM 330 C SER A 23 67.428 6.174 -3.231 1.00 0.00 C ATOM 331 O SER A 23 66.908 5.608 -4.192 1.00 0.00 O ATOM 332 CB SER A 23 67.255 8.647 -2.997 1.00 0.00 C ATOM 333 OG SER A 23 66.237 8.792 -3.977 1.00 0.00 O ATOM 0 H SER A 23 68.128 7.126 -5.467 1.00 0.00 H new ATOM 0 HA SER A 23 69.050 7.471 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.812 8.454 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 23 67.828 9.570 -2.911 1.00 0.00 H new ATOM 0 HG SER A 23 65.644 9.530 -3.726 1.00 0.00 H new ATOM 339 N PHE A 24 67.373 5.706 -1.988 1.00 0.00 N ATOM 340 CA PHE A 24 66.681 4.464 -1.658 1.00 0.00 C ATOM 341 C PHE A 24 65.930 4.640 -0.345 1.00 0.00 C ATOM 342 O PHE A 24 66.371 5.380 0.533 1.00 0.00 O ATOM 343 CB PHE A 24 67.684 3.312 -1.518 1.00 0.00 C ATOM 344 CG PHE A 24 68.383 3.044 -2.840 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.776 3.175 -2.940 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.643 2.641 -3.958 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.421 2.901 -4.153 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.287 2.373 -5.170 1.00 0.00 C ATOM 349 CZ PHE A 24 69.675 2.499 -5.267 1.00 0.00 C ATOM 0 H PHE A 24 67.802 6.171 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 24 65.981 4.227 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.422 3.557 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.167 2.412 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 24 70.352 3.487 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.571 2.537 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.494 3.000 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.711 2.068 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.172 2.286 -6.202 1.00 0.00 H new ATOM 359 N GLN A 25 64.798 3.954 -0.208 1.00 0.00 N ATOM 360 CA GLN A 25 63.999 4.044 1.016 1.00 0.00 C ATOM 361 C GLN A 25 63.535 2.655 1.433 1.00 0.00 C ATOM 362 O GLN A 25 62.946 1.923 0.638 1.00 0.00 O ATOM 363 CB GLN A 25 62.781 4.943 0.786 1.00 0.00 C ATOM 364 CG GLN A 25 62.177 5.340 2.135 1.00 0.00 C ATOM 365 CD GLN A 25 60.962 6.236 1.923 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.741 6.735 0.819 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.159 6.475 2.924 1.00 0.00 N ATOM 0 H GLN A 25 64.414 3.334 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 25 64.615 4.473 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 25 63.073 5.834 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.039 4.420 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.888 4.447 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.922 5.861 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.345 6.060 3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.346 7.077 2.793 1.00 0.00 H new ATOM 376 N CYS A 26 63.809 2.297 2.685 1.00 0.00 N ATOM 377 CA CYS A 26 63.424 0.988 3.211 1.00 0.00 C ATOM 378 C CYS A 26 62.699 1.141 4.544 1.00 0.00 C ATOM 379 O CYS A 26 62.785 2.180 5.196 1.00 0.00 O ATOM 380 CB CYS A 26 64.677 0.123 3.403 1.00 0.00 C ATOM 381 SG CYS A 26 64.273 -1.332 4.403 1.00 0.00 S ATOM 0 H CYS A 26 64.296 2.893 3.354 1.00 0.00 H new ATOM 0 HA CYS A 26 62.752 0.508 2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.067 -0.188 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.460 0.704 3.890 1.00 0.00 H new ATOM 0 HG CYS A 26 65.343 -2.050 4.577 1.00 0.00 H new ATOM 387 N ARG A 27 61.991 0.091 4.943 1.00 0.00 N ATOM 388 CA ARG A 27 61.258 0.093 6.208 1.00 0.00 C ATOM 389 C ARG A 27 61.330 -1.291 6.832 1.00 0.00 C ATOM 390 O ARG A 27 60.812 -2.251 6.265 1.00 0.00 O ATOM 391 CB ARG A 27 59.791 0.446 5.962 1.00 0.00 C ATOM 392 CG ARG A 27 59.051 0.549 7.301 1.00 0.00 C ATOM 393 CD ARG A 27 57.579 0.864 7.041 1.00 0.00 C ATOM 394 NE ARG A 27 56.849 0.947 8.299 1.00 0.00 N ATOM 395 CZ ARG A 27 55.547 1.218 8.315 1.00 0.00 C ATOM 396 NH1 ARG A 27 54.861 1.057 9.412 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 54.958 1.642 7.230 1.00 0.00 N ATOM 0 H ARG A 27 61.908 -0.775 4.410 1.00 0.00 H new ATOM 0 HA ARG A 27 61.703 0.831 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.720 1.391 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.324 -0.314 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.143 -0.386 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.498 1.328 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.492 1.806 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.141 0.091 6.409 1.00 0.00 H new ATOM 0 HE ARG A 27 57.343 0.795 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.323 0.723 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 27 53.862 1.265 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.496 1.765 6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 27 53.960 1.850 7.240 1.00 0.00 H new ATOM 411 N LEU A 28 61.961 -1.407 7.996 1.00 0.00 N ATOM 412 CA LEU A 28 62.055 -2.714 8.646 1.00 0.00 C ATOM 413 C LEU A 28 62.013 -2.593 10.161 1.00 0.00 C ATOM 414 O LEU A 28 62.835 -1.912 10.766 1.00 0.00 O ATOM 415 CB LEU A 28 63.338 -3.434 8.199 1.00 0.00 C ATOM 416 CG LEU A 28 64.605 -2.662 8.672 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.214 -3.333 9.913 1.00 0.00 C ATOM 418 CD2 LEU A 28 65.663 -2.654 7.556 1.00 0.00 C ATOM 0 H LEU A 28 62.404 -0.638 8.499 1.00 0.00 H new ATOM 0 HA LEU A 28 61.190 -3.302 8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 28 63.352 -4.446 8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 63.348 -3.526 7.113 1.00 0.00 H new ATOM 0 HG LEU A 28 64.307 -1.642 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.098 -2.780 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 64.482 -3.338 10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 65.495 -4.358 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.546 -2.112 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 28 65.939 -3.679 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 28 65.255 -2.165 6.671 1.00 0.00 H new ATOM 430 N SER A 29 61.055 -3.285 10.769 1.00 0.00 N ATOM 431 CA SER A 29 60.930 -3.273 12.215 1.00 0.00 C ATOM 432 C SER A 29 62.191 -3.866 12.813 1.00 0.00 C ATOM 433 O SER A 29 62.941 -4.559 12.123 1.00 0.00 O ATOM 434 CB SER A 29 59.705 -4.064 12.677 1.00 0.00 C ATOM 435 OG SER A 29 59.856 -5.425 12.307 1.00 0.00 O ATOM 0 H SER A 29 60.361 -3.855 10.285 1.00 0.00 H new ATOM 0 HA SER A 29 60.799 -2.245 12.551 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.591 -3.980 13.758 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.802 -3.652 12.228 1.00 0.00 H new ATOM 0 HG SER A 29 59.731 -5.994 13.095 1.00 0.00 H new ATOM 441 N ARG A 30 62.421 -3.567 14.081 1.00 0.00 N ATOM 442 CA ARG A 30 63.623 -4.009 14.776 1.00 0.00 C ATOM 443 C ARG A 30 63.853 -5.513 14.690 1.00 0.00 C ATOM 444 O ARG A 30 62.934 -6.302 14.476 1.00 0.00 O ATOM 445 CB ARG A 30 63.510 -3.606 16.239 1.00 0.00 C ATOM 446 CG ARG A 30 62.236 -4.207 16.835 1.00 0.00 C ATOM 447 CD ARG A 30 62.071 -3.732 18.279 1.00 0.00 C ATOM 448 NE ARG A 30 63.089 -4.335 19.128 1.00 0.00 N ATOM 449 CZ ARG A 30 63.232 -3.961 20.395 1.00 0.00 C ATOM 450 NH1 ARG A 30 62.199 -3.962 21.194 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 64.400 -3.583 20.834 1.00 0.00 N ATOM 0 H ARG A 30 61.785 -3.015 14.656 1.00 0.00 H new ATOM 0 HA ARG A 30 64.474 -3.533 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.383 -3.954 16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.489 -2.520 16.328 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.370 -3.910 16.243 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.286 -5.295 16.803 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.148 -2.646 18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.079 -3.996 18.645 1.00 0.00 H new ATOM 0 HE ARG A 30 63.701 -5.055 18.744 1.00 0.00 H new ATOM 0 HH11 ARG A 30 