USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot -120:sc= 0.0803 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -78:sc= 0.0515 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.253 X(o=-0.2,f=-0.02) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 23:sc= 0.239 USER MOD Single : A 19 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.67) USER MOD Single : A 20 MET CE :methyl -133:sc= -0.936 (180deg=-2.91!) USER MOD Single : A 21 THR OG1 : rot -33:sc= 0.175 USER MOD Single : A 23 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= 0.752 (180deg=-0.158) USER MOD Single : A 32 SER OG : rot -151:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 40 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.69) USER MOD Single : A 45 HIS : no HE2:sc= -0.091 X(o=-0.091,f=-0.2) USER MOD Single : A 49 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.084) USER MOD Single : A 50 MET CE :methyl -178:sc= 0 (180deg=-0.0064) USER MOD Single : A 55 THR OG1 : rot 24:sc= 1.42 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.896 K(o=-0.9,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : A 69 THR OG1 : rot -100:sc= 1.23 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -9.657 3.310 12.672 1.00 1.94 N ATOM 2 CA GLY A 9 -8.816 3.384 13.861 1.00 1.31 C ATOM 3 C GLY A 9 -8.136 4.743 14.013 1.00 1.01 C ATOM 4 O GLY A 9 -8.691 5.792 13.680 1.00 1.37 O ATOM 0 HA2 GLY A 9 -9.423 3.184 14.744 1.00 1.31 H new ATOM 0 HA3 GLY A 9 -8.056 2.604 13.813 1.00 1.31 H new ATOM 8 N THR A 10 -6.889 4.694 14.472 1.00 1.04 N ATOM 9 CA THR A 10 -5.953 5.819 14.567 1.00 0.74 C ATOM 10 C THR A 10 -4.784 5.623 13.607 1.00 0.54 C ATOM 11 O THR A 10 -4.560 4.520 13.099 1.00 0.52 O ATOM 12 CB THR A 10 -5.498 6.022 16.022 1.00 0.81 C ATOM 13 OG1 THR A 10 -4.623 7.119 16.165 1.00 0.76 O ATOM 14 CG2 THR A 10 -4.773 4.813 16.606 1.00 0.93 C ATOM 0 H THR A 10 -6.478 3.823 14.807 1.00 1.04 H new ATOM 0 HA THR A 10 -6.461 6.735 14.265 1.00 0.74 H new ATOM 0 HB THR A 10 -6.430 6.193 16.561 1.00 0.81 H new ATOM 0 HG1 THR A 10 -4.363 7.209 17.105 1.00 0.76 H new ATOM 0 HG21 THR A 10 -4.481 5.026 17.634 1.00 0.93 H new ATOM 0 HG22 THR A 10 -5.436 3.948 16.589 1.00 0.93 H new ATOM 0 HG23 THR A 10 -3.884 4.600 16.013 1.00 0.93 H new ATOM 22 N LEU A 11 -4.077 6.709 13.305 1.00 0.46 N ATOM 23 CA LEU A 11 -3.039 6.749 12.275 1.00 0.41 C ATOM 24 C LEU A 11 -1.835 5.888 12.680 1.00 0.42 C ATOM 25 O LEU A 11 -1.278 6.033 13.771 1.00 0.49 O ATOM 26 CB LEU A 11 -2.617 8.207 12.019 1.00 0.45 C ATOM 27 CG LEU A 11 -2.131 8.626 10.619 1.00 0.77 C ATOM 28 CD1 LEU A 11 -0.872 7.908 10.138 1.00 2.08 C ATOM 29 CD2 LEU A 11 -3.204 8.484 9.546 1.00 1.12 C ATOM 0 H LEU A 11 -4.211 7.603 13.777 1.00 0.46 H new ATOM 0 HA LEU A 11 -3.442 6.335 11.350 1.00 0.41 H new ATOM 0 HB2 LEU A 11 -3.467 8.841 12.272 1.00 0.45 H new ATOM 0 HB3 LEU A 11 -1.821 8.444 12.725 1.00 0.45 H new ATOM 0 HG LEU A 11 -1.885 9.679 10.758 1.00 0.77 H new ATOM 0 HD11 LEU A 11 -0.605 8.267 9.144 1.00 2.08 H new ATOM 0 HD12 LEU A 11 -0.053 8.109 10.828 1.00 2.08 H new ATOM 0 HD13 LEU A 11 -1.058 6.835 10.098 1.00 2.08 H new ATOM 0 HD21 LEU A 11 -2.799 8.795 8.583 1.00 1.12 H new ATOM 0 HD22 LEU A 11 -3.524 7.444 9.486 1.00 1.12 H new ATOM 0 HD23 LEU A 11 -4.058 9.112 9.800 1.00 1.12 H new ATOM 41 N CYS A 12 -1.430 5.037 11.751 1.00 0.37 N ATOM 42 CA CYS A 12 -0.315 4.096 11.833 1.00 0.39 C ATOM 43 C CYS A 12 0.282 3.877 10.437 1.00 0.29 C ATOM 44 O CYS A 12 -0.418 3.994 9.431 1.00 0.30 O ATOM 45 CB CYS A 12 -0.831 2.752 12.370 1.00 0.53 C ATOM 46 SG CYS A 12 -1.095 2.808 14.165 1.00 1.64 S ATOM 0 H CYS A 12 -1.906 4.979 10.851 1.00 0.37 H new ATOM 0 HA CYS A 12 0.450 4.498 12.497 1.00 0.39 H new ATOM 0 HB2 CYS A 12 -1.766 2.495 11.872 1.00 0.53 H new ATOM 0 HB3 CYS A 12 -0.116 1.965 12.131 1.00 0.53 H new ATOM 0 HG CYS A 12 -1.261 4.041 14.541 1.00 1.64 H new ATOM 52 N THR A 13 1.558 3.501 10.370 1.00 0.30 N ATOM 53 CA THR A 13 2.185 2.991 9.141 1.00 0.21 C ATOM 54 C THR A 13 1.923 1.494 9.008 1.00 0.25 C ATOM 55 O THR A 13 2.235 0.732 9.920 1.00 0.44 O ATOM 56 CB THR A 13 3.699 3.244 9.133 1.00 0.27 C ATOM 57 OG1 THR A 13 3.978 4.575 9.516 1.00 0.45 O ATOM 58 CG2 THR A 13 4.282 3.008 7.740 1.00 0.38 C ATOM 0 H THR A 13 2.193 3.540 11.167 1.00 0.30 H new ATOM 0 HA THR A 13 1.745 3.524 8.298 1.00 0.21 H new ATOM 0 HB THR A 13 4.153 2.550 9.841 1.00 0.27 H new ATOM 0 HG1 THR A 13 3.801 5.176 8.763 1.00 0.45 H new ATOM 0 HG21 THR A 13 5.356 3.193 7.759 1.00 0.38 H new ATOM 0 HG22 THR A 13 4.097 1.977 7.438 1.00 0.38 H new ATOM 0 HG23 THR A 13 3.809 3.685 7.028 1.00 0.38 H new ATOM 66 N LEU A 14 1.389 1.062 7.869 1.00 0.18 N ATOM 67 CA LEU A 14 1.285 -0.347 7.478 1.00 0.20 C ATOM 68 C LEU A 14 2.361 -0.647 6.423 1.00 0.22 C ATOM 69 O LEU A 14 2.443 0.051 5.411 1.00 0.25 O ATOM 70 CB LEU A 14 -0.144 -0.625 6.984 1.00 0.27 C ATOM 71 CG LEU A 14 -1.202 -0.950 8.065 1.00 0.43 C ATOM 72 CD1 LEU A 14 -1.097 -0.171 9.375 1.00 0.98 C ATOM 73 CD2 LEU A 14 -2.598 -0.685 7.499 1.00 1.72 C ATOM 0 H LEU A 14 1.005 1.698 7.170 1.00 0.18 H new ATOM 0 HA LEU A 14 1.465 -1.013 8.322 1.00 0.20 H new ATOM 0 HB2 LEU A 14 -0.486 0.246 6.424 1.00 0.27 H new ATOM 0 HB3 LEU A 14 -0.106 -1.459 6.284 1.00 0.27 H new ATOM 0 HG LEU A 14 -1.015 -1.995 8.312 1.00 0.43 H new ATOM 0 HD11 LEU A 14 -1.892 -0.487 10.051 1.00 0.98 H new ATOM 0 HD12 LEU A 14 -0.129 -0.365 9.837 1.00 0.98 H new ATOM 0 HD13 LEU A 14 -1.195 0.896 9.173 1.00 0.98 H new ATOM 0 HD21 LEU A 14 -3.347 -0.913 8.257 1.00 1.72 H new ATOM 0 HD22 LEU A 14 -2.681 0.363 7.210 1.00 1.72 H new ATOM 0 HD23 LEU A 14 -2.762 -1.316 6.626 1.00 1.72 H new ATOM 85 N GLU A 15 3.183 -1.669 6.671 1.00 0.34 N ATOM 86 CA GLU A 15 4.312 -2.089 5.823 1.00 0.33 C ATOM 87 C GLU A 15 3.955 -3.356 5.020 1.00 0.27 C ATOM 88 O GLU A 15 4.116 -4.480 5.496 1.00 0.30 O ATOM 89 CB GLU A 15 5.576 -2.294 6.694 1.00 0.42 C ATOM 90 CG GLU A 15 6.201 -0.960 7.150 1.00 1.00 C ATOM 91 CD GLU A 15 7.600 -1.073 7.793 1.00 1.07 C ATOM 92 OE1 GLU A 15 8.216 -2.168 7.838 1.00 1.81 O ATOM 93 OE2 GLU A 15 8.125 -0.026 8.250 1.00 2.25 O ATOM 0 H GLU A 15 3.080 -2.253 7.501 1.00 0.34 H new ATOM 0 HA GLU A 15 4.525 -1.303 5.098 1.00 0.33 H new ATOM 0 HB2 GLU A 15 5.317 -2.889 7.570 1.00 0.42 H new ATOM 0 HB3 GLU A 15 6.314 -2.863 6.129 1.00 0.42 H new ATOM 0 HG2 GLU A 15 6.268 -0.296 6.288 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.527 -0.488 7.865 1.00 1.00 H new ATOM 100 N PHE A 16 3.455 -3.199 3.792 1.00 0.27 N ATOM 101 CA PHE A 16 2.972 -4.311 2.959 1.00 0.26 C ATOM 102 C PHE A 16 3.986 -4.758 1.903 1.00 0.25 C ATOM 103 O PHE A 16 4.694 -3.951 1.310 1.00 0.34 O ATOM 104 CB PHE A 16 1.685 -3.923 2.221 1.00 0.31 C ATOM 105 CG PHE A 16 0.406 -3.866 3.015 1.00 0.31 C ATOM 106 CD1 PHE A 16 -0.018 -2.657 3.590 1.00 1.67 C ATOM 107 CD2 PHE A 16 -0.421 -5.004 3.067 1.00 1.34 C ATOM 108 CE1 PHE A 16 -1.292 -2.576 4.176 1.00 1.67 C ATOM 109 CE2 PHE A 16 -1.703 -4.915 3.633 1.00 1.35 C ATOM 110 CZ PHE A 16 -2.142 -3.697 4.177 1.00 0.36 C ATOM 0 H PHE A 16 3.372 -2.288 3.340 1.00 0.27 H new ATOM 0 HA PHE A 16 2.798 -5.133 3.653 1.00 0.26 H new ATOM 0 HB2 PHE A 16 1.841 -2.944 1.769 1.00 0.31 H new ATOM 0 HB3 PHE A 16 1.541 -4.632 1.405 1.00 0.31 H new ATOM 0 HD1 PHE A 16 0.632 -1.794 3.582 1.00 1.67 H new ATOM 0 HD2 PHE A 16 -0.069 -5.946 2.672 1.00 1.34 H new ATOM 0 HE1 PHE A 16 -1.620 -1.651 4.627 1.00 1.67 H new ATOM 0 HE2 PHE A 16 -2.349 -5.780 3.650 1.00 1.35 H new ATOM 0 HZ PHE A 16 -3.134 -3.621 4.597 1.00 0.36 H new ATOM 120 N ALA A 17 3.958 -6.048 1.586 1.00 0.26 N ATOM 121 CA ALA A 17 4.692 -6.672 0.480 1.00 0.26 C ATOM 122 C ALA A 17 3.761 -7.022 -0.701 1.00 0.23 C ATOM 123 O ALA A 17 2.742 -7.687 -0.522 1.00 0.40 O ATOM 124 CB ALA A 17 5.417 -7.908 1.020 1.00 0.35 C ATOM 0 H ALA A 17 3.400 -6.720 2.113 1.00 0.26 H new ATOM 0 HA ALA A 17 5.422 -5.967 0.084 1.00 0.26 H new ATOM 0 HB1 ALA A 17 5.970 -8.387 0.212 1.00 0.35 H new ATOM 0 HB2 ALA A 17 6.110 -7.609 1.806 1.00 0.35 H new ATOM 0 HB3 ALA A 17 4.688 -8.609 1.427 1.00 0.35 H new ATOM 130 N VAL A 18 4.110 -6.631 -1.929 1.00 0.26 N ATOM 131 CA VAL A 18 3.233 -6.684 -3.127 1.00 0.27 C ATOM 132 C VAL A 18 3.984 -7.180 -4.364 1.00 0.35 C ATOM 133 O VAL A 18 5.207 -7.099 -4.401 1.00 0.56 O ATOM 134 CB VAL A 18 2.626 -5.299 -3.421 1.00 0.35 C ATOM 135 CG1 VAL A 18 1.574 -4.870 -2.393 1.00 0.37 C ATOM 136 CG2 VAL A 18 3.696 -4.226 -3.440 1.00 0.43 C ATOM 0 H VAL A 18 5.036 -6.256 -2.135 1.00 0.26 H new ATOM 0 HA VAL A 18 2.436 -7.392 -2.903 1.00 0.27 H new ATOM 0 HB VAL A 18 2.151 -5.401 -4.397 1.00 0.35 H new ATOM 0 HG11 VAL A 18 1.186 -3.886 -2.658 1.00 0.37 H new ATOM 0 HG12 VAL A 18 0.757 -5.592 -2.385 1.00 0.37 H new ATOM 0 HG13 VAL A 18 2.029 -4.826 -1.403 1.00 0.37 H new ATOM 0 HG21 VAL A 18 3.238 -3.259 -3.650 1.00 0.43 H new ATOM 0 HG22 VAL A 18 4.192 -4.190 -2.470 1.00 0.43 H new ATOM 0 HG23 VAL A 18 4.428 -4.456 -4.214 1.00 0.43 H new ATOM 146 N GLN A 19 3.292 -7.678 -5.393 1.00 0.32 N ATOM 147 CA GLN A 19 3.956 -8.153 -6.622 1.00 0.39 C ATOM 148 C GLN A 19 4.035 -7.061 -7.714 1.00 0.37 C ATOM 149 O GLN A 19 3.112 -6.914 -8.524 1.00 0.40 O ATOM 150 CB GLN A 19 3.252 -9.430 -7.115 1.00 0.54 C ATOM 151 CG GLN A 19 3.573 -10.658 -6.243 1.00 1.44 C ATOM 152 CD GLN A 19 2.707 -11.878 -6.561 1.00 2.04 C ATOM 153 OE1 GLN A 19 1.772 -11.842 -7.349 1.00 2.78 O ATOM 154 NE2 GLN A 19 2.936 -12.989 -5.905 1.00 2.84 N ATOM 0 H GLN A 19 2.276 -7.765 -5.405 1.00 0.32 H new ATOM 0 HA GLN A 19 4.993 -8.393 -6.388 1.00 0.39 H new ATOM 0 HB2 GLN A 19 2.174 -9.266 -7.123 1.00 0.54 H new ATOM 0 HB3 GLN A 19 3.551 -9.631 -8.144 1.00 0.54 H new ATOM 0 HG2 GLN A 19 4.622 -10.923 -6.375 1.00 1.44 H new ATOM 0 HG3 GLN A 19 3.441 -10.393 -5.194 1.00 1.44 H new ATOM 0 HE21 GLN A 19 3.711 -13.040 -5.243 1.00 2.84 H new ATOM 0 HE22 GLN A 19 2.340 -13.803 -6.056 1.00 2.84 H new ATOM 163 N MET A 20 5.151 -6.320 -7.761 1.00 0.38 N ATOM 164 CA MET A 20 5.531 -5.387 -8.840 1.00 0.43 C ATOM 165 C MET A 20 7.058 -5.155 -8.889 1.00 0.63 C ATOM 166 O MET A 20 7.683 -5.066 -7.835 1.00 0.93 O ATOM 167 CB MET A 20 4.802 -4.045 -8.651 1.00 0.38 C ATOM 168 CG MET A 20 4.949 -3.460 -7.240 1.00 0.41 C ATOM 169 SD MET A 20 4.200 -1.827 -7.038 1.00 0.72 S ATOM 170 CE MET A 20 4.786 -1.501 -5.362 1.00 0.40 C ATOM 0 H MET A 20 5.847 -6.354 -7.016 1.00 0.38 H new ATOM 0 HA MET A 20 5.235 -5.837 -9.788 1.00 0.43 H new ATOM 0 HB2 MET A 20 5.187 -3.327 -9.375 1.00 0.38 H new ATOM 0 HB3 MET A 20 3.743 -4.182 -8.870 1.00 0.38 H new ATOM 0 HG2 MET A 20 4.497 -4.147 -6.524 1.00 0.41 H new ATOM 0 HG3 MET A 20 6.009 -3.395 -6.993 1.00 0.41 H new ATOM 0 HE1 MET A 20 3.960 -1.133 -4.753 1.00 0.40 H new ATOM 0 HE2 MET A 20 5.175 -2.422 -4.927 1.00 0.40 H new ATOM 0 HE3 MET A 20 5.577 -0.751 -5.392 1.00 0.40 H new ATOM 180 N THR A 21 7.670 -5.025 -10.076 1.00 0.65 N ATOM 181 CA THR A 21 9.142 -4.925 -10.248 1.00 0.96 C ATOM 182 C THR A 21 9.644 -4.019 -11.399 1.00 0.71 C ATOM 183 O THR A 21 10.847 -3.740 -11.450 1.00 0.87 O ATOM 184 CB THR A 21 9.744 -6.344 -10.326 1.00 1.56 C ATOM 185 OG1 THR A 21 11.141 -6.347 -10.107 1.00 3.29 O ATOM 186 CG2 THR A 21 9.477 -7.048 -11.657 1.00 1.27 C ATOM 0 H THR A 21 7.158 -4.985 -10.958 1.00 0.65 H new ATOM 0 HA THR A 21 9.503 -4.401 -9.363 1.00 0.96 H new ATOM 0 HB THR A 21 9.238 -6.891 -9.530 1.00 1.56 H new ATOM 0 HG1 THR A 21 11.529 -5.519 -10.460 1.00 3.29 H new ATOM 0 HG21 THR A 21 9.929 -8.040 -11.641 1.00 1.27 H new ATOM 0 HG22 THR A 21 8.402 -7.141 -11.810 1.00 1.27 H new ATOM 0 HG23 THR A 21 9.910 -6.465 -12.470 1.00 1.27 H new ATOM 194 N CYS A 22 8.776 -3.499 -12.283 1.00 0.54 N ATOM 195 CA CYS A 22 9.122 -2.475 -13.285 1.00 0.55 C ATOM 196 C CYS A 22 8.271 -1.173 -13.175 1.00 0.58 C ATOM 197 O CYS A 22 7.159 -1.194 -12.640 1.00 0.66 O ATOM 198 CB CYS A 22 9.193 -3.156 -14.670 1.00 0.81 C ATOM 199 SG CYS A 22 7.640 -3.552 -15.535 1.00 1.29 S ATOM 0 H CYS A 22 7.797 -3.783 -12.323 1.00 0.54 H new ATOM 0 HA CYS A 22 10.114 -2.069 -13.088 1.00 0.55 H new ATOM 0 HB2 CYS A 22 9.780 -2.512 -15.325 1.00 0.81 H new ATOM 0 HB3 CYS A 22 9.751 -4.085 -14.553 1.00 0.81 H new ATOM 204 N GLN A 23 8.819 -0.033 -13.643 1.00 0.61 N ATOM 205 CA GLN A 23 8.383 1.344 -13.304 1.00 0.67 C ATOM 206 C GLN A 23 6.890 1.675 -13.518 1.00 0.67 C ATOM 207 O GLN A 23 6.352 2.519 -12.793 1.00 0.72 O ATOM 208 CB GLN A 23 9.263 2.394 -14.012 1.00 0.80 C ATOM 209 CG GLN A 23 10.577 2.688 -13.261 1.00 1.16 C ATOM 210 CD GLN A 23 10.413 3.338 -11.881 1.00 1.32 C ATOM 211 OE1 GLN A 23 9.433 3.996 -11.554 1.00 2.19 O ATOM 212 NE2 GLN A 23 11.381 3.186 -11.010 1.00 1.58 N ATOM 0 H GLN A 23 9.606 -0.043 -14.291 1.00 0.61 H new ATOM 0 HA GLN A 23 8.517 1.387 -12.223 1.00 0.67 H new ATOM 0 HB2 GLN A 23 9.497 2.045 -15.018 1.00 0.80 H new ATOM 0 HB3 GLN A 23 8.698 3.320 -14.119 1.00 0.80 H new ATOM 0 HG2 GLN A 23 11.125 1.753 -13.141 1.00 1.16 H new ATOM 0 HG3 GLN A 23 11.192 3.340 -13.881 1.00 1.16 H new ATOM 0 HE21 GLN A 23 12.208 2.643 -11.257 1.00 1.58 H new ATOM 0 HE22 GLN A 23 11.307 3.611 -10.086 