61.285 -4.250 20.845 1.00 0.00 H new ATOM 0 HH12 ARG A 30 62.307 -3.675 22.167 1.00 0.00 H new ATOM 0 HH21 ARG A 30 65.203 -3.575 20.205 1.00 0.00 H new ATOM 0 HH22 ARG A 30 64.511 -3.296 21.806 1.00 0.00 H new ATOM 465 N ALA A 31 65.127 -5.874 14.847 1.00 0.00 N ATOM 466 CA ALA A 31 65.570 -7.261 14.786 1.00 0.00 C ATOM 467 C ALA A 31 64.786 -8.154 15.739 1.00 0.00 C ATOM 468 O ALA A 31 63.904 -7.694 16.466 1.00 0.00 O ATOM 469 CB ALA A 31 67.057 -7.333 15.133 1.00 0.00 C ATOM 0 H ALA A 31 65.880 -5.208 15.020 1.00 0.00 H new ATOM 0 HA ALA A 31 65.395 -7.622 13.772 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.391 -8.370 15.088 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.626 -6.737 14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.215 -6.944 16.139 1.00 0.00 H new ATOM 475 N SER A 32 65.130 -9.440 15.732 1.00 0.00 N ATOM 476 CA SER A 32 64.476 -10.414 16.600 1.00 0.00 C ATOM 477 C SER A 32 65.403 -11.603 16.815 1.00 0.00 C ATOM 478 O SER A 32 65.660 -12.009 17.948 1.00 0.00 O ATOM 479 CB SER A 32 63.163 -10.887 15.972 1.00 0.00 C ATOM 480 OG SER A 32 63.445 -11.831 14.947 1.00 0.00 O ATOM 0 H SER A 32 65.858 -9.831 15.134 1.00 0.00 H new ATOM 0 HA SER A 32 64.255 -9.945 17.559 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.525 -11.338 16.732 1.00 0.00 H new ATOM 0 HB3 SER A 32 62.617 -10.038 15.560 1.00 0.00 H new ATOM 0 HG SER A 32 62.893 -12.630 15.077 1.00 0.00 H new ATOM 486 N GLY A 33 65.921 -12.142 15.712 1.00 0.00 N ATOM 487 CA GLY A 33 66.847 -13.271 15.771 1.00 0.00 C ATOM 488 C GLY A 33 68.274 -12.779 15.575 1.00 0.00 C ATOM 489 O GLY A 33 69.091 -12.830 16.494 1.00 0.00 O ATOM 0 H GLY A 33 65.715 -11.815 14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.756 -13.778 16.732 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.595 -14.000 15.001 1.00 0.00 H new ATOM 493 N GLN A 34 68.562 -12.288 14.367 1.00 0.00 N ATOM 494 CA GLN A 34 69.891 -11.765 14.044 1.00 0.00 C ATOM 495 C GLN A 34 69.791 -10.314 13.573 1.00 0.00 C ATOM 496 O GLN A 34 68.736 -9.871 13.122 1.00 0.00 O ATOM 497 CB GLN A 34 70.542 -12.625 12.958 1.00 0.00 C ATOM 498 CG GLN A 34 70.812 -14.025 13.514 1.00 0.00 C ATOM 499 CD GLN A 34 71.381 -14.924 12.422 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.025 -14.782 11.252 1.00 0.00 O ATOM 501 NE2 GLN A 34 72.249 -15.847 12.737 1.00 0.00 N ATOM 0 H GLN A 34 67.894 -12.242 13.598 1.00 0.00 H new ATOM 0 HA GLN A 34 70.508 -11.799 14.942 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.889 -12.687 12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.474 -12.167 12.626 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.512 -13.965 14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 34 69.889 -14.454 13.904 1.00 0.00 H new ATOM 0 HE21 GLN A 34 72.542 -15.962 13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.634 -16.453 12.013 1.00 0.00 H new ATOM 510 N GLU A 35 70.895 -9.580 13.690 1.00 0.00 N ATOM 511 CA GLU A 35 70.923 -8.175 13.282 1.00 0.00 C ATOM 512 C GLU A 35 71.084 -8.053 11.768 1.00 0.00 C ATOM 513 O GLU A 35 71.825 -8.816 11.149 1.00 0.00 O ATOM 514 CB GLU A 35 72.083 -7.459 13.986 1.00 0.00 C ATOM 515 CG GLU A 35 72.022 -5.952 13.702 1.00 0.00 C ATOM 516 CD GLU A 35 70.821 -5.335 14.411 1.00 0.00 C ATOM 517 OE1 GLU A 35 70.538 -4.176 14.156 1.00 0.00 O ATOM 518 OE2 GLU A 35 70.207 -6.027 15.205 1.00 0.00 O1- ATOM 0 H GLU A 35 71.778 -9.931 14.062 1.00 0.00 H new ATOM 0 HA GLU A 35 69.978 -7.711 13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.032 -7.637 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.034 -7.864 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.940 -5.472 14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.949 -5.779 12.628 1.00 0.00 H new ATOM 525 N ALA A 36 70.389 -7.079 11.181 1.00 0.00 N ATOM 526 CA ALA A 36 70.465 -6.856 9.739 1.00 0.00 C ATOM 527 C ALA A 36 71.760 -6.135 9.382 1.00 0.00 C ATOM 528 O ALA A 36 72.246 -5.304 10.148 1.00 0.00 O ATOM 529 CB ALA A 36 69.272 -6.018 9.275 1.00 0.00 C ATOM 0 H ALA A 36 69.772 -6.437 11.678 1.00 0.00 H new ATOM 0 HA ALA A 36 70.445 -7.824 9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.337 -5.857 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.346 -6.543 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 36 69.282 -5.056 9.787 1.00 0.00 H new ATOM 535 N ARG A 37 72.318 -6.457 8.212 1.00 0.00 N ATOM 536 CA ARG A 37 73.567 -5.832 7.763 1.00 0.00 C ATOM 537 C ARG A 37 73.427 -5.283 6.348 1.00 0.00 C ATOM 538 O ARG A 37 72.747 -5.868 5.497 1.00 0.00 O ATOM 539 CB ARG A 37 74.703 -6.855 7.806 1.00 0.00 C ATOM 540 CG ARG A 37 74.960 -7.257 9.261 1.00 0.00 C ATOM 541 CD ARG A 37 76.093 -8.284 9.321 1.00 0.00 C ATOM 542 NE ARG A 37 76.302 -8.723 10.699 1.00 0.00 N ATOM 543 CZ ARG A 37 77.164 -8.104 11.501 1.00 0.00 C ATOM 544 NH1 ARG A 37 76.740 -7.208 12.352 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.434 -8.396 11.439 1.00 0.00 N ATOM 0 H ARG A 37 71.929 -7.141 7.563 1.00 0.00 H new ATOM 0 HA ARG A 37 73.793 -5.003 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.442 -7.732 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.607 -6.432 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.222 -6.378 9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.053 -7.676 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.852 -9.140 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 37 77.011 -7.847 8.927 1.00 0.00 H new ATOM 0 HE ARG A 37 75.775 -9.521 11.054 1.00 0.00 H new ATOM 0 HH11 ARG A 37 75.747 -6.982 12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 37 77.402 -6.734 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 37 78.764 -9.098 10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 37 79.097 -7.923 12.053 1.00 0.00 H new ATOM 559 N TRP A 38 74.088 -4.150 6.113 1.00 0.00 N ATOM 560 CA TRP A 38 74.073 -3.483 4.811 1.00 0.00 C ATOM 561 C TRP A 38 75.371 -3.815 4.072 1.00 0.00 C ATOM 562 O TRP A 38 76.374 -4.146 4.704 1.00 0.00 O ATOM 563 CB TRP A 38 73.948 -1.964 5.034 1.00 0.00 C ATOM 564 CG TRP A 38 73.322 -1.302 3.848 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.959 -0.456 3.010 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.951 -1.402 3.366 1.00 0.00 C ATOM 567 NE1 TRP A 38 73.071 -0.031 2.040 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.820 -0.587 2.216 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.821 -2.114 3.807 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.611 -0.482 1.529 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.601 -2.010 3.118 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.497 -1.194 1.983 1.00 0.00 C ATOM 0 H TRP A 38 74.648 -3.670 6.818 1.00 0.00 H new ATOM 0 HA TRP A 38 73.229 -3.823 4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.347 -1.771 5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.934 -1.536 5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.995 -0.160 3.086 1.00 0.00 H new ATOM 0 HE1 TRP A 38 73.311 0.614 1.287 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.892 -2.745 4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.536 0.145 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.739 -2.561 3.464 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.556 -1.115 1.459 1.00 0.00 H new ATOM 583 N ALA A 39 75.363 -3.742 2.741 1.00 0.00 N ATOM 584 CA ALA A 39 76.575 -4.063 1.989 1.00 0.00 C ATOM 585 C ALA A 39 76.498 -3.570 0.548 1.00 0.00 C ATOM 586 O ALA A 39 75.420 -3.479 -0.041 1.00 0.00 O ATOM 587 CB ALA A 39 76.809 -5.577 1.996 1.00 0.00 C ATOM 0 H ALA A 39 74.558 -3.472 2.176 1.00 0.00 H new ATOM 0 HA ALA A 39 77.406 -3.554 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.714 -5.808 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.922 -5.923 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 