1.00 1.58 H new ATOM 221 N SER A 24 6.198 1.000 -14.439 1.00 0.68 N ATOM 222 CA SER A 24 4.755 1.198 -14.676 1.00 0.74 C ATOM 223 C SER A 24 3.874 0.759 -13.504 1.00 0.58 C ATOM 224 O SER A 24 2.868 1.406 -13.208 1.00 0.61 O ATOM 225 CB SER A 24 4.305 0.417 -15.919 1.00 0.95 C ATOM 226 OG SER A 24 5.130 0.684 -17.038 1.00 1.30 O ATOM 0 H SER A 24 6.619 0.297 -15.047 1.00 0.68 H new ATOM 0 HA SER A 24 4.629 2.272 -14.811 1.00 0.74 H new ATOM 0 HB2 SER A 24 4.322 -0.651 -15.702 1.00 0.95 H new ATOM 0 HB3 SER A 24 3.274 0.678 -16.158 1.00 0.95 H new ATOM 0 HG SER A 24 4.813 0.168 -17.808 1.00 1.30 H new ATOM 232 N CYS A 25 4.251 -0.320 -12.815 1.00 0.51 N ATOM 233 CA CYS A 25 3.439 -0.946 -11.785 1.00 0.47 C ATOM 234 C CYS A 25 3.533 -0.159 -10.457 1.00 0.41 C ATOM 235 O CYS A 25 2.537 0.082 -9.787 1.00 0.40 O ATOM 236 CB CYS A 25 3.920 -2.403 -11.714 1.00 0.55 C ATOM 237 SG CYS A 25 3.768 -3.373 -13.244 1.00 0.74 S ATOM 0 H CYS A 25 5.146 -0.787 -12.964 1.00 0.51 H new ATOM 0 HA CYS A 25 2.372 -0.936 -12.009 1.00 0.47 H new ATOM 0 HB2 CYS A 25 4.967 -2.404 -11.410 1.00 0.55 H new ATOM 0 HB3 CYS A 25 3.360 -2.911 -10.929 1.00 0.55 H new ATOM 242 N VAL A 26 4.735 0.318 -10.145 1.00 0.45 N ATOM 243 CA VAL A 26 5.089 1.244 -9.056 1.00 0.46 C ATOM 244 C VAL A 26 4.140 2.448 -9.081 1.00 0.46 C ATOM 245 O VAL A 26 3.479 2.733 -8.087 1.00 0.46 O ATOM 246 CB VAL A 26 6.554 1.721 -9.225 1.00 0.57 C ATOM 247 CG1 VAL A 26 7.289 1.939 -7.897 1.00 0.64 C ATOM 248 CG2 VAL A 26 7.402 0.753 -10.034 1.00 0.86 C ATOM 0 H VAL A 26 5.557 0.050 -10.686 1.00 0.45 H new ATOM 0 HA VAL A 26 4.994 0.730 -8.099 1.00 0.46 H new ATOM 0 HB VAL A 26 6.445 2.671 -9.749 1.00 0.57 H new ATOM 0 HG11 VAL A 26 8.308 2.272 -8.095 1.00 0.64 H new ATOM 0 HG12 VAL A 26 6.767 2.697 -7.312 1.00 0.64 H new ATOM 0 HG13 VAL A 26 7.315 1.004 -7.338 1.00 0.64 H new ATOM 0 HG21 VAL A 26 8.417 1.141 -10.118 1.00 0.86 H new ATOM 0 HG22 VAL A 26 7.424 -0.216 -9.535 1.00 0.86 H new ATOM 0 HG23 VAL A 26 6.974 0.639 -11.030 1.00 0.86 H new ATOM 258 N ASP A 27 3.993 3.092 -10.247 1.00 0.51 N ATOM 259 CA ASP A 27 3.077 4.221 -10.455 1.00 0.54 C ATOM 260 C ASP A 27 1.609 3.817 -10.296 1.00 0.48 C ATOM 261 O ASP A 27 0.817 4.536 -9.687 1.00 0.52 O ATOM 262 CB ASP A 27 3.284 4.785 -11.868 1.00 0.64 C ATOM 263 CG ASP A 27 2.805 6.233 -11.987 1.00 1.14 C ATOM 264 OD1 ASP A 27 3.272 7.086 -11.200 1.00 1.77 O ATOM 265 OD2 ASP A 27 1.989 6.562 -12.877 1.00 2.39 O ATOM 0 H ASP A 27 4.516 2.839 -11.085 1.00 0.51 H new ATOM 0 HA ASP A 27 3.303 4.970 -9.696 1.00 0.54 H new ATOM 0 HB2 ASP A 27 4.341 4.731 -12.128 1.00 0.64 H new ATOM 0 HB3 ASP A 27 2.747 4.166 -12.587 1.00 0.64 H new ATOM 270 N ALA A 28 1.250 2.639 -10.810 1.00 0.47 N ATOM 271 CA ALA A 28 -0.134 2.179 -10.812 1.00 0.47 C ATOM 272 C ALA A 28 -0.621 1.855 -9.394 1.00 0.46 C ATOM 273 O ALA A 28 -1.748 2.210 -9.027 1.00 0.53 O ATOM 274 CB ALA A 28 -0.244 0.976 -11.750 1.00 0.49 C ATOM 0 H ALA A 28 1.907 1.984 -11.233 1.00 0.47 H new ATOM 0 HA ALA A 28 -0.785 2.974 -11.176 1.00 0.47 H new ATOM 0 HB1 ALA A 28 -1.274 0.618 -11.764 1.00 0.49 H new ATOM 0 HB2 ALA A 28 0.051 1.271 -12.757 1.00 0.49 H new ATOM 0 HB3 ALA A 28 0.412 0.180 -11.399 1.00 0.49 H new ATOM 280 N VAL A 29 0.230 1.241 -8.564 1.00 0.39 N ATOM 281 CA VAL A 29 -0.108 0.877 -7.201 1.00 0.44 C ATOM 282 C VAL A 29 -0.062 2.095 -6.273 1.00 0.46 C ATOM 283 O VAL A 29 -0.958 2.230 -5.443 1.00 0.56 O ATOM 284 CB VAL A 29 0.749 -0.320 -6.747 1.00 0.57 C ATOM 285 CG1 VAL A 29 0.262 -0.864 -5.411 1.00 0.62 C ATOM 286 CG2 VAL A 29 0.639 -1.532 -7.692 1.00 0.63 C ATOM 0 H VAL A 29 1.180 0.984 -8.831 1.00 0.39 H new ATOM 0 HA VAL A 29 -1.143 0.537 -7.152 1.00 0.44 H new ATOM 0 HB VAL A 29 1.765 0.073 -6.714 1.00 0.57 H new ATOM 0 HG11 VAL A 29 0.884 -1.708 -5.113 1.00 0.62 H new ATOM 0 HG12 VAL A 29 0.326 -0.082 -4.655 1.00 0.62 H new ATOM 0 HG13 VAL A 29 -0.773 -1.192 -5.507 1.00 0.62 H new ATOM 0 HG21 VAL A 29 1.265 -2.342 -7.319 1.00 0.63 H new ATOM 0 HG22 VAL A 29 -0.398 -1.866 -7.737 1.00 0.63 H new ATOM 0 HG23 VAL A 29 0.972 -1.247 -8.690 1.00 0.63 H new ATOM 296 N ARG A 30 0.848 3.062 -6.491 1.00 0.42 N ATOM 297 CA ARG A 30 0.802 4.400 -5.855 1.00 0.46 C ATOM 298 C ARG A 30 -0.541 5.091 -6.122 1.00 0.52 C ATOM 299 O ARG A 30 -1.115 5.701 -5.223 1.00 0.59 O ATOM 300 CB ARG A 30 1.948 5.268 -6.429 1.00 0.47 C ATOM 301 CG ARG A 30 3.331 4.919 -5.859 1.00 0.45 C ATOM 302 CD ARG A 30 4.496 5.398 -6.750 1.00 0.53 C ATOM 303 NE ARG A 30 5.502 6.181 -6.004 1.00 0.87 N ATOM 304 CZ ARG A 30 5.786 7.463 -6.180 1.00 1.66 C ATOM 305 NH1 ARG A 30 5.119 8.245 -6.972 1.00 2.58 N ATOM 306 NH2 ARG A 30 6.781 8.023 -5.564 1.00 2.20 N ATOM 0 H ARG A 30 1.644 2.940 -7.118 1.00 0.42 H new ATOM 0 HA ARG A 30 0.917 4.280 -4.778 1.00 0.46 H new ATOM 0 HB2 ARG A 30 1.972 5.153 -7.513 1.00 0.47 H new ATOM 0 HB3 ARG A 30 1.735 6.317 -6.225 1.00 0.47 H new ATOM 0 HG2 ARG A 30 3.432 5.365 -4.870 1.00 0.45 H new ATOM 0 HG3 ARG A 30 3.401 3.839 -5.730 1.00 0.45 H new ATOM 0 HD2 ARG A 30 4.979 4.533 -7.204 1.00 0.53 H new ATOM 0 HD3 ARG A 30 4.099 6.006 -7.563 1.00 0.53 H new ATOM 0 HE ARG A 30 6.029 5.687 -5.284 1.00 0.87 H new ATOM 0 HH11 ARG A 30 4.327 7.880 -7.501 1.00 2.58 H new ATOM 0 HH12 ARG A 30 5.387 9.225 -7.065 1.00 2.58 H new ATOM 0 HH21 ARG A 30 7.362 7.475 -4.930 1.00 2.20 H new ATOM 0 HH22 ARG A 30 6.982 9.012 -5.714 1.00 2.20 H new ATOM 320 N LYS A 31 -1.097 4.947 -7.329 1.00 0.54 N ATOM 321 CA LYS A 31 -2.307 5.672 -7.755 1.00 0.60 C ATOM 322 C LYS A 31 -3.632 5.068 -7.287 1.00 0.59 C ATOM 323 O LYS A 31 -4.597 5.817 -7.135 1.00 0.61 O ATOM 324 CB LYS A 31 -2.220 5.990 -9.250 1.00 0.72 C ATOM 325 CG LYS A 31 -1.194 7.126 -9.342 1.00 0.72 C ATOM 326 CD LYS A 31 -0.800 7.541 -10.750 1.00 0.92 C ATOM 327 CE LYS A 31 0.104 8.749 -10.523 1.00 0.94 C ATOM 328 NZ LYS A 31 0.943 9.026 -11.711 1.00 1.29 N ATOM 0 H LYS A 31 -0.722 4.323 -8.044 1.00 0.54 H new ATOM 0 HA LYS A 31 -2.323 6.622 -7.221 1.00 0.60 H new ATOM 0 HB2 LYS A 31 -1.901 5.119 -9.823 1.00 0.72 H new ATOM 0 HB3 LYS A 31 -3.188 6.296 -9.648 1.00 0.72 H new ATOM 0 HG2 LYS A 31 -1.595 7.997 -8.824 1.00 0.72 H new ATOM 0 HG3 LYS A 31 -0.294 6.823 -8.806 1.00 0.72 H new ATOM 0 HD2 LYS A 31 -0.277 6.741 -11.273 1.00 0.92 H new ATOM 0 HD3 LYS A 31 -1.672 7.799 -11.352 1.00 0.92 H new ATOM 0 HE2 LYS A 31 -0.505 9.623 -10.294 1.00 0.94 H new ATOM 0 HE3 LYS A 31 0.743 8.570 -9.658 1.00 0.94 H new ATOM 0 HZ1 LYS A 31 1.848 9.440 -11.408 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.123 8.139 -12.224 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 0.449 9.694 -12.337 1.00 1.29 H new ATOM 342 N SER A 32 -3.657 3.787 -6.905 1.00 0.57 N ATOM 343 CA SER A 32 -4.745 3.258 -6.057 1.00 0.55 C ATOM 344 C SER A 32 -4.741 3.876 -4.644 1.00 0.50 C ATOM 345 O SER A 32 -5.803 4.052 -4.048 1.00 0.66 O ATOM 346 CB SER A 32 -4.683 1.727 -5.973 1.00 0.62 C ATOM 347 OG SER A 32 -5.832 1.225 -5.307 1.00 0.93 O ATOM 0 H SER A 32 -2.949 3.100 -7.162 1.00 0.57 H new ATOM 0 HA SER A 32 -5.682 3.545 -6.534 1.00 0.55 H new ATOM 0 HB2 SER A 32 -4.620 1.303 -6.975 1.00 0.62 H new ATOM 0 HB3 SER A 32 -3.782 1.421 -5.441 1.00 0.62 H new ATOM 0 HG SER A 32 -5.606 0.387 -4.852 1.00 0.93 H new ATOM 353 N LEU A 33 -3.576 4.272 -4.111 1.00 0.45 N ATOM 354 CA LEU A 33 -3.454 4.921 -2.792 1.00 0.48 C ATOM 355 C LEU A 33 -3.754 6.434 -2.836 1.00 0.48 C ATOM 356 O LEU A 33 -4.112 7.040 -1.825 1.00 0.56 O ATOM 357 CB LEU A 33 -2.043 4.701 -2.215 1.00 0.53 C ATOM 358 CG LEU A 33 -1.497 3.263 -2.254 1.00 0.44 C ATOM 359 CD1 LEU A 33 0.017 3.221 -2.065 1.00 0.58 C ATOM 360 CD2 LEU A 33 -2.118 2.388 -1.175 1.00 0.47 C ATOM 0 H LEU A 33 -2.682 4.151 -4.586 1.00 0.45 H new ATOM 0 HA LEU A 33 -4.202 4.455 -2.150 1.00 0.48 H new ATOM 0 HB2 LEU A 33 -1.349 5.343 -2.758 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.043 5.037 -1.178 1.00 0.53 H new ATOM 0 HG LEU A 33 -1.760 2.881 -3.240 1.00 0.44 H new ATOM 0 HD11 LEU A 33 0.359 2.187 -2.099 1.00 0.58 H new ATOM 0 HD12 LEU A 33 0.499 3.789 -2.860 1.00 0.58 H new ATOM 0 HD13 LEU A 33 0.275 3.657 -1.100 1.00 0.58 H new ATOM 0 HD21 LEU A 33 -1.704 1.382 -1.239 1.00 0.47 H new ATOM 0 HD22 LEU A 33 -1.898 2.809 -0.194 1.00 0.47 H new ATOM 0 HD23 LEU A 33 -3.198 2.346 -1.318 1.00 0.47 H new ATOM 372 N GLN A 34 -3.580 7.059 -4.002 1.00 0.59 N ATOM 373 CA GLN A 34 -3.764 8.498 -4.200 1.00 0.79 C ATOM 374 C GLN A 34 -5.249 8.876 -4.208 1.00 0.78 C ATOM 375 O GLN A 34 -6.044 8.460 -5.057 1.00 0.82 O ATOM 376 CB GLN A 34 -2.987 8.931 -5.455 1.00 0.99 C ATOM 377 CG GLN A 34 -1.522 9.170 -5.069 1.00 1.07 C ATOM 378 CD GLN A 34 -0.603 9.391 -6.266 1.00 1.19 C ATOM 379 OE1 GLN A 34 -0.943 10.066 -7.234 1.00 1.57 O ATOM 380 NE2 GLN A 34 0.600 8.868 -6.223 1.00 1.51 N ATOM 0 H GLN A 34 -3.302 6.569 -4.852 1.00 0.59 H new ATOM 0 HA GLN A 34 -3.350 9.055 -3.360 1.00 0.79 H new ATOM 0 HB2 GLN A 34 -3.054 8.162 -6.225 1.00 0.99 H new ATOM 0 HB3 GLN A 34 -3.421 9.840 -5.873 1.00 0.99 H new ATOM 0 HG2 GLN A 34 -1.465 10.038 -4.413 1.00 1.07 H new ATOM 0 HG3 GLN A 34 -1.161 8.315 -4.498 1.00 1.07 H new ATOM 0 HE21 GLN A 34 0.884 8.307 -5.420 1.00 1.51 H new ATOM 0 HE22 GLN A 34 1.251 9.022 -6.993 1.00 1.51 H new ATOM 389 N GLY A 35 -5.594 9.679 -3.208 1.00 0.79 N ATOM 390 CA GLY A 35 -6.959 10.105 -2.859 1.00 0.84 C ATOM 391 C GLY A 35 -7.736 9.183 -1.899 1.00 0.74 C ATOM 392 O GLY A 35 -8.967 9.239 -1.880 1.00 1.02 O ATOM 0 H GLY A 35 -4.896 10.076 -2.580 1.00 0.79 H new ATOM 0 HA2 GLY A 35 -6.904 11.097 -2.411 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -7.533 10.202 -3.780 1.00 0.84 H new ATOM 396 N VAL A 36 -7.076 8.318 -1.112 1.00 0.56 N ATOM 397 CA VAL A 36 -7.747 7.360 -0.219 1.00 0.75 C ATOM 398 C VAL A 36 -8.217 8.043 1.061 1.00 0.62 C ATOM 399 O VAL A 36 -7.424 8.565 1.843 1.00 0.56 O ATOM 400 CB VAL A 36 -6.850 6.141 0.063 1.00 0.93 C ATOM 401 CG1 VAL A 36 -7.310 5.281 1.246 1.00 1.27 C ATOM 402 CG2 VAL A 36 -6.836 5.231 -1.171 1.00 1.12 C ATOM 0 H VAL A 36 -6.058 8.263 -1.077 1.00 0.56 H new ATOM 0 HA VAL A 36 -8.637 6.986 -0.725 1.00 0.75 H new ATOM 0 HB VAL A 36 -5.869 6.548 0.306 1.00 0.93 H new ATOM 0 HG11 VAL A 36 -6.624 4.444 1.376 1.00 1.27 H new ATOM 0 HG12 VAL A 36 -7.321 5.886 2.153 1.00 1.27 H new ATOM 0 HG13 VAL A 36 -8.313 4.901 1.051 1.00 1.27 H new ATOM 0 HG21 VAL A 36 -6.202 4.366 -0.978 1.00 1.12 H new ATOM 0 HG22 VAL A 36 -7.850 4.897 -1.388 1.00 1.12 H new ATOM 0 HG23 VAL A 36 -6.445 5.783 -2.026 1.00 1.12 H new ATOM 412 N ALA A 37 -9.522 7.982 1.304 1.00 0.72 N ATOM 413 CA ALA A 37 -10.134 8.478 2.532 1.00 0.74 C ATOM 414 C ALA A 37 -9.596 7.687 3.738 1.00 0.65 C ATOM 415 O ALA A 37 -9.801 6.472 3.830 1.00 0.75 O ATOM 416 CB ALA A 37 -11.661 8.405 2.410 1.00 0.95 C ATOM 0 H ALA A 37 -10.192 7.582 0.647 1.00 0.72 H new ATOM 0 HA ALA A 37 -9.871 9.524 2.692 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -12.117 8.776 3.328 1.00 0.95 H new ATOM 0 HB2 ALA A 37 -11.988 9.016 1.569 1.00 0.95 H new ATOM 0 HB3 ALA A 37 -11.964 7.371 2.246 1.00 0.95 H new ATOM 422 N GLY A 38 -8.905 8.383 4.640 1.00 0.56 N ATOM 423 CA GLY A 38 -8.181 7.836 5.790 1.00 0.49 C ATOM 424 C GLY A 38 -6.660 7.743 5.607 1.00 0.40 C ATOM 425 O GLY A 38 -5.985 7.247 6.510 1.00 0.40 O ATOM 0 H GLY A 38 -8.830 9.399 4.586 1.00 0.56 H new ATOM 0 HA2 GLY A 38 -8.391 8.455 6.662 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -8.569 6.840 6.006 1.00 0.49 H new ATOM 429 N VAL A 39 -6.084 8.192 4.481 1.00 0.44 N ATOM 430 CA VAL A 39 -4.624 8.272 4.285 1.00 0.49 C ATOM 431 C VAL A 39 -4.069 9.637 4.719 1.00 0.65 C ATOM 432 O VAL A 39 -4.690 10.670 4.466 1.00 0.91 O ATOM 433 CB VAL A 39 -4.262 7.928 2.821 1.00 0.60 C ATOM 434 CG1 VAL A 39 -4.257 9.106 1.836 1.00 1.55 C ATOM 435 CG2 VAL A 39 -2.904 7.221 2.739 1.00 1.67 C ATOM 0 H VAL A 39 -6.620 8.512 3.674 1.00 0.44 H new ATOM 0 HA VAL A 39 -4.147 7.532 4.927 1.00 0.49 H new ATOM 0 HB VAL A 39 -5.075 7.272 2.509 1.00 0.60 H new ATOM 0 HG11 VAL A 39 -3.990 8.748 0.842 1.00 1.55 H new ATOM 0 HG12 VAL A 39 -5.248 9.558 1.805 1.00 1.55 H new ATOM 0 HG13 VAL A 39 -3.529 9.849 2.161 1.00 1.55 H new ATOM 0 HG21 VAL A 39 -2.676 6.991 1.698 1.00 1.67 H new ATOM 0 HG22 VAL A 39 -2.130 7.872 3.145 1.00 1.67 H new ATOM 0 HG23 VAL A 39 -2.940 6.296 3.315 1.00 1.67 H new ATOM 445 N GLN A 40 -2.878 9.655 5.325 1.00 0.56 N ATOM 446 CA GLN A 40 -2.036 10.849 5.465 1.00 0.57 C ATOM 447 C GLN A 40 -0.925 10.881 4.411 1.00 0.48 C ATOM 448 O GLN A 40 -0.733 11.895 3.737 1.00 0.56 O ATOM 449 CB GLN A 40 -1.396 10.885 6.864 1.00 0.65 C ATOM 450 CG GLN A 40 -2.303 11.563 7.896 1.00 0.92 C ATOM 451 CD GLN A 40 -1.571 11.914 9.193 1.00 2.33 C ATOM 452 OE1 GLN A 40 -0.444 11.498 9.455 1.00 3.73 O ATOM 453 NE2 GLN A 40 -2.188 12.686 10.056 1.00 2.40 N ATOM 0 H GLN A 40 -2.462 8.822 5.741 1.00 0.56 H new ATOM 0 HA GLN A 40 -2.678 11.719 5.323 1.00 0.57 H new ATOM 0 HB2 GLN A 40 -1.176 9.868 7.188 1.00 0.65 H new ATOM 0 HB3 GLN A 40 -0.445 11.416 6.814 1.00 0.65 H new ATOM 0 HG2 GLN A 40 -2.721 12.472 7.463 1.00 0.92 H new ATOM 0 