39 75.958 -6.079 1.536 1.00 0.00 H new ATOM 593 N LEU A 40 77.668 -3.269 -0.013 1.00 0.00 N ATOM 594 CA LEU A 40 77.782 -2.801 -1.394 1.00 0.00 C ATOM 595 C LEU A 40 78.836 -3.652 -2.096 1.00 0.00 C ATOM 596 O LEU A 40 80.003 -3.649 -1.704 1.00 0.00 O ATOM 597 CB LEU A 40 78.202 -1.321 -1.387 1.00 0.00 C ATOM 598 CG LEU A 40 77.893 -0.629 -2.733 1.00 0.00 C ATOM 599 CD1 LEU A 40 78.515 -1.409 -3.895 1.00 0.00 C ATOM 600 CD2 LEU A 40 76.370 -0.509 -2.944 1.00 0.00 C ATOM 0 H LEU A 40 78.561 -3.342 0.475 1.00 0.00 H new ATOM 0 HA LEU A 40 76.831 -2.891 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.682 -0.800 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 40 79.269 -1.247 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 40 78.326 0.371 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 40 78.286 -0.906 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 79.596 -1.458 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.106 -2.419 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 40 76.172 -0.019 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 40 75.924 -1.503 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 75.936 0.080 -2.136 1.00 0.00 H new ATOM 612 N GLY A 41 78.425 -4.398 -3.114 1.00 0.00 N ATOM 613 CA GLY A 41 79.360 -5.261 -3.823 1.00 0.00 C ATOM 614 C GLY A 41 79.825 -6.376 -2.895 1.00 0.00 C ATOM 615 O GLY A 41 80.855 -7.009 -3.127 1.00 0.00 O ATOM 0 H GLY A 41 77.467 -4.423 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.882 -5.684 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.215 -4.681 -4.170 1.00 0.00 H new ATOM 619 N GLY A 42 79.050 -6.601 -1.834 1.00 0.00 N ATOM 620 CA GLY A 42 79.372 -7.633 -0.853 1.00 0.00 C ATOM 621 C GLY A 42 80.323 -7.095 0.214 1.00 0.00 C ATOM 622 O GLY A 42 80.768 -7.838 1.090 1.00 0.00 O ATOM 0 H GLY A 42 78.195 -6.082 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.456 -7.991 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.828 -8.487 -1.354 1.00 0.00 H new ATOM 626 N VAL A 43 80.630 -5.797 0.139 1.00 0.00 N ATOM 627 CA VAL A 43 81.532 -5.162 1.107 1.00 0.00 C ATOM 628 C VAL A 43 80.754 -4.181 2.006 1.00 0.00 C ATOM 629 O VAL A 43 80.037 -3.323 1.489 1.00 0.00 O ATOM 630 CB VAL A 43 82.625 -4.389 0.361 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.711 -3.966 1.350 1.00 0.00 C ATOM 632 CG2 VAL A 43 83.243 -5.287 -0.714 1.00 0.00 C ATOM 0 H VAL A 43 80.270 -5.167 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 43 81.978 -5.940 1.726 1.00 0.00 H new ATOM 0 HB VAL A 43 82.190 -3.506 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.490 -3.416 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.275 -3.329 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.144 -4.851 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 43 84.020 -4.737 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 43 83.678 -6.169 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.471 -5.595 -1.419 1.00 0.00 H new ATOM 642 N PRO A 44 80.865 -4.269 3.322 1.00 0.00 N ATOM 643 CA PRO A 44 80.130 -3.332 4.222 1.00 0.00 C ATOM 644 C PRO A 44 80.492 -1.874 3.922 1.00 0.00 C ATOM 645 O PRO A 44 81.634 -1.566 3.581 1.00 0.00 O ATOM 646 CB PRO A 44 80.554 -3.722 5.660 1.00 0.00 C ATOM 647 CG PRO A 44 81.504 -4.892 5.554 1.00 0.00 C ATOM 648 CD PRO A 44 81.671 -5.254 4.068 1.00 0.00 C ATOM 0 HA PRO A 44 79.052 -3.410 4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.036 -2.881 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.682 -3.989 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.469 -4.637 5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.117 -5.746 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.718 -5.209 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.327 -6.270 3.872 1.00 0.00 H new ATOM 656 N LEU A 45 79.510 -0.980 4.060 1.00 0.00 N ATOM 657 CA LEU A 45 79.728 0.450 3.810 1.00 0.00 C ATOM 658 C LEU A 45 79.197 1.282 4.970 1.00 0.00 C ATOM 659 O LEU A 45 78.231 0.901 5.632 1.00 0.00 O ATOM 660 CB LEU A 45 79.040 0.893 2.511 1.00 0.00 C ATOM 661 CG LEU A 45 77.544 0.527 2.533 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.832 1.238 1.370 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.354 -1.007 2.418 1.00 0.00 C ATOM 0 H LEU A 45 78.559 -1.218 4.342 1.00 0.00 H new ATOM 0 HA LEU A 45 80.802 0.608 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.154 1.969 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.523 0.417 1.658 1.00 0.00 H new ATOM 0 HG LEU A 45 77.112 0.852 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.773 0.982 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 45 76.946 2.317 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.272 0.920 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.290 -1.244 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.789 -1.358 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.849 -1.499 3.255 1.00 0.00 H new ATOM 675 N GLN A 46 79.833 2.428 5.200 1.00 0.00 N ATOM 676 CA GLN A 46 79.429 3.336 6.275 1.00 0.00 C ATOM 677 C GLN A 46 79.238 4.742 5.714 1.00 0.00 C ATOM 678 O GLN A 46 79.641 5.029 4.587 1.00 0.00 O ATOM 679 CB GLN A 46 80.490 3.354 7.380 1.00 0.00 C ATOM 680 CG GLN A 46 81.885 3.491 6.764 1.00 0.00 C ATOM 681 CD GLN A 46 82.944 3.441 7.860 1.00 0.00 C ATOM 682 OE1 GLN A 46 82.691 3.863 8.989 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.121 2.944 7.596 1.00 0.00 N ATOM 0 H GLN A 46 80.632 2.752 4.656 1.00 0.00 H new ATOM 0 HA GLN A 46 78.488 2.987 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 46 80.302 4.183 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 46 80.431 2.438 7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.055 2.689 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.960 4.431 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 46 84.329 2.595 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 46 84.833 2.905 8.325 1.00 0.00 H new ATOM 692 N ALA A 47 78.605 5.609 6.494 1.00 0.00 N ATOM 693 CA ALA A 47 78.347 6.973 6.048 1.00 0.00 C ATOM 694 C ALA A 47 79.626 7.651 5.562 1.00 0.00 C ATOM 695 O ALA A 47 80.701 7.467 6.135 1.00 0.00 O ATOM 696 CB ALA A 47 77.739 7.786 7.192 1.00 0.00 C ATOM 0 H ALA A 47 78.263 5.395 7.431 1.00 0.00 H new ATOM 0 HA ALA A 47 77.647 6.928 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.548 8.804 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 47 76.802 7.327 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.433 7.807 8.032 1.00 0.00 H new ATOM 702 N ASN A 48 79.489 8.439 4.500 1.00 0.00 N ATOM 703 CA ASN A 48 80.619 9.160 3.921 1.00 0.00 C ATOM 704 C ASN A 48 80.106 10.272 3.010 1.00 0.00 C ATOM 705 O ASN A 48 78.910 10.557 2.981 1.00 0.00 O ATOM 706 CB ASN A 48 81.510 8.206 3.122 1.00 0.00 C ATOM 707 CG ASN A 48 80.747 7.655 1.926 1.00 0.00 C ATOM 708 OD1 ASN A 48 79.518 7.623 1.933 1.00 0.00 O ATOM 709 ND2 ASN A 48 81.409 7.222 0.888 1.00 0.00 N ATOM 0 H ASN A 48 78.602 8.595 4.021 1.00 0.00 H new ATOM 0 HA ASN A 48 81.209 9.594 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 82.404 8.729 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.843 7.387 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 48 80.907 6.856 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.429 7.250 0.885 1.00 0.00 H new ATOM 716 N GLU A 49 81.011 10.907 2.274 1.00 0.00 N ATOM 717 CA GLU A 49 80.616 11.990 1.380 1.00 0.00 C ATOM 718 C GLU A 49 79.716 11.477 0.255 1.00 0.00 C ATOM 719 O GLU A 49 78.685 12.079 -0.046 1.00 0.00 O ATOM 720 CB GLU A 49 81.861 12.647 0.780 1.00 0.00 C ATOM 721 CG GLU A 49 82.629 13.382 1.880 1.00 0.00 C ATOM 722 CD GLU A 49 83.916 13.977 1.316 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.638 14.603 2.075 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.161 