HG3 GLN A 40 -3.141 10.904 8.124 1.00 0.92 H new ATOM 0 HE21 GLN A 40 -3.123 13.037 9.849 1.00 2.40 H new ATOM 0 HE22 GLN A 40 -1.733 12.935 10.934 1.00 2.40 H new ATOM 462 N ASP A 41 -0.191 9.776 4.273 1.00 0.40 N ATOM 463 CA ASP A 41 1.046 9.670 3.504 1.00 0.43 C ATOM 464 C ASP A 41 1.247 8.237 2.992 1.00 0.34 C ATOM 465 O ASP A 41 0.699 7.275 3.535 1.00 0.32 O ATOM 466 CB ASP A 41 2.246 10.067 4.382 1.00 0.52 C ATOM 467 CG ASP A 41 2.253 11.541 4.792 1.00 0.99 C ATOM 468 OD1 ASP A 41 2.348 12.401 3.886 1.00 1.39 O ATOM 469 OD2 ASP A 41 2.231 11.848 6.011 1.00 2.25 O ATOM 0 H ASP A 41 -0.455 8.894 4.713 1.00 0.40 H new ATOM 0 HA ASP A 41 0.975 10.344 2.650 1.00 0.43 H new ATOM 0 HB2 ASP A 41 2.246 9.450 5.281 1.00 0.52 H new ATOM 0 HB3 ASP A 41 3.167 9.845 3.843 1.00 0.52 H new ATOM 474 N VAL A 42 2.080 8.092 1.968 1.00 0.32 N ATOM 475 CA VAL A 42 2.526 6.817 1.396 1.00 0.32 C ATOM 476 C VAL A 42 3.973 6.902 0.912 1.00 0.33 C ATOM 477 O VAL A 42 4.461 7.977 0.556 1.00 0.41 O ATOM 478 CB VAL A 42 1.642 6.352 0.221 1.00 0.44 C ATOM 479 CG1 VAL A 42 0.204 6.087 0.664 1.00 0.89 C ATOM 480 CG2 VAL A 42 1.594 7.267 -1.013 1.00 0.54 C ATOM 0 H VAL A 42 2.485 8.896 1.488 1.00 0.32 H new ATOM 0 HA VAL A 42 2.445 6.088 2.202 1.00 0.32 H new ATOM 0 HB VAL A 42 2.146 5.438 -0.093 1.00 0.44 H new ATOM 0 HG11 VAL A 42 -0.386 5.761 -0.192 1.00 0.89 H new ATOM 0 HG12 VAL A 42 0.196 5.309 1.427 1.00 0.89 H new ATOM 0 HG13 VAL A 42 -0.225 7.001 1.074 1.00 0.89 H new ATOM 0 HG21 VAL A 42 0.939 6.828 -1.766 1.00 0.54 H new ATOM 0 HG22 VAL A 42 1.211 8.246 -0.725 1.00 0.54 H new ATOM 0 HG23 VAL A 42 2.598 7.376 -1.424 1.00 0.54 H new ATOM 490 N GLU A 43 4.660 5.765 0.850 1.00 0.34 N ATOM 491 CA GLU A 43 5.930 5.606 0.179 1.00 0.42 C ATOM 492 C GLU A 43 6.010 4.214 -0.463 1.00 0.47 C ATOM 493 O GLU A 43 5.738 3.209 0.191 1.00 0.58 O ATOM 494 CB GLU A 43 7.007 5.781 1.235 1.00 0.44 C ATOM 495 CG GLU A 43 8.359 5.985 0.582 1.00 0.67 C ATOM 496 CD GLU A 43 8.555 7.432 0.114 1.00 2.09 C ATOM 497 OE1 GLU A 43 8.584 8.345 0.973 1.00 2.79 O ATOM 498 OE2 GLU A 43 8.636 7.677 -1.114 1.00 3.39 O ATOM 0 H GLU A 43 4.329 4.903 1.284 1.00 0.34 H new ATOM 0 HA GLU A 43 6.056 6.339 -0.618 1.00 0.42 H new ATOM 0 HB2 GLU A 43 6.769 6.636 1.868 1.00 0.44 H new ATOM 0 HB3 GLU A 43 7.037 4.904 1.882 1.00 0.44 H new ATOM 0 HG2 GLU A 43 9.147 5.722 1.288 1.00 0.67 H new ATOM 0 HG3 GLU A 43 8.456 5.312 -0.270 1.00 0.67 H new ATOM 505 N VAL A 44 6.420 4.126 -1.727 1.00 0.41 N ATOM 506 CA VAL A 44 6.699 2.846 -2.392 1.00 0.34 C ATOM 507 C VAL A 44 8.198 2.566 -2.425 1.00 0.35 C ATOM 508 O VAL A 44 9.011 3.460 -2.660 1.00 0.54 O ATOM 509 CB VAL A 44 5.997 2.768 -3.761 1.00 0.46 C ATOM 510 CG1 VAL A 44 6.535 1.665 -4.666 1.00 1.33 C ATOM 511 CG2 VAL A 44 4.527 2.421 -3.529 1.00 1.56 C ATOM 0 H VAL A 44 6.570 4.940 -2.324 1.00 0.41 H new ATOM 0 HA VAL A 44 6.269 2.033 -1.808 1.00 0.34 H new ATOM 0 HB VAL A 44 6.162 3.733 -4.240 1.00 0.46 H new ATOM 0 HG11 VAL A 44 5.992 1.672 -5.611 1.00 1.33 H new ATOM 0 HG12 VAL A 44 7.595 1.834 -4.855 1.00 1.33 H new ATOM 0 HG13 VAL A 44 6.403 0.699 -4.179 1.00 1.33 H new ATOM 0 HG21 VAL A 44 4.012 2.361 -4.488 1.00 1.56 H new ATOM 0 HG22 VAL A 44 4.456 1.461 -3.018 1.00 1.56 H new ATOM 0 HG23 VAL A 44 4.063 3.193 -2.915 1.00 1.56 H new ATOM 521 N HIS A 45 8.555 1.309 -2.160 1.00 0.33 N ATOM 522 CA HIS A 45 9.911 0.774 -2.237 1.00 0.35 C ATOM 523 C HIS A 45 9.965 -0.372 -3.251 1.00 0.34 C ATOM 524 O HIS A 45 9.866 -1.558 -2.915 1.00 0.35 O ATOM 525 CB HIS A 45 10.386 0.339 -0.841 1.00 0.44 C ATOM 526 CG HIS A 45 10.745 1.476 0.088 1.00 0.51 C ATOM 527 ND1 HIS A 45 11.998 1.718 0.601 1.00 0.70 N ATOM 528 CD2 HIS A 45 9.918 2.451 0.582 1.00 0.59 C ATOM 529 CE1 HIS A 45 11.940 2.824 1.361 1.00 0.76 C ATOM 530 NE2 HIS A 45 10.691 3.325 1.362 1.00 0.72 N ATOM 0 H HIS A 45 7.874 0.606 -1.873 1.00 0.33 H new ATOM 0 HA HIS A 45 10.593 1.550 -2.585 1.00 0.35 H new ATOM 0 HB2 HIS A 45 9.602 -0.258 -0.376 1.00 0.44 H new ATOM 0 HB3 HIS A 45 11.256 -0.308 -0.954 1.00 0.44 H new ATOM 0 HD1 HIS A 45 12.830 1.153 0.433 1.00 0.70 H new ATOM 0 HD2 HIS A 45 8.856 2.533 0.402 1.00 0.59 H new ATOM 0 HE1 HIS A 45 12.776 3.250 1.895 1.00 0.76 H new ATOM 538 N LEU A 46 10.141 0.005 -4.515 1.00 0.43 N ATOM 539 CA LEU A 46 10.296 -0.877 -5.670 1.00 0.54 C ATOM 540 C LEU A 46 11.406 -1.928 -5.458 1.00 0.42 C ATOM 541 O LEU A 46 11.262 -3.083 -5.860 1.00 0.56 O ATOM 542 CB LEU A 46 10.654 0.036 -6.860 1.00 0.80 C ATOM 543 CG LEU A 46 10.252 -0.417 -8.268 1.00 1.05 C ATOM 544 CD1 LEU A 46 11.259 0.089 -9.296 1.00 2.69 C ATOM 545 CD2 LEU A 46 9.998 -1.896 -8.511 1.00 1.16 C ATOM 0 H LEU A 46 10.182 0.990 -4.776 1.00 0.43 H new ATOM 0 HA LEU A 46 9.376 -1.437 -5.840 1.00 0.54 H new ATOM 0 HB2 LEU A 46 10.198 1.010 -6.681 1.00 0.80 H new ATOM 0 HB3 LEU A 46 11.734 0.183 -6.853 1.00 0.80 H new ATOM 0 HG LEU A 46 9.266 0.034 -8.379 1.00 1.05 H new ATOM 0 HD11 LEU A 46 10.960 -0.241 -10.291 1.00 2.69 H new ATOM 0 HD12 LEU A 46 11.291 1.178 -9.269 1.00 2.69 H new ATOM 0 HD13 LEU A 46 12.247 -0.308 -9.064 1.00 2.69 H new ATOM 0 HD21 LEU A 46 9.724 -2.051 -9.554 1.00 1.16 H new ATOM 0 HD22 LEU A 46 10.902 -2.462 -8.285 1.00 1.16 H new ATOM 0 HD23 LEU A 46 9.186 -2.236 -7.868 1.00 1.16 H new ATOM 557 N GLU A 47 12.492 -1.548 -4.776 1.00 0.35 N ATOM 558 CA GLU A 47 13.667 -2.411 -4.565 1.00 0.40 C ATOM 559 C GLU A 47 13.412 -3.581 -3.602 1.00 0.53 C ATOM 560 O GLU A 47 14.151 -4.568 -3.619 1.00 0.85 O ATOM 561 CB GLU A 47 14.865 -1.585 -4.066 1.00 0.60 C ATOM 562 CG GLU A 47 15.179 -0.372 -4.950 1.00 1.07 C ATOM 563 CD GLU A 47 16.618 0.109 -4.750 1.00 1.92 C ATOM 564 OE1 GLU A 47 16.889 0.887 -3.801 1.00 3.28 O ATOM 565 OE2 GLU A 47 17.499 -0.310 -5.541 1.00 2.54 O ATOM 0 H GLU A 47 12.584 -0.626 -4.350 1.00 0.35 H new ATOM 0 HA GLU A 47 13.890 -2.847 -5.539 1.00 0.40 H new ATOM 0 HB2 GLU A 47 14.663 -1.243 -3.051 1.00 0.60 H new ATOM 0 HB3 GLU A 47 15.744 -2.227 -4.017 1.00 0.60 H new ATOM 0 HG2 GLU A 47 15.024 -0.633 -5.997 1.00 1.07 H new ATOM 0 HG3 GLU A 47 14.488 0.438 -4.717 1.00 1.07 H new ATOM 572 N ASP A 48 12.369 -3.499 -2.771 1.00 0.38 N ATOM 573 CA ASP A 48 11.890 -4.604 -1.929 1.00 0.47 C ATOM 574 C ASP A 48 10.558 -5.189 -2.445 1.00 0.49 C ATOM 575 O ASP A 48 10.077 -6.187 -1.913 1.00 0.70 O ATOM 576 CB ASP A 48 11.737 -4.120 -0.470 1.00 0.60 C ATOM 577 CG ASP A 48 12.191 -5.161 0.563 1.00 1.46 C ATOM 578 OD1 ASP A 48 11.506 -6.199 0.724 1.00 3.38 O ATOM 579 OD2 ASP A 48 13.207 -4.936 1.264 1.00 1.46 O ATOM 