13.799 0.133 1.00 0.00 O1- ATOM 0 H GLU A 49 82.009 10.695 2.277 1.00 0.00 H new ATOM 0 HA GLU A 49 80.056 12.722 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.498 11.892 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.574 13.345 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.008 14.173 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.863 12.694 2.692 1.00 0.00 H new ATOM 731 N MET A 50 80.114 10.372 -0.370 1.00 0.00 N ATOM 732 CA MET A 50 79.333 9.804 -1.467 1.00 0.00 C ATOM 733 C MET A 50 77.993 9.245 -0.981 1.00 0.00 C ATOM 734 O MET A 50 76.963 9.433 -1.633 1.00 0.00 O ATOM 735 CB MET A 50 80.128 8.684 -2.145 1.00 0.00 C ATOM 736 CG MET A 50 81.335 9.273 -2.879 1.00 0.00 C ATOM 737 SD MET A 50 82.307 7.926 -3.597 1.00 0.00 S ATOM 738 CE MET A 50 83.755 8.905 -4.065 1.00 0.00 C ATOM 0 H MET A 50 80.963 9.856 -0.140 1.00 0.00 H new ATOM 0 HA MET A 50 79.131 10.607 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.461 7.961 -1.401 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.490 8.147 -2.848 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.003 9.955 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.948 9.853 -2.189 1.00 0.00 H new ATOM 0 HE1 MET A 50 84.495 8.258 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A 50 83.456 9.684 -4.766 1.00 0.00 H new ATOM 0 HE3 MET A 50 84.187 9.364 -3.176 1.00 0.00 H new ATOM 748 N ASN A 51 78.012 8.540 0.155 1.00 0.00 N ATOM 749 CA ASN A 51 76.790 7.934 0.712 1.00 0.00 C ATOM 750 C ASN A 51 76.462 8.504 2.090 1.00 0.00 C ATOM 751 O ASN A 51 77.357 8.800 2.877 1.00 0.00 O ATOM 752 CB ASN A 51 76.978 6.422 0.855 1.00 0.00 C ATOM 753 CG ASN A 51 77.545 5.830 -0.427 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.332 6.371 -1.512 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.257 4.739 -0.366 1.00 0.00 N ATOM 0 H ASN A 51 78.853 8.373 0.707 1.00 0.00 H new ATOM 0 HA ASN A 51 75.973 8.159 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.649 6.211 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.023 5.952 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.639 4.331 -1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.431 4.294 0.535 1.00 0.00 H new ATOM 762 N ASP A 52 75.167 8.626 2.386 1.00 0.00 N ATOM 763 CA ASP A 52 74.725 9.132 3.690 1.00 0.00 C ATOM 764 C ASP A 52 73.540 8.316 4.194 1.00 0.00 C ATOM 765 O ASP A 52 72.439 8.411 3.656 1.00 0.00 O ATOM 766 CB ASP A 52 74.324 10.601 3.577 1.00 0.00 C ATOM 767 CG ASP A 52 75.564 11.460 3.368 1.00 0.00 C ATOM 768 OD1 ASP A 52 76.653 10.956 3.588 1.00 0.00 O ATOM 769 OD2 ASP A 52 75.406 12.609 2.991 1.00 0.00 O1- ATOM 0 H ASP A 52 74.410 8.384 1.747 1.00 0.00 H new ATOM 0 HA ASP A 52 75.550 9.041 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.633 10.736 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.801 10.915 4.480 1.00 0.00 H new ATOM 774 N ILE A 53 73.771 7.505 5.226 1.00 0.00 N ATOM 775 CA ILE A 53 72.709 6.664 5.787 1.00 0.00 C ATOM 776 C ILE A 53 72.154 7.287 7.067 1.00 0.00 C ATOM 777 O ILE A 53 72.912 7.742 7.922 1.00 0.00 O ATOM 778 CB ILE A 53 73.259 5.248 6.055 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.107 5.206 7.338 1.00 0.00 C ATOM 780 CG2 ILE A 53 74.136 4.812 4.869 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.659 3.789 7.518 1.00 0.00 C ATOM 0 H ILE A 53 74.675 7.411 5.689 1.00 0.00 H new ATOM 0 HA ILE A 53 71.891 6.592 5.070 1.00 0.00 H new ATOM 0 HB ILE A 53 72.411 4.575 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 53 74.924 5.924 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 53 73.502 5.488 8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 53 74.527 3.812 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 53 73.538 4.805 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 53 74.965 5.510 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.262 3.746 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.832 3.084 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 53 75.276 3.527 6.659 1.00 0.00 H new ATOM 793 N THR A 54 70.823 7.314 7.191 1.00 0.00 N ATOM 794 CA THR A 54 70.180 7.898 8.379 1.00 0.00 C ATOM 795 C THR A 54 68.993 7.052 8.836 1.00 0.00 C ATOM 796 O THR A 54 68.399 6.318 8.046 1.00 0.00 O ATOM 797 CB THR A 54 69.698 9.319 8.070 1.00 0.00 C ATOM 798 OG1 THR A 54 68.984 9.825 9.192 1.00 0.00 O ATOM 799 CG2 THR A 54 68.779 9.295 6.846 1.00 0.00 C ATOM 0 H THR A 54 70.175 6.944 6.495 1.00 0.00 H new ATOM 0 HA THR A 54 70.919 7.924 9.180 1.00 0.00 H new ATOM 0 HB THR A 54 70.556 9.959 7.862 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.037 9.925 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.437 10.307 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.326 8.904 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 54 67.919 8.657 7.049 1.00 0.00 H new ATOM 807 N VAL A 55 68.659 7.163 10.126 1.00 0.00 N ATOM 808 CA VAL A 55 67.546 6.405 10.709 1.00 0.00 C ATOM 809 C VAL A 55 66.483 7.341 11.286 1.00 0.00 C ATOM 810 O VAL A 55 66.791 8.236 12.074 1.00 0.00 O ATOM 811 CB VAL A 55 68.077 5.493 11.817 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.064 4.491 11.214 1.00 0.00 C ATOM 813 CG2 VAL A 55 68.792 6.333 12.885 1.00 0.00 C ATOM 0 H VAL A 55 69.143 7.771 10.787 1.00 0.00 H new ATOM 0 HA VAL A 55 67.086 5.809 9.921 1.00 0.00 H new ATOM 0 HB VAL A 55 67.245 4.961 12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 55 69.446 3.839 11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 55 68.557 3.891 10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 55 69.893 5.029 10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.168 5.678 13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 55 69.625 6.868 12.429 1.00 0.00 H new ATOM 0 HG23 VAL A 55 68.091 7.050 13.314 1.00 0.00 H new ATOM 823 N GLU A 56 65.225 7.114 10.900 1.00 0.00 N ATOM 824 CA GLU A 56 64.104 7.925 11.389 1.00 0.00 C ATOM 825 C GLU A 56 63.040 7.032 12.023 1.00 0.00 C ATOM 826 O GLU A 56 63.186 5.810 12.071 1.00 0.00 O ATOM 827 CB GLU A 56 63.472 8.725 10.240 1.00 0.00 C ATOM 828 CG GLU A 56 64.418 9.845 9.772 1.00 0.00 C ATOM 829 CD GLU A 56 65.465 9.293 8.809 1.00 0.00 C ATOM 830 OE1 GLU A 56 66.231 10.085 8.283 1.00 0.00 O ATOM 831 OE2 GLU A 56 65.485 8.092 8.609 1.00 0.00 O1- ATOM 0 H GLU A 56 64.956 6.375 10.250 1.00 0.00 H new ATOM 0 HA GLU A 56 64.491 8.617 12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.249 8.059 9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.525 9.155 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.845 10.632 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.910 10.297 10.633 1.00 0.00 H new ATOM 838 N GLN A 57 61.976 7.656 12.513 1.00 0.00 N ATOM 839 CA GLN A 57 60.889 6.925 13.156 1.00 0.00 C ATOM 840 C GLN A 57 60.435 5.745 12.300 1.00 0.00 C ATOM 841 O GLN A 57 60.466 5.806 11.071 1.00 0.00 O ATOM 842 CB GLN A 57 59.704 7.869 13.370 1.00 0.00 C ATOM 843 CG GLN A 57 58.692 7.237 14.331 1.00 0.00 C ATOM 844 CD GLN A 57 59.287 7.138 15.732 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.999 8.041 16.170 1.00 0.00 O ATOM 846 NE2 GLN A 57 59.033 6.089 16.465 1.00 0.00 N ATOM 0 H GLN A 57 61.842 8.667 12.478 1.00 0.00 H new ATOM 0 HA GLN A 57 61.251 6.543 14.110 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.055 8.819 13.773 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.224 8.085 12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 57 57.781 7.835 14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 57 58.412 6.245 13.976 1.00 0.00 H new ATOM 0 HE21 GLN A 57 58.442 5.342 16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 57 59.425 6.016 17.404 1.00 0.00 H new ATOM 855 N GLY A 58 60.000 4.677 12.963 1.00 0.00 N ATOM 856 CA GLY A 58 59.522 3.492 12.260 1.00 0.00 C ATOM 857 C GLY A 58 60.676 2.692 11.661 1.00 0.00 C ATOM 858 O GLY A 58 60.464 1.820 10.820 1.00 0.00 O ATOM 0 H GLY A 58 59.969 4.608 13.