0 H ASP A 48 11.821 -2.646 -2.661 1.00 0.38 H new ATOM 0 HA ASP A 48 12.630 -5.403 -1.972 1.00 0.47 H new ATOM 0 HB2 ASP A 48 12.316 -3.207 -0.334 1.00 0.60 H new ATOM 0 HB3 ASP A 48 10.693 -3.866 -0.286 1.00 0.60 H new ATOM 584 N GLN A 49 9.930 -4.565 -3.449 1.00 0.39 N ATOM 585 CA GLN A 49 8.502 -4.715 -3.757 1.00 0.41 C ATOM 586 C GLN A 49 7.600 -4.459 -2.528 1.00 0.35 C ATOM 587 O GLN A 49 6.637 -5.184 -2.270 1.00 0.42 O ATOM 588 CB GLN A 49 8.213 -6.049 -4.460 1.00 0.58 C ATOM 589 CG GLN A 49 9.190 -6.451 -5.577 1.00 0.54 C ATOM 590 CD GLN A 49 10.428 -7.210 -5.120 1.00 1.21 C ATOM 591 OE1 GLN A 49 11.550 -6.727 -5.232 1.00 2.61 O ATOM 592 NE2 GLN A 49 10.298 -8.430 -4.648 1.00 2.58 N ATOM 0 H GLN A 49 10.411 -3.928 -4.084 1.00 0.39 H new ATOM 0 HA GLN A 49 8.241 -3.932 -4.469 1.00 0.41 H new ATOM 0 HB2 GLN A 49 8.208 -6.839 -3.709 1.00 0.58 H new ATOM 0 HB3 GLN A 49 7.209 -6.004 -4.882 1.00 0.58 H new ATOM 0 HG2 GLN A 49 8.655 -7.065 -6.301 1.00 0.54 H new ATOM 0 HG3 GLN A 49 9.510 -5.549 -6.099 1.00 0.54 H new ATOM 0 HE21 GLN A 49 9.370 -8.843 -4.550 1.00 2.58 H new ATOM 0 HE22 GLN A 49 11.125 -8.964 -4.380 1.00 2.58 H new ATOM 601 N MET A 50 7.941 -3.433 -1.739 1.00 0.30 N ATOM 602 CA MET A 50 7.246 -3.054 -0.503 1.00 0.28 C ATOM 603 C MET A 50 6.510 -1.713 -0.643 1.00 0.26 C ATOM 604 O MET A 50 6.902 -0.853 -1.433 1.00 0.31 O ATOM 605 CB MET A 50 8.253 -3.055 0.660 1.00 0.33 C ATOM 606 CG MET A 50 7.706 -2.542 2.000 1.00 0.39 C ATOM 607 SD MET A 50 8.633 -3.096 3.451 1.00 0.99 S ATOM 608 CE MET A 50 7.943 -4.769 3.594 1.00 0.68 C ATOM 0 H MET A 50 8.732 -2.825 -1.950 1.00 0.30 H new ATOM 0 HA MET A 50 6.469 -3.789 -0.291 1.00 0.28 H new ATOM 0 HB2 MET A 50 8.620 -4.072 0.801 1.00 0.33 H new ATOM 0 HB3 MET A 50 9.110 -2.443 0.378 1.00 0.33 H new ATOM 0 HG2 MET A 50 7.701 -1.452 1.982 1.00 0.39 H new ATOM 0 HG3 MET A 50 6.670 -2.864 2.102 1.00 0.39 H new ATOM 0 HE1 MET A 50 8.371 -5.266 4.465 1.00 0.68 H new ATOM 0 HE2 MET A 50 6.861 -4.708 3.706 1.00 0.68 H new ATOM 0 HE3 MET A 50 8.183 -5.340 2.697 1.00 0.68 H new ATOM 618 N VAL A 51 5.450 -1.514 0.145 1.00 0.25 N ATOM 619 CA VAL A 51 4.659 -0.283 0.200 1.00 0.29 C ATOM 620 C VAL A 51 4.359 0.108 1.645 1.00 0.25 C ATOM 621 O VAL A 51 3.898 -0.714 2.434 1.00 0.31 O ATOM 622 CB VAL A 51 3.343 -0.424 -0.593 1.00 0.38 C ATOM 623 CG1 VAL A 51 2.779 0.963 -0.881 1.00 0.65 C ATOM 624 CG2 VAL A 51 3.525 -1.143 -1.930 1.00 0.74 C ATOM 0 H VAL A 51 5.107 -2.231 0.784 1.00 0.25 H new ATOM 0 HA VAL A 51 5.253 0.506 -0.261 1.00 0.29 H new ATOM 0 HB VAL A 51 2.668 -1.019 0.023 1.00 0.38 H new ATOM 0 HG11 VAL A 51 1.849 0.868 -1.441 1.00 0.65 H new ATOM 0 HG12 VAL A 51 2.585 1.479 0.059 1.00 0.65 H new ATOM 0 HG13 VAL A 51 3.499 1.534 -1.467 1.00 0.65 H new ATOM 0 HG21 VAL A 51 2.564 -1.211 -2.440 1.00 0.74 H new ATOM 0 HG22 VAL A 51 4.227 -0.586 -2.550 1.00 0.74 H new ATOM 0 HG23 VAL A 51 3.914 -2.146 -1.754 1.00 0.74 H new ATOM 634 N LEU A 52 4.601 1.375 1.972 1.00 0.29 N ATOM 635 CA LEU A 52 4.266 2.014 3.239 1.00 0.27 C ATOM 636 C LEU A 52 3.017 2.864 3.050 1.00 0.26 C ATOM 637 O LEU A 52 2.946 3.680 2.129 1.00 0.31 O ATOM 638 CB LEU A 52 5.423 2.902 3.727 1.00 0.30 C ATOM 639 CG LEU A 52 6.697 2.136 4.141 1.00 0.37 C ATOM 640 CD1 LEU A 52 7.648 1.870 2.973 1.00 1.00 C ATOM 641 CD2 LEU A 52 7.482 2.947 5.171 1.00 0.91 C ATOM 0 H LEU A 52 5.060 2.016 1.325 1.00 0.29 H new ATOM 0 HA LEU A 52 4.087 1.242 3.987 1.00 0.27 H new ATOM 0 HB2 LEU A 52 5.680 3.606 2.936 1.00 0.30 H new ATOM 0 HB3 LEU A 52 5.077 3.490 4.577 1.00 0.30 H new ATOM 0 HG LEU A 52 6.351 1.183 4.541 1.00 0.37 H new ATOM 0 HD11 LEU A 52 8.523 1.328 3.332 1.00 1.00 H new ATOM 0 HD12 LEU A 52 7.138 1.274 2.217 1.00 1.00 H new ATOM 0 HD13 LEU A 52 7.962 2.818 2.536 1.00 1.00 H new ATOM 0 HD21 LEU A 52 8.380 2.399 5.458 1.00 0.91 H new ATOM 0 HD22 LEU A 52 7.765 3.907 4.739 1.00 0.91 H new ATOM 0 HD23 LEU A 52 6.862 3.114 6.052 1.00 0.91 H new ATOM 653 N VAL A 53 2.048 2.692 3.942 1.00 0.21 N ATOM 654 CA VAL A 53 0.777 3.414 3.923 1.00 0.21 C ATOM 655 C VAL A 53 0.498 3.933 5.330 1.00 0.19 C ATOM 656 O VAL A 53 0.186 3.165 6.237 1.00 0.17 O ATOM 657 CB VAL A 53 -0.353 2.521 3.370 1.00 0.22 C ATOM 658 CG1 VAL A 53 -1.654 3.321 3.230 1.00 0.25 C ATOM 659 CG2 VAL A 53 -0.025 1.933 1.991 1.00 0.33 C ATOM 0 H VAL A 53 2.124 2.033 4.716 1.00 0.21 H new ATOM 0 HA VAL A 53 0.831 4.269 3.249 1.00 0.21 H new ATOM 0 HB VAL A 53 -0.464 1.707 4.086 1.00 0.22 H new ATOM 0 HG11 VAL A 53 -2.439 2.674 2.839 1.00 0.25 H new ATOM 0 HG12 VAL A 53 -1.953 3.704 4.206 1.00 0.25 H new ATOM 0 HG13 VAL A 53 -1.497 4.155 2.546 1.00 0.25 H new ATOM 0 HG21 VAL A 53 -0.856 1.314 1.652 1.00 0.33 H new ATOM 0 HG22 VAL A 53 0.138 2.743 1.280 1.00 0.33 H new ATOM 0 HG23 VAL A 53 0.877 1.324 2.060 1.00 0.33 H new ATOM 669 N HIS A 54 0.647 5.242 5.513 1.00 0.24 N ATOM 670 CA HIS A 54 0.357 5.965 6.752 1.00 0.25 C ATOM 671 C HIS A 54 -1.151 6.281 6.793 1.00 0.25 C ATOM 672 O HIS A 54 -1.616 7.218 6.135 1.00 0.30 O ATOM 673 CB HIS A 54 1.225 7.238 6.796 1.00 0.28 C ATOM 674 CG HIS A 54 2.719 7.030 6.657 1.00 0.31 C ATOM 675 ND1 HIS A 54 3.667 7.313 7.614 1.00 0.44 N ATOM 676 CD2 HIS A 54 3.403 6.637 5.534 1.00 0.32 C ATOM 677 CE1 HIS A 54 4.879 7.076 7.091 1.00 0.51 C ATOM 678 NE2 HIS A 54 4.773 6.666 5.816 1.00 0.42 N ATOM 0 H HIS A 54 0.987 5.855 4.772 1.00 0.24 H new ATOM 0 HA HIS A 54 0.598 5.368 7.632 1.00 0.25 H new ATOM 0 HB2 HIS A 54 0.896 7.906 6.000 1.00 0.28 H new ATOM 0 HB3 HIS A 54 1.036 7.750 7.740 1.00 0.28 H new ATOM 0 HD2 HIS A 54 2.959 6.353 4.591 1.00 0.32 H new ATOM 0 HE1 HIS A 54 5.812 7.198 7.622 1.00 0.51 H new ATOM 0 HE2 HIS A 54 5.536 6.425 5.183 1.00 0.42 H new ATOM 686 N THR A 55 -1.943 5.477 7.509 1.00 0.23 N ATOM 687 CA THR A 55 -3.416 5.500 7.437 1.00 0.25 C ATOM 688 C THR A 55 -4.106 5.052 8.733 1.00 0.29 C ATOM 689 O THR A 55 -3.569 4.263 9.511 1.00 0.33 O ATOM 690 CB THR A 55 -3.898 4.630 6.265 1.00 0.24 C ATOM 691 OG1 THR A 55 -5.295 4.704 6.120 1.00 0.29 O ATOM 692 CG2 THR A 55 -3.566 3.144 6.398 1.00 0.23 C ATOM 0 H THR A 55 -1.581 4.783 8.163 1.00 0.23 H new ATOM 0 HA THR A 55 -3.697 6.542 7.281 1.00 0.25 H new ATOM 0 HB THR A 55 -3.365 5.037 5.406 1.00 0.24 H new ATOM 0 HG1 THR A 55 -5.621 5.540 6.515 1.00 0.29 H new ATOM 0 HG21 THR A 55 -3.943 2.608 5.527 1.00 0.23 H new ATOM 0 HG22 THR A 55 -2.485 3.017 6.462 1.00 0.23 H new ATOM 0 HG23 THR A 55 -4.032 2.746 7.299 1.00 0.23 H new ATOM 700 N THR A 56 -5.327 5.543 8.955 1.00 0.33 N ATOM 701 CA THR A 56 -6.225 