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.960 2.861 12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.835 3.790 11.468 1.00 0.00 H new ATOM 862 N THR A 59 61.895 2.986 12.100 1.00 0.00 N ATOM 863 CA THR A 59 63.062 2.275 11.592 1.00 0.00 C ATOM 864 C THR A 59 63.211 2.508 10.089 1.00 0.00 C ATOM 865 O THR A 59 63.573 1.596 9.336 1.00 0.00 O ATOM 866 CB THR A 59 62.918 0.776 11.891 1.00 0.00 C ATOM 867 OG1 THR A 59 62.322 0.615 13.169 1.00 0.00 O ATOM 868 CG2 THR A 59 64.289 0.082 11.879 1.00 0.00 C ATOM 0 H THR A 59 62.099 3.702 12.797 1.00 0.00 H new ATOM 0 HA THR A 59 63.957 2.653 12.087 1.00 0.00 H new ATOM 0 HB THR A 59 62.294 0.322 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.225 -0.340 13.367 1.00 0.00 H new ATOM 0 HG21 THR A 59 64.162 -0.979 12.093 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.749 0.201 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.931 0.531 12.637 1.00 0.00 H new ATOM 876 N LEU A 60 62.920 3.739 9.662 1.00 0.00 N ATOM 877 CA LEU A 60 63.022 4.102 8.253 1.00 0.00 C ATOM 878 C LEU A 60 64.462 4.465 7.899 1.00 0.00 C ATOM 879 O LEU A 60 65.086 5.285 8.571 1.00 0.00 O ATOM 880 CB LEU A 60 62.105 5.294 7.954 1.00 0.00 C ATOM 881 CG LEU A 60 60.631 4.845 7.953 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.719 6.072 8.071 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.297 4.103 6.644 1.00 0.00 C ATOM 0 H LEU A 60 62.613 4.497 10.272 1.00 0.00 H new ATOM 0 HA LEU A 60 62.715 3.247 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.255 6.074 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.362 5.726 6.987 1.00 0.00 H new ATOM 0 HG LEU A 60 60.472 4.176 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.677 5.752 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 60 59.936 6.599 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.895 6.739 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.252 3.792 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.466 4.767 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.936 3.225 6.551 1.00 0.00 H new ATOM 895 N HIS A 61 64.975 3.861 6.829 1.00 0.00 N ATOM 896 CA HIS A 61 66.338 4.128 6.366 1.00 0.00 C ATOM 897 C HIS A 61 66.286 4.927 5.070 1.00 0.00 C ATOM 898 O HIS A 61 65.299 4.867 4.337 1.00 0.00 O ATOM 899 CB HIS A 61 67.081 2.809 6.141 1.00 0.00 C ATOM 900 CG HIS A 61 67.289 2.118 7.465 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.838 0.850 7.560 1.00 0.00 N ATOM 902 CD2 HIS A 61 67.023 2.507 8.755 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.883 0.524 8.864 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.398 1.499 9.637 1.00 0.00 N ATOM 0 H HIS A 61 64.467 3.181 6.264 1.00 0.00 H new ATOM 0 HA HIS A 61 66.870 4.705 7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.510 2.168 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.042 2.997 5.662 1.00 0.00 H new ATOM 0 HD2 HIS A 61 66.588 3.453 9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.265 -0.413 9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.320 1.504 10.654 1.00 0.00 H new ATOM 912 N LEU A 62 67.335 5.701 4.803 1.00 0.00 N ATOM 913 CA LEU A 62 67.364 6.532 3.602 1.00 0.00 C ATOM 914 C LEU A 62 68.796 6.828 3.170 1.00 0.00 C ATOM 915 O LEU A 62 69.548 7.489 3.888 1.00 0.00 O ATOM 916 CB LEU A 62 66.636 7.850 3.894 1.00 0.00 C ATOM 917 CG LEU A 62 66.429 8.660 2.596 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.153 8.201 1.882 1.00 0.00 C ATOM 919 CD2 LEU A 62 66.306 10.150 2.938 1.00 0.00 C ATOM 0 H LEU A 62 68.165 5.770 5.392 1.00 0.00 H new ATOM 0 HA LEU A 62 66.870 5.994 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.671 7.643 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.212 8.439 4.608 1.00 0.00 H new ATOM 0 HG LEU A 62 67.284 8.498 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.019 8.780 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.236 7.143 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.295 8.353 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.160 10.723 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.454 10.302 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 62 67.216 10.486 3.434 1.00 0.00 H new ATOM 931 N LEU A 63 69.162 6.351 1.977 1.00 0.00 N ATOM 932 CA LEU A 63 70.492 6.586 1.431 1.00 0.00 C ATOM 933 C LEU A 63 70.443 7.763 0.471 1.00 0.00 C ATOM 934 O LEU A 63 69.710 7.726 -0.517 1.00 0.00 O ATOM 935 CB LEU A 63 70.975 5.330 0.689 1.00 0.00 C ATOM 936 CG LEU A 63 71.531 4.311 1.686 1.00 0.00 C ATOM 937 CD1 LEU A 63 70.541 4.103 2.836 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.756 2.981 0.970 1.00 0.00 C ATOM 0 H LEU A 63 68.552 5.800 1.374 1.00 0.00 H new ATOM 0 HA LEU A 63 71.184 6.810 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.150 4.889 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.744 5.599 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 63 72.473 4.683 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.947 3.376 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.375 5.050 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 63 69.595 3.735 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.152 2.251 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 63 70.810 2.620 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.467 3.122 0.156 1.00 0.00 H new ATOM 950 N THR A 64 71.224 8.802 0.750 1.00 0.00 N ATOM 951 CA THR A 64 71.258 9.976 -0.120 1.00 0.00 C ATOM 952 C THR A 64 72.579 10.017 -0.873 1.00 0.00 C ATOM 953 O THR A 64 73.634 10.306 -0.304 1.00 0.00 O ATOM 954 CB THR A 64 71.071 11.256 0.709 1.00 0.00 C ATOM 955 OG1 THR A 64 69.742 11.299 1.209 1.00 0.00 O ATOM 956 CG2 THR A 64 71.322 12.488 -0.167 1.00 0.00 C ATOM 0 H THR A 64 71.837 8.857 1.563 1.00 0.00 H new ATOM 0 HA THR A 64 70.443 9.912 -0.841 1.00 0.00 H new ATOM 0 HB THR A 64 71.780 11.255 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.618 12.113 1.740 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.187 13.391 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.340 12.457 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.617 12.493 -0.998 1.00 0.00 H new ATOM 964 N LEU A 65 72.496 9.713 -2.163 1.00 0.00 N ATOM 965 CA LEU A 65 73.668 9.701 -3.043 1.00 0.00 C ATOM 966 C LEU A 65 73.823 11.063 -3.721 1.00 0.00 C ATOM 967 O LEU A 65 72.863 11.610 -4.272 1.00 0.00 O ATOM 968 CB LEU A 65 73.510 8.600 -4.110 1.00 0.00 C ATOM 969 CG LEU A 65 73.858 7.197 -3.552 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.378 6.977 -3.562 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.321 7.023 -2.120 1.00 0.00 C ATOM 0 H LEU A 65 71.623 9.469 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 65 74.558 9.496 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.485 8.599 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 65 74.156 8.823 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 65 73.383 6.456 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 65 75.605 5.987 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.750 7.054 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.859 7.734 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.579 6.030 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 73.766 7.777 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 65 72.237 7.139 -2.121 1.00 0.00 H new ATOM 983 N HIS A 66 75.039 11.604 -3.658 1.00 0.00 N ATOM 984 CA HIS A 66 75.341 12.914 -4.241 1.00 0.00 C ATOM 985 C HIS A 66 75.638 12.804 -5.738 1.00 0.00 C ATOM 986 O HIS A 66 75.125 11.920 -6.420 1.00 0.00 O ATOM 987 CB HIS A 66 76.555 13.518 -3.514 1.00 0.00 C ATOM 988 CG HIS A 66 76.554 15.019 -3.644 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.885 15.678 -4.662 1.00 0.00 N ATOM 990 CD2 HIS A 66 77.144 16.001 -2.886 1.00 0.00 C ATOM 991 CE1 HIS A 66 76.087 16.998 -4.493 1.00 0.00 C ATOM 992 NE2 HIS A 66 76.845 17.249 -3.424 1.00 0.00 N ATOM 0 H HIS A 66 75.836 11.154 -3.207 1.00 0.00 H new ATOM 0 HA HIS A 66 74.469 13.557 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.532 13.238 -2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 66 77.476 13.111 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 66 77.748 15.831 -2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 66 75.685 17.761 -5.143 1.00 0.00 H new ATOM 0 HE2 HIS A 66 77.142 18.161 -3.076 1.00 0.00 H new ATOM 1000 N LYS A 67 76.469 13.718 -6.241 1.00 0.00 N ATOM 1001 CA LYS A 67 76.825 13.715 -7.658 1.00 0.00 C ATOM 1002 C LYS A 67 77.510 12.403 -8.030 1.00 0.00 C ATOM 1003 O LYS A 67 78.715 12.238 -7.847 1.00 0.00 O ATOM 1004 CB LYS A 67 77.734 14.913 -8.004 1.00 0.00 C ATOM 1005 CG LYS A 67 78.822 15.105 -6.935 1.00 0.00 C ATOM 1006 CD LYS A 67 79.715 16.304 -7.307 1.00 0.00 C ATOM 1007 CE LYS A 67 78.957 17.624 -7.099 1.00 0.00 C ATOM 1008 NZ LYS A 67 79.930 18.749 -7.000 1.00 0.00 N1+ ATOM 0 H LYS A 67 76.903 14.462 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 67 75.907 13.809 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.199 14.752 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 67 77.133 15.819 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 67 78.362 15.271 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 67 79.426 14.202 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 80.618 16.296 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 67 80.033 16.220 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 67 78.271 17.795 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 67 78.354 17.570 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 79.415 19.642 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 80.568 18.586 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 80.487 18.805 -7.877 1.00 0.00 H new ATOM 1022 N VAL A 68 76.724 11.463 -8.554 1.00 0.00 N ATOM 1023 CA VAL A 68 77.252 10.155 -8.951 1.00 0.00 C ATOM 1024 C VAL A 68 77.560 10.122 -10.444 1.00 0.00 C ATOM 1025 O VAL A 68 76.761 10.561 -11.272 1.00 0.00 O ATOM 1026 CB VAL A 68 76.251 9.047 -8.608 1.00 0.00 C ATOM 1027 CG1 VAL A 68 76.224 8.832 -7.094 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.854 9.444 -9.089 1.00 0.00 C ATOM 0 H VAL A 68 75.723 11.580 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 68 78.177 9.987 -8.399 1.00 0.00 H new ATOM 0 HB VAL A 68 76.555 8.125 -9.103 1.00 0.00 H new ATOM 0 HG11 VAL A 68 75.512 8.044 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 68 77.217 8.543 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.924 9.757 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.146 8.653 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.550 10.369 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.870 9.594 -10.169 1.00 0.00 H new ATOM 1038 N THR A 69 78.732 9.597 -10.772 1.00 0.00 N ATOM 1039 CA THR A 69 79.173 9.493 -12.159 1.00 0.00 C ATOM 1040 C THR A 69 78.691 8.180 -12.768 1.00 0.00 C ATOM 1041 O THR A 69 77.685 7.619 -12.337 1.00 0.00 O ATOM 1042 CB THR A 69 80.702 9.549 -12.211 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.234 8.340 -11.685 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.201 10.733 -11.378 1.00 0.00 C ATOM 0 H THR A 69 79.400 9.234 -10.092 1.00 0.00 H new ATOM 0 HA THR A 69 78.754 10.322 -12.729 1.00 0.00 H new ATOM 0 HB THR A 69 81.027 9.673 -13.244 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.213 8.372 -11.718 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.290 10.771 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.791 11.659 -11.780 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.878 10.612 -10.344 1.00 0.00 H new ATOM 1052 N LEU A 70 79.424 7.682 -13.758 1.00 0.00 N ATOM 1053 CA LEU A 70 79.062 6.422 -14.394 1.00 0.00 C ATOM 1054 C LEU A 70 79.120 5.320 -13.343 1.00 0.00 C ATOM 1055 O LEU A 70 78.478 4.277 -13.471 1.00 0.00 O ATOM 1056 CB LEU A 70 80.036 6.082 -15.539 1.00 0.00 C ATOM 1057 CG LEU A 70 79.766 6.966 -16.783 1.00 0.00 C ATOM 1058 CD1 LEU A 70 80.575 8.263 -16.692 1.00 0.00 C ATOM 1059 CD2 LEU A 70 80.189 6.215 -18.050 1.00 0.00 C ATOM 0 H LEU A 70 80.262 8.126 -14.133 1.00 0.00 H new ATOM 0 HA LEU A 70 78.059 6.508 -14.812 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.063 6.227 -15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.934 5.030 -15.807 1.00 0.00 H new ATOM 0 HG LEU A 70 78.702 7.198 -16.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 80.378 8.877 -17.571 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.286 8.810 -15.795 1.00 0.00 H new ATOM 0 HD13 LEU A 70 81.638 8.026 -16.645 1.00 0.00 H new ATOM 0 HD21 LEU A 70 79.998 6.839 -18.923 1.00 0.00 H new ATOM 0 HD22 LEU A 70 81.252 5.981 -17.996 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.618 5.290 -18.133 1.00 0.00 H new ATOM 1071 N GLU A 71 79.905 5.574 -12.304 1.00 0.00 N ATOM 1072 CA GLU A 71 80.071 4.621 -11.218 1.00 0.00 C ATOM 1073 C GLU A 71 78.758 4.462 -10.452 1.00 0.00 C ATOM 1074 O GLU A 71 78.666 3.682 -9.505 1.00 0.00 O ATOM 1075 CB GLU A 71 81.177 5.108 -10.269 1.00 0.00 C ATOM 1076 CG GLU A 71 81.740 3.930 -9.469 1.00 0.00 C ATOM 1077 CD GLU A 71 82.594 3.051 -10.375 1.00 0.00 C ATOM 1078 OE1 GLU A 71 82.858 3.467 -11.492 1.00 0.00 O ATOM 1079 OE2 GLU A 71 82.966 1.975 -9.944 1.00 0.00 O1- ATOM 0 H GLU A 71 80.438 6.436 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 71 80.353 3.653 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.974 5.584 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 71 80.778 5.862 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.338 4.298 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 71 80.925 3.345 -9.043 1.00 0.00 H new ATOM 1086 N ASP A 72 77.741 5.214 -10.864 1.00 0.00 N ATOM 1087 CA ASP A 72 76.447 5.150 -10.198 1.00 0.00 C ATOM 1088 C ASP A 72 75.946 3.712 -10.164 1.00 0.00 C ATOM 1089 O ASP A 72 75.464 3.239 -9.135 1.00 0.00 O ATOM 1090 CB ASP A 72 75.428 6.027 -10.927 1.00 0.00 C ATOM 1091 CG ASP A 72 74.124 6.076 -10.138 1.00 0.00 C ATOM 1092 OD1 ASP A 72 73.251 6.838 -10.522 1.00 0.00 O ATOM 1093 OD2 ASP A 72 74.018 5.354 -9.160 1.00 0.00 O1- ATOM 0 H ASP A 72 77.788 5.867 -11.646 1.00 0.00 H new ATOM 0 HA ASP A 72 76.567 5.516 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 75.826 7.034 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.244 5.631 -11.926 1.00 0.00 H new ATOM 1098 N ALA A 73 76.073 3.015 -11.290 1.00 0.00 N ATOM 1099 CA ALA A 73 75.634 1.628 -11.359 1.00 0.00 C ATOM 1100 C ALA A 73 76.315 0.816 -10.266 1.00 0.00 C ATOM 1101 O ALA A 73 77.534 0.870 -10.104 1.00 0.00 O ATOM 1102 CB ALA A 73 75.970 1.037 -12.731 1.00 0.00 C ATOM 0 H ALA A 73 76.471 3.383 -12.154 1.00 0.00 H new ATOM 0 HA ALA A 73 74.554 1.591 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.637 -0.000 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 73 75.465 1.611 -13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.047 1.079 -12.891 1.00 0.00 H new ATOM 1108 N GLY A 74 75.518 0.071 -9.515 1.00 0.00 N ATOM 1109 CA GLY A 74 76.050 -0.741 -8.432 1.00 0.00 C ATOM 1110 C GLY A 74 74.948 -1.578 -7.800 1.00 0.00 C ATOM 1111 O GLY A 74 73.806 -1.136 -7.686 1.00 0.00 O ATOM 0 H GLY A 74 74.507 0.012 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.837 -1.393 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.504 -0.099 -7.678 1.00 0.00 H new ATOM 1115 N THR A 75 75.298 -2.794 -7.398 1.00 0.00 N ATOM 1116 CA THR A 75 74.334 -3.702 -6.785 1.00 0.00 C ATOM 1117 C THR A 75 74.425 -3.645 -5.265 1.00 0.00 C ATOM 1118 O THR A 75 75.493 -3.855 -4.690 1.00 0.00 O