5.115 10.044 1.00 0.36 C ATOM 702 C THR A 56 -7.037 3.860 9.693 1.00 0.33 C ATOM 703 O THR A 56 -7.601 3.222 10.585 1.00 0.46 O ATOM 704 CB THR A 56 -7.212 6.236 10.400 1.00 0.42 C ATOM 705 OG1 THR A 56 -8.000 6.473 9.258 1.00 0.50 O ATOM 706 CG2 THR A 56 -6.557 7.566 10.752 1.00 0.45 C ATOM 0 H THR A 56 -5.736 6.271 8.368 1.00 0.33 H new ATOM 0 HA THR A 56 -5.578 4.882 10.889 1.00 0.36 H new ATOM 0 HB THR A 56 -7.766 5.900 11.277 1.00 0.42 H new ATOM 0 HG1 THR A 56 -8.646 7.185 9.448 1.00 0.50 H new ATOM 0 HG21 THR A 56 -7.328 8.299 10.990 1.00 0.45 H new ATOM 0 HG22 THR A 56 -5.904 7.433 11.615 1.00 0.45 H new ATOM 0 HG23 THR A 56 -5.970 7.918 9.904 1.00 0.45 H new ATOM 714 N LEU A 57 -7.103 3.490 8.407 1.00 0.28 N ATOM 715 CA LEU A 57 -7.891 2.366 7.887 1.00 0.30 C ATOM 716 C LEU A 57 -7.472 1.012 8.485 1.00 0.34 C ATOM 717 O LEU A 57 -6.319 0.866 8.914 1.00 0.40 O ATOM 718 CB LEU A 57 -7.764 2.328 6.352 1.00 0.31 C ATOM 719 CG LEU A 57 -8.397 3.521 5.616 1.00 0.32 C ATOM 720 CD1 LEU A 57 -8.179 3.328 4.117 1.00 0.40 C ATOM 721 CD2 LEU A 57 -9.896 3.638 5.899 1.00 0.39 C ATOM 0 H LEU A 57 -6.591 3.983 7.675 1.00 0.28 H new ATOM 0 HA LEU A 57 -8.928 2.528 8.182 1.00 0.30 H new ATOM 0 HB2 LEU A 57 -6.707 2.280 6.091 1.00 0.31 H new ATOM 0 HB3 LEU A 57 -8.225 1.410 5.987 1.00 0.31 H new ATOM 0 HG LEU A 57 -7.925 4.438 5.969 1.00 0.32 H new ATOM 0 HD11 LEU A 57 -8.621 4.164 3.575 1.00 0.40 H new ATOM 0 HD12 LEU A 57 -7.110 3.284 3.908 1.00 0.40 H new ATOM 0 HD13 LEU A 57 -8.650 2.399 3.797 1.00 0.40 H new ATOM 0 HD21 LEU A 57 -10.302 4.493 5.360 1.00 0.39 H new ATOM 0 HD22 LEU A 57 -10.400 2.729 5.571 1.00 0.39 H new ATOM 0 HD23 LEU A 57 -10.055 3.775 6.969 1.00 0.39 H new ATOM 733 N PRO A 58 -8.366 0.003 8.481 1.00 0.40 N ATOM 734 CA PRO A 58 -8.022 -1.348 8.906 1.00 0.47 C ATOM 735 C PRO A 58 -7.138 -1.971 7.820 1.00 0.39 C ATOM 736 O PRO A 58 -7.430 -1.813 6.632 1.00 0.39 O ATOM 737 CB PRO A 58 -9.359 -2.097 9.070 1.00 0.63 C ATOM 738 CG PRO A 58 -10.440 -1.037 8.824 1.00 0.68 C ATOM 739 CD PRO A 58 -9.711 -0.053 7.918 1.00 0.50 C ATOM 0 HA PRO A 58 -7.469 -1.384 9.845 1.00 0.47 H new ATOM 0 HB2 PRO A 58 -9.442 -2.918 8.358 1.00 0.63 H new ATOM 0 HB3 PRO A 58 -9.450 -2.529 10.066 1.00 0.63 H new ATOM 0 HG2 PRO A 58 -11.323 -1.458 8.344 1.00 0.68 H new ATOM 0 HG3 PRO A 58 -10.773 -0.570 9.751 1.00 0.68 H new ATOM 0 HD2 PRO A 58 -9.698 -0.395 6.883 1.00 0.50 H new ATOM 0 HD3 PRO A 58 -10.189 0.927 7.924 1.00 0.50 H new ATOM 747 N SER A 59 -6.086 -2.714 8.166 1.00 0.39 N ATOM 748 CA SER A 59 -5.195 -3.310 7.148 1.00 0.39 C ATOM 749 C SER A 59 -5.919 -4.312 6.230 1.00 0.37 C ATOM 750 O SER A 59 -5.448 -4.571 5.124 1.00 0.37 O ATOM 751 CB SER A 59 -3.908 -3.905 7.749 1.00 0.46 C ATOM 752 OG SER A 59 -3.781 -3.638 9.134 1.00 0.86 O ATOM 0 H SER A 59 -5.825 -2.921 9.130 1.00 0.39 H new ATOM 0 HA SER A 59 -4.884 -2.479 6.515 1.00 0.39 H new ATOM 0 HB2 SER A 59 -3.901 -4.983 7.588 1.00 0.46 H new ATOM 0 HB3 SER A 59 -3.044 -3.498 7.223 1.00 0.46 H new ATOM 0 HG SER A 59 -2.959 -3.130 9.295 1.00 0.86 H new ATOM 758 N GLN A 60 -7.098 -4.804 6.625 1.00 0.47 N ATOM 759 CA GLN A 60 -8.059 -5.513 5.770 1.00 0.60 C ATOM 760 C GLN A 60 -8.503 -4.670 4.554 1.00 0.65 C ATOM 761 O GLN A 60 -8.490 -5.170 3.427 1.00 0.86 O ATOM 762 CB GLN A 60 -9.312 -5.894 6.583 1.00 0.78 C ATOM 763 CG GLN A 60 -9.076 -6.832 7.776 1.00 0.84 C ATOM 764 CD GLN A 60 -8.552 -6.147 9.018 1.00 1.33 C ATOM 765 OE1 GLN A 60 -7.356 -6.013 9.234 1.00 2.70 O ATOM 766 NE2 GLN A 60 -9.407 -5.688 9.885 1.00 1.92 N ATOM 0 H GLN A 60 -7.423 -4.716 7.588 1.00 0.47 H new ATOM 0 HA GLN A 60 -7.550 -6.404 5.402 1.00 0.60 H new ATOM 0 HB2 GLN A 60 -9.775 -4.979 6.951 1.00 0.78 H new ATOM 0 HB3 GLN A 60 -10.029 -6.366 5.911 1.00 0.78 H new ATOM 0 HG2 GLN A 60 -10.013 -7.332 8.020 1.00 0.84 H new ATOM 0 HG3 GLN A 60 -8.370 -7.607 7.478 1.00 0.84 H new ATOM 0 HE21 GLN A 60 -10.408 -5.792 9.719 1.00 1.92 H new ATOM 0 HE22 GLN A 60 -9.076 -5.224 10.731 1.00 1.92 H new ATOM 775 N GLU A 61 -8.841 -3.390 4.778 1.00 0.57 N ATOM 776 CA GLU A 61 -9.292 -2.443 3.748 1.00 0.61 C ATOM 777 C GLU A 61 -8.123 -2.032 2.845 1.00 0.58 C ATOM 778 O GLU A 61 -8.244 -2.026 1.625 1.00 0.67 O ATOM 779 CB GLU A 61 -9.949 -1.190 4.388 1.00 0.68 C ATOM 780 CG GLU A 61 -10.786 -0.444 3.340 1.00 1.18 C ATOM 781 CD GLU A 61 -11.406 0.915 3.721 1.00 1.92 C ATOM 782 OE1 GLU A 61 -12.118 1.026 4.750 1.00 2.07 O ATOM 783 OE2 GLU A 61 -11.340 1.855 2.889 1.00 3.30 O ATOM 0 H GLU A 61 -8.807 -2.974 5.709 1.00 0.57 H new ATOM 0 HA GLU A 61 -10.044 -2.944 3.138 1.00 0.61 H new ATOM 0 HB2 GLU A 61 -10.580 -1.488 5.225 1.00 0.68 H new ATOM 0 HB3 GLU A 61 -9.179 -0.530 4.788 1.00 0.68 H new ATOM 0 HG2 GLU A 61 -10.156 -0.286 2.465 1.00 1.18 H new ATOM 0 HG3 GLU A 61 -11.598 -1.104 3.034 1.00 1.18 H new ATOM 790 N VAL A 62 -6.955 -1.748 3.427 1.00 0.48 N ATOM 791 CA VAL A 62 -5.754 -1.355 2.699 1.00 0.44 C ATOM 792 C VAL A 62 -5.248 -2.513 1.843 1.00 0.42 C ATOM 793 O VAL A 62 -4.897 -2.288 0.690 1.00 0.44 O ATOM 794 CB VAL A 62 -4.660 -0.876 3.671 1.00 0.34 C ATOM 795 CG1 VAL A 62 -3.547 -0.165 2.903 1.00 0.37 C ATOM 796 CG2 VAL A 62 -5.153 0.103 4.740 1.00 0.43 C ATOM 0 H VAL A 62 -6.819 -1.787 4.437 1.00 0.48 H new ATOM 0 HA VAL A 62 -6.007 -0.525 2.040 1.00 0.44 H new ATOM 0 HB VAL A 62 -4.313 -1.782 4.168 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -2.779 0.169 3.601 1.00 0.37 H new ATOM 0 HG12 VAL A 62 -3.107 -0.853 2.181 1.00 0.37 H new ATOM 0 HG13 VAL A 62 -3.960 0.697 2.378 1.00 0.37 H new ATOM 0 HG21 VAL A 62 -4.320 0.390 5.382 1.00 0.43 H new ATOM 0 HG22 VAL A 62 -5.563 0.991 4.259 1.00 0.43 H new ATOM 0 HG23 VAL A 62 -5.927 -0.374 5.341 1.00 0.43 H new ATOM 806 N GLN A 63 -5.303 -3.757 2.333 1.00 0.42 N ATOM 807 CA GLN A 63 -5.033 -4.935 1.504 1.00 0.45 C ATOM 808 C GLN A 63 -5.978 -4.980 0.306 1.00 0.50 C ATOM 809 O GLN A 63 -5.511 -5.257 -0.787 1.00 0.48 O ATOM 810 CB GLN A 63 -5.122 -6.233 2.323 1.00 0.45 C ATOM 811 CG GLN A 63 -4.818 -7.461 1.443 1.00 0.59 C ATOM 812 CD GLN A 63 -5.022 -8.804 2.138 1.00 0.71 C ATOM 813 OE1 GLN A 63 -6.078 -9.090 2.693 1.00 1.57 O ATOM 814 NE2 GLN A 63 -4.069 -9.704 2.053 1.00 1.74 N ATOM 0 H GLN A 63 -5.533 -3.973 3.303 1.00 0.42 H new ATOM 0 HA GLN A 63 -4.012 -4.852 1.132 1.00 0.45 H new ATOM 0 HB2 GLN A 63 -4.417 -6.193 3.154 1.00 0.45 H new ATOM 0 HB3 GLN A 63 -6.118 -6.328 2.755 1.00 0.45 H new ATOM 0 HG2 GLN A 63 -5.453 -7.424 0.558 1.00 0.59 H new ATOM 0 HG3 GLN A 63 -3.786 -7.398 1.098 1.00 0.59 H new