ATOM 1119 CB THR A 75 74.614 -5.134 -7.255 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.383 -5.220 -8.655 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.693 -6.119 -6.528 1.00 0.00 C ATOM 0 H THR A 75 76.240 -3.174 -7.485 1.00 0.00 H new ATOM 0 HA THR A 75 73.332 -3.397 -7.086 1.00 0.00 H new ATOM 0 HB THR A 75 75.651 -5.387 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.562 -6.134 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.902 -7.133 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.868 -6.056 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.653 -5.871 -6.742 1.00 0.00 H new ATOM 1129 N VAL A 76 73.292 -3.385 -4.616 1.00 0.00 N ATOM 1130 CA VAL A 76 73.248 -3.336 -3.155 1.00 0.00 C ATOM 1131 C VAL A 76 72.654 -4.640 -2.634 1.00 0.00 C ATOM 1132 O VAL A 76 71.572 -5.041 -3.054 1.00 0.00 O ATOM 1133 CB VAL A 76 72.386 -2.153 -2.697 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.720 -1.792 -1.246 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.659 -0.951 -3.602 1.00 0.00 C ATOM 0 H VAL A 76 72.398 -3.206 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 76 74.257 -3.207 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 76 71.333 -2.428 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.103 -0.951 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.522 -2.650 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.772 -1.518 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.048 -0.107 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.713 -0.681 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.410 -1.207 -4.632 1.00 0.00 H new ATOM 1145 N SER A 77 73.365 -5.304 -1.727 1.00 0.00 N ATOM 1146 CA SER A 77 72.894 -6.576 -1.169 1.00 0.00 C ATOM 1147 C SER A 77 72.829 -6.500 0.346 1.00 0.00 C ATOM 1148 O SER A 77 73.697 -5.910 0.988 1.00 0.00 O ATOM 1149 CB SER A 77 73.842 -7.705 -1.579 1.00 0.00 C ATOM 1150 OG SER A 77 73.375 -8.932 -1.033 1.00 0.00 O ATOM 0 H SER A 77 74.264 -4.988 -1.362 1.00 0.00 H new ATOM 0 HA SER A 77 71.895 -6.776 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.895 -7.774 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.851 -7.496 -1.223 1.00 0.00 H new ATOM 0 HG SER A 77 73.979 -9.658 -1.295 1.00 0.00 H new ATOM 1156 N PHE A 78 71.790 -7.102 0.914 1.00 0.00 N ATOM 1157 CA PHE A 78 71.611 -7.104 2.363 1.00 0.00 C ATOM 1158 C PHE A 78 70.951 -8.400 2.804 1.00 0.00 C ATOM 1159 O PHE A 78 70.240 -9.041 2.029 1.00 0.00 O ATOM 1160 CB PHE A 78 70.750 -5.913 2.791 1.00 0.00 C ATOM 1161 CG PHE A 78 69.364 -6.038 2.200 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.373 -6.749 2.887 1.00 0.00 C ATOM 1163 CD2 PHE A 78 69.066 -5.428 0.973 1.00 0.00 C ATOM 1164 CE1 PHE A 78 67.085 -6.856 2.347 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.778 -5.536 0.434 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.787 -6.246 1.121 1.00 0.00 C ATOM 0 H PHE A 78 71.061 -7.593 0.397 1.00 0.00 H new ATOM 0 HA PHE A 78 72.590 -7.022 2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.688 -5.871 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.212 -4.982 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.602 -7.215 3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.829 -4.876 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.322 -7.408 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.549 -5.071 -0.513 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.793 -6.324 0.707 1.00 0.00 H new ATOM 1176 N HIS A 79 71.185 -8.785 4.054 1.00 0.00 N ATOM 1177 CA HIS A 79 70.598 -10.015 4.579 1.00 0.00 C ATOM 1178 C HIS A 79 70.377 -9.903 6.077 1.00 0.00 C ATOM 1179 O HIS A 79 71.117 -9.212 6.779 1.00 0.00 O ATOM 1180 CB HIS A 79 71.512 -11.209 4.285 1.00 0.00 C ATOM 1181 CG HIS A 79 72.867 -10.976 4.898 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.209 -11.477 6.145 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.978 -10.307 4.446 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.477 -11.105 6.398 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.994 -10.390 5.392 1.00 0.00 N ATOM 0 H HIS A 79 71.768 -8.272 4.715 1.00 0.00 H new ATOM 0 HA HIS A 79 69.637 -10.169 4.089 1.00 0.00 H new ATOM 0 HB2 HIS A 79 71.073 -12.122 4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 79 71.609 -11.348 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 79 74.052 -9.794 3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 79 75.012 -11.353 7.303 1.00 0.00 H new ATOM 0 HE2 HIS A 79 75.931 -9.992 5.332 1.00 0.00 H new ATOM 1193 N VAL A 80 69.348 -10.587 6.561 1.00 0.00 N ATOM 1194 CA VAL A 80 69.018 -10.569 7.979 1.00 0.00 C ATOM 1195 C VAL A 80 68.450 -11.923 8.403 1.00 0.00 C ATOM 1196 O VAL A 80 67.241 -12.139 8.380 1.00 0.00 O ATOM 1197 CB VAL A 80 68.013 -9.440 8.272 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.789 -9.542 7.345 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.563 -9.523 9.733 1.00 0.00 C ATOM 0 H VAL A 80 68.727 -11.162 5.991 1.00 0.00 H new ATOM 0 HA VAL A 80 69.925 -10.381 8.554 1.00 0.00 H new ATOM 0 HB VAL A 80 68.502 -8.483 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.093 -8.734 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.111 -9.464 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.294 -10.501 7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.852 -8.724 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.088 -10.487 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.429 -9.417 10.387 1.00 0.00 H new ATOM 1209 N GLY A 81 69.350 -12.827 8.789 1.00 0.00 N ATOM 1210 CA GLY A 81 68.970 -14.173 9.226 1.00 0.00 C ATOM 1211 C GLY A 81 67.703 -14.677 8.532 1.00 0.00 C ATOM 1212 O GLY A 81 67.770 -15.381 7.524 1.00 0.00 O ATOM 0 H GLY A 81 70.355 -12.651 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.790 -14.862 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 81 68.814 -14.171 10.305 1.00 0.00 H new ATOM 1216 N THR A 82 66.553 -14.324 9.098 1.00 0.00 N ATOM 1217 CA THR A 82 65.264 -14.749 8.556 1.00 0.00 C ATOM 1218 C THR A 82 65.247 -14.726 7.027 1.00 0.00 C ATOM 1219 O THR A 82 65.463 -15.751 6.382 1.00 0.00 O ATOM 1220 CB THR A 82 64.155 -13.835 9.082 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.525 -12.479 8.878 1.00 0.00 O ATOM 1222 CG2 THR A 82 63.941 -14.087 10.576 1.00 0.00 C ATOM 0 H THR A 82 66.486 -13.743 9.934 1.00 0.00 H new ATOM 0 HA THR A 82 65.098 -15.776 8.880 1.00 0.00 H new ATOM 0 HB THR A 82 63.229 -14.046 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 82 65.483 -12.428 8.678 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.151 -13.434 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.655 -15.127 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 82 64.865 -13.880 11.116 1.00 0.00 H new ATOM 1230 N CYS A 83 64.958 -13.555 6.452 1.00 0.00 N ATOM 1231 CA CYS A 83 64.877 -13.412 4.994 1.00 0.00 C ATOM 1232 C CYS A 83 66.091 -12.679 4.426 1.00 0.00 C ATOM 1233 O CYS A 83 66.878 -12.089 5.164 1.00 0.00 O ATOM 1234 CB CYS A 83 63.608 -12.640 4.632 1.00 0.00 C ATOM 1235 SG CYS A 83 63.353 -12.702 2.842 1.00 0.00 S ATOM 0 H CYS A 83 64.777 -12.695 6.970 1.00 0.00 H new ATOM 0 HA CYS A 83 64.855 -14.412 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 83 62.749 -13.070 5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.693 -11.605 4.962 1.00 0.00 H new ATOM 0 HG CYS A 83 62.273 -12.047 2.535 1.00 0.00 H new ATOM 1241 N SER A 84 66.225 -12.730 3.099 1.00 0.00 N ATOM 1242 CA SER A 84 67.337 -12.076 2.409 1.00 0.00 C ATOM 1243 C SER A 84 66.917 -11.667 0.997 1.00 0.00 C ATOM 1244 O SER A 84 66.129 -12.360 0.353 1.00 0.00 O ATOM 1245 CB SER A 84 68.531 -13.028 2.329 1.00 0.00 C ATOM 1246 OG SER A 84 69.623 -12.358 1.714 1.00 0.00 O ATOM 0 H SER A 84 65.576 -13.218 2.481 1.00 0.00 H new