ATOM 0 HE21 GLN A 63 -3.189 -9.473 1.593 1.00 1.74 H new ATOM 0 HE22 GLN A 63 -4.209 -10.634 2.447 1.00 1.74 H new ATOM 823 N ALA A 64 -7.265 -4.671 0.459 1.00 0.59 N ATOM 824 CA ALA A 64 -8.206 -4.706 -0.654 1.00 0.67 C ATOM 825 C ALA A 64 -7.993 -3.514 -1.611 1.00 0.64 C ATOM 826 O ALA A 64 -8.216 -3.631 -2.818 1.00 0.68 O ATOM 827 CB ALA A 64 -9.624 -4.721 -0.069 1.00 0.85 C ATOM 0 H ALA A 64 -7.679 -4.393 1.349 1.00 0.59 H new ATOM 0 HA ALA A 64 -8.045 -5.603 -1.252 1.00 0.67 H new ATOM 0 HB1 ALA A 64 -10.352 -4.747 -0.880 1.00 0.85 H new ATOM 0 HB2 ALA A 64 -9.749 -5.603 0.559 1.00 0.85 H new ATOM 0 HB3 ALA A 64 -9.780 -3.824 0.530 1.00 0.85 H new ATOM 833 N LEU A 65 -7.501 -2.380 -1.096 1.00 0.62 N ATOM 834 CA LEU A 65 -7.067 -1.230 -1.889 1.00 0.64 C ATOM 835 C LEU A 65 -5.832 -1.546 -2.753 1.00 0.52 C ATOM 836 O LEU A 65 -5.733 -1.130 -3.910 1.00 0.63 O ATOM 837 CB LEU A 65 -6.812 -0.034 -0.961 1.00 0.71 C ATOM 838 CG LEU A 65 -8.097 0.685 -0.513 1.00 0.92 C ATOM 839 CD1 LEU A 65 -7.774 1.662 0.614 1.00 0.98 C ATOM 840 CD2 LEU A 65 -8.710 1.489 -1.661 1.00 1.14 C ATOM 0 H LEU A 65 -7.392 -2.236 -0.092 1.00 0.62 H new ATOM 0 HA LEU A 65 -7.866 -0.977 -2.586 1.00 0.64 H new ATOM 0 HB2 LEU A 65 -6.272 -0.378 -0.079 1.00 0.71 H new ATOM 0 HB3 LEU A 65 -6.166 0.680 -1.472 1.00 0.71 H new ATOM 0 HG LEU A 65 -8.802 -0.078 -0.182 1.00 0.92 H new ATOM 0 HD11 LEU A 65 -8.686 2.169 0.928 1.00 0.98 H new ATOM 0 HD12 LEU A 65 -7.352 1.117 1.458 1.00 0.98 H new ATOM 0 HD13 LEU A 65 -7.052 2.399 0.261 1.00 0.98 H new ATOM 0 HD21 LEU A 65 -9.616 1.986 -1.314 1.00 1.14 H new ATOM 0 HD22 LEU A 65 -7.995 2.237 -2.004 1.00 1.14 H new ATOM 0 HD23 LEU A 65 -8.956 0.818 -2.484 1.00 1.14 H new ATOM 852 N LEU A 66 -4.908 -2.320 -2.186 1.00 0.35 N ATOM 853 CA LEU A 66 -3.724 -2.872 -2.848 1.00 0.30 C ATOM 854 C LEU A 66 -4.098 -4.015 -3.816 1.00 0.30 C ATOM 855 O LEU A 66 -3.598 -4.060 -4.934 1.00 0.38 O ATOM 856 CB LEU A 66 -2.733 -3.325 -1.752 1.00 0.27 C ATOM 857 CG LEU A 66 -2.155 -2.174 -0.896 1.00 0.28 C ATOM 858 CD1 LEU A 66 -1.709 -2.676 0.481 1.00 0.24 C ATOM 859 CD2 LEU A 66 -0.951 -1.527 -1.587 1.00 0.34 C ATOM 0 H LEU A 66 -4.966 -2.593 -1.205 1.00 0.35 H new ATOM 0 HA LEU A 66 -3.249 -2.111 -3.467 1.00 0.30 H new ATOM 0 HB2 LEU A 66 -3.237 -4.033 -1.094 1.00 0.27 H new ATOM 0 HB3 LEU A 66 -1.909 -3.860 -2.224 1.00 0.27 H new ATOM 0 HG LEU A 66 -2.951 -1.439 -0.776 1.00 0.28 H new ATOM 0 HD11 LEU A 66 -1.307 -1.844 1.059 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -2.563 -3.104 1.006 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -0.939 -3.438 0.359 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -0.564 -0.721 -0.964 1.00 0.34 H new ATOM 0 HD22 LEU A 66 -0.173 -2.275 -1.738 1.00 0.34 H new ATOM 0 HD23 LEU A 66 -1.259 -1.124 -2.552 1.00 0.34 H new ATOM 871 N GLU A 67 -5.027 -4.900 -3.457 1.00 0.36 N ATOM 872 CA GLU A 67 -5.519 -6.013 -4.287 1.00 0.45 C ATOM 873 C GLU A 67 -6.329 -5.537 -5.507 1.00 0.43 C ATOM 874 O GLU A 67 -6.235 -6.137 -6.582 1.00 0.50 O ATOM 875 CB GLU A 67 -6.342 -6.975 -3.403 1.00 0.64 C ATOM 876 CG GLU A 67 -5.463 -7.986 -2.643 1.00 0.49 C ATOM 877 CD GLU A 67 -6.207 -9.284 -2.301 1.00 1.07 C ATOM 878 OE1 GLU A 67 -7.183 -9.276 -1.516 1.00 2.26 O ATOM 879 OE2 GLU A 67 -5.801 -10.359 -2.802 1.00 1.61 O ATOM 0 H GLU A 67 -5.480 -4.865 -2.544 1.00 0.36 H new ATOM 0 HA GLU A 67 -4.656 -6.539 -4.696 1.00 0.45 H new ATOM 0 HB2 GLU A 67 -6.923 -6.395 -2.686 1.00 0.64 H new ATOM 0 HB3 GLU A 67 -7.053 -7.516 -4.027 1.00 0.64 H new ATOM 0 HG2 GLU A 67 -4.587 -8.223 -3.246 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -5.102 -7.527 -1.723 1.00 0.49 H new ATOM 886 N GLY A 68 -7.036 -4.404 -5.404 1.00 0.42 N ATOM 887 CA GLY A 68 -7.723 -3.737 -6.525 1.00 0.47 C ATOM 888 C GLY A 68 -6.797 -3.279 -7.668 1.00 0.45 C ATOM 889 O GLY A 68 -7.264 -2.939 -8.758 1.00 0.62 O ATOM 0 H GLY A 68 -7.151 -3.911 -4.518 1.00 0.42 H new ATOM 0 HA2 GLY A 68 -8.470 -4.418 -6.932 1.00 0.47 H new ATOM 0 HA3 GLY A 68 -8.259 -2.869 -6.140 1.00 0.47 H new ATOM 893 N THR A 69 -5.476 -3.330 -7.466 1.00 0.38 N ATOM 894 CA THR A 69 -4.448 -3.070 -8.495 1.00 0.46 C ATOM 895 C THR A 69 -4.200 -4.280 -9.418 1.00 0.55 C ATOM 896 O THR A 69 -3.411 -4.188 -10.363 1.00 0.72 O ATOM 897 CB THR A 69 -3.148 -2.544 -7.854 1.00 0.51 C ATOM 898 OG1 THR A 69 -2.458 -3.564 -7.182 1.00 0.77 O ATOM 899 CG2 THR A 69 -3.451 -1.377 -6.917 1.00 0.66 C ATOM 0 H THR A 69 -5.075 -3.560 -6.557 1.00 0.38 H new ATOM 0 HA THR A 69 -4.838 -2.286 -9.145 1.00 0.46 H new ATOM 0 HB THR A 69 -2.499 -2.185 -8.653 1.00 0.51 H new ATOM 0 HG1 THR A 69 -2.641 -3.504 -6.221 1.00 0.77 H new ATOM 0 HG21 THR A 69 -2.523 -1.017 -6.472 1.00 0.66 H new ATOM 0 HG22 THR A 69 -3.920 -0.570 -7.480 1.00 0.66 H new ATOM 0 HG23 THR A 69 -4.126 -1.709 -6.128 1.00 0.66 H new ATOM 907 N GLY A 70 -4.888 -5.407 -9.177 1.00 0.52 N ATOM 908 CA GLY A 70 -4.813 -6.650 -9.963 1.00 0.66 C ATOM 909 C GLY A 70 -3.743 -7.644 -9.486 1.00 0.71 C ATOM 910 O GLY A 70 -3.295 -8.488 -10.268 1.00 0.91 O ATOM 0 H GLY A 70 -5.540 -5.481 -8.396 1.00 0.52 H new ATOM 0 HA2 GLY A 70 -5.785 -7.142 -9.935 1.00 0.66 H new ATOM 0 HA3 GLY A 70 -4.615 -6.395 -11.004 1.00 0.66 H new ATOM 914 N ARG A 71 -3.275 -7.505 -8.235 1.00 0.61 N ATOM 915 CA ARG A 71 -2.046 -8.103 -7.701 1.00 0.55 C ATOM 916 C ARG A 71 -2.265 -8.800 -6.357 1.00 0.59 C ATOM 917 O ARG A 71 -3.300 -8.635 -5.708 1.00 0.88 O ATOM 918 CB ARG A 71 -0.993 -6.990 -7.538 1.00 0.85 C ATOM 919 CG ARG A 71 -0.713 -6.224 -8.838 1.00 1.10 C ATOM 920 CD ARG A 71 0.212 -5.041 -8.568 1.00 0.77 C ATOM 921 NE ARG A 71 0.323 -4.195 -9.765 1.00 0.84 N ATOM 922 CZ ARG A 71 1.056 -4.416 -10.835 1.00 0.93 C ATOM 923 NH1 ARG A 71 1.948 -5.361 -10.903 1.00 2.36 N ATOM 924 NH2 ARG A 71 0.886 -3.657 -11.871 1.00 0.93 N ATOM 0 H ARG A 71 -3.768 -6.946 -7.538 1.00 0.61 H new ATOM 0 HA ARG A 71 -1.710 -8.866 -8.403 1.00 0.55 H new ATOM 0 HB2 ARG A 71 -1.332 -6.288 -6.776 1.00 0.85 H new ATOM 0 HB3 ARG A 71 -0.063 -7.429 -7.176 1.00 0.85 H new ATOM 0 HG2 ARG A 71 -0.257 -6.891 -9.570 1.00 1.10 H new ATOM 0 HG3 ARG A 71 -1.650 -5.871 -9.269 1.00 1.10 H new ATOM 0 HD2 ARG A 71 -0.172 -4.454 -7.734 1.00 0.77 H new ATOM 0 HD3 ARG A 71 1.199 -5.401 -8.277 1.00 0.77 H new ATOM 0 HE ARG A 71 -0.232 -3.339 -9.766 1.00 0.84 H new ATOM 0 HH11 ARG A 71 2.105 -5.973 -10.102 1.00 2.36 H new ATOM 0 HH12 ARG A 71 2.490 -5.490 -11.757 1.00 2.36 H new ATOM 0 HH21 ARG A 71 0.195 -2.907 -11.846 1.00 0.93 H new ATOM 0 HH22 ARG A 71 1.443 -