ATOM 0 HA SER A 84 67.619 -11.185 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.811 -13.364 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.265 -13.917 1.756 1.00 0.00 H new ATOM 0 HG SER A 84 70.391 -12.964 1.662 1.00 0.00 H new ATOM 1252 N SER A 85 67.446 -10.542 0.518 1.00 0.00 N ATOM 1253 CA SER A 85 67.110 -10.063 -0.823 1.00 0.00 C ATOM 1254 C SER A 85 68.183 -9.119 -1.355 1.00 0.00 C ATOM 1255 O SER A 85 69.105 -8.736 -0.636 1.00 0.00 O ATOM 1256 CB SER A 85 65.766 -9.335 -0.799 1.00 0.00 C ATOM 1257 OG SER A 85 65.466 -8.859 -2.105 1.00 0.00 O ATOM 0 H SER A 85 68.101 -9.951 1.030 1.00 0.00 H new ATOM 0 HA SER A 85 67.049 -10.930 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.981 -10.008 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.803 -8.503 -0.096 1.00 0.00 H new ATOM 0 HG SER A 85 64.604 -8.393 -2.093 1.00 0.00 H new ATOM 1263 N GLU A 86 68.052 -8.757 -2.631 1.00 0.00 N ATOM 1264 CA GLU A 86 69.006 -7.858 -3.283 1.00 0.00 C ATOM 1265 C GLU A 86 68.288 -6.944 -4.274 1.00 0.00 C ATOM 1266 O GLU A 86 67.154 -7.209 -4.672 1.00 0.00 O ATOM 1267 CB GLU A 86 70.074 -8.679 -4.013 1.00 0.00 C ATOM 1268 CG GLU A 86 69.411 -9.563 -5.068 1.00 0.00 C ATOM 1269 CD GLU A 86 70.450 -10.486 -5.695 1.00 0.00 C ATOM 1270 OE1 GLU A 86 71.256 -11.025 -4.955 1.00 0.00 O ATOM 1271 OE2 GLU A 86 70.426 -10.640 -6.904 1.00 0.00 O1- ATOM 0 H GLU A 86 67.293 -9.073 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 86 69.482 -7.240 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.798 -8.015 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.623 -9.295 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.615 -10.152 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.950 -8.944 -5.837 1.00 0.00 H new ATOM 1278 N ALA A 87 68.960 -5.860 -4.663 1.00 0.00 N ATOM 1279 CA ALA A 87 68.396 -4.892 -5.608 1.00 0.00 C ATOM 1280 C ALA A 87 69.429 -4.534 -6.669 1.00 0.00 C ATOM 1281 O ALA A 87 70.629 -4.679 -6.448 1.00 0.00 O ATOM 1282 CB ALA A 87 67.970 -3.625 -4.863 1.00 0.00 C ATOM 0 H ALA A 87 69.899 -5.629 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 87 67.526 -5.338 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.552 -2.910 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.218 -3.878 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.837 -3.184 -4.371 1.00 0.00 H new ATOM 1288 N GLN A 88 68.958 -4.080 -7.830 1.00 0.00 N ATOM 1289 CA GLN A 88 69.850 -3.717 -8.937 1.00 0.00 C ATOM 1290 C GLN A 88 69.710 -2.243 -9.303 1.00 0.00 C ATOM 1291 O GLN A 88 68.599 -1.721 -9.406 1.00 0.00 O ATOM 1292 CB GLN A 88 69.505 -4.572 -10.158 1.00 0.00 C ATOM 1293 CG GLN A 88 69.811 -6.042 -9.862 1.00 0.00 C ATOM 1294 CD GLN A 88 71.316 -6.250 -9.724 1.00 0.00 C ATOM 1295 OE1 GLN A 88 71.794 -6.836 -8.660 1.00 0.00 O flip ATOM 1296 NE2 GLN A 88 72.078 -5.864 -10.610 1.00 0.00 N flip ATOM 0 H GLN A 88 67.966 -3.954 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 88 70.878 -3.895 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.451 -4.454 -10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.079 -4.238 -11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 88 69.309 -6.348 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.422 -6.670 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.704 -5.406 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 73.084 -6.002 -10.513 1.00 0.00 H new ATOM 1305 N LEU A 89 70.848 -1.577 -9.516 1.00 0.00 N ATOM 1306 CA LEU A 89 70.855 -0.161 -9.897 1.00 0.00 C ATOM 1307 C LEU A 89 71.436 -0.027 -11.303 1.00 0.00 C ATOM 1308 O LEU A 89 72.634 -0.222 -11.514 1.00 0.00 O ATOM 1309 CB LEU A 89 71.707 0.643 -8.900 1.00 0.00 C ATOM 1310 CG LEU A 89 71.330 2.134 -8.940 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.241 2.911 -7.982 1.00 0.00 C ATOM 1312 CD2 LEU A 89 71.495 2.695 -10.360 1.00 0.00 C ATOM 0 H LEU A 89 71.775 -1.994 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 89 69.837 0.228 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.561 0.253 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.764 0.524 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 89 70.288 2.241 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 89 71.978 3.968 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 72.114 2.529 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.280 2.789 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.224 3.751 -10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.532 2.585 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 89 70.846 2.149 -11.045 1.00 0.00 H new ATOM 1324 N LYS A 90 70.575 0.310 -12.260 1.00 0.00 N ATOM 1325 CA LYS A 90 70.990 0.477 -13.653 1.00 0.00 C ATOM 1326 C LYS A 90 71.033 1.957 -14.010 1.00 0.00 C ATOM 1327 O LYS A 90 70.435 2.785 -13.324 1.00 0.00 O ATOM 1328 CB LYS A 90 70.008 -0.252 -14.574 1.00 0.00 C ATOM 1329 CG LYS A 90 69.915 -1.736 -14.183 1.00 0.00 C ATOM 1330 CD LYS A 90 71.261 -2.436 -14.416 1.00 0.00 C ATOM 1331 CE LYS A 90 71.054 -3.953 -14.454 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.220 -4.317 -15.634 1.00 0.00 N1+ ATOM 0 H LYS A 90 69.582 0.474 -12.097 1.00 0.00 H new ATOM 0 HA LYS A 90 71.986 0.053 -13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.024 0.211 -14.508 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.334 -0.161 -15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 90 69.628 -1.825 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 90 69.137 -2.225 -14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 90 71.701 -2.096 -15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 90 71.960 -2.174 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 90 72.017 -4.460 -14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.569 -4.287 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 70.455 -5.282 -15.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.214 -4.272 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 70.408 -3.651 -16.411 1.00 0.00 H new ATOM 1346 N VAL A 91 71.754 2.287 -15.080 1.00 0.00 N ATOM 1347 CA VAL A 91 71.882 3.677 -15.524 1.00 0.00 C ATOM 1348 C VAL A 91 71.296 3.840 -16.922 1.00 0.00 C ATOM 1349 O VAL A 91 71.642 3.101 -17.843 1.00 0.00 O ATOM 1350 CB VAL A 91 73.361 4.078 -15.520 1.00 0.00 C ATOM 1351 CG1 VAL A 91 73.812 4.358 -14.080 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.201 2.932 -16.095 1.00 0.00 C ATOM 0 H VAL A 91 72.258 1.613 -15.656 1.00 0.00 H new ATOM 0 HA VAL A 91 71.331 4.325 -14.842 1.00 0.00 H new ATOM 0 HB VAL A 91 73.495 4.973 -16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 91 74.864 4.643 -14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.215 5.169 -13.663 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.678 3.461 -13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.253 3.216 -16.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.065 2.039 -15.485 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.883 2.725 -17.117 1.00 0.00 H new ATOM 1362 N THR A 92 70.391 4.810 -17.065 1.00 0.00 N ATOM 1363 CA THR A 92 69.736 5.066 -18.356 1.00 0.00 C ATOM 1364 C THR A 92 69.948 6.510 -18.803 1.00 0.00 C ATOM 1365 O THR A 92 69.666 7.447 -18.058 1.00 0.00 O ATOM 1366 CB THR A 92 68.235 4.788 -18.231 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.038 3.441 -17.821 1.00 0.00 O ATOM 1368 CG2 THR A 92 67.553 5.013 -19.579 1.00 0.00 C ATOM 0 H THR A 92 70.094 5.429 -16.311 1.00 0.00 H new ATOM 0 HA THR A 92 70.178 4.406 -19.102 1.00 0.00 H new ATOM 0 HB THR A 92 67.804 5.464 -17.493 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.088 3.213 -17.892 1.00 0.00 H new ATOM 0 HG21 THR A 92 66.486 4.814 -19.484 1.00 0.00 H new ATOM 0 HG22 THR A 92 67.703 6.045 -19.895 1.00 0.00 H new ATOM 0 HG23 THR A 92 67.983 4.340 -20.321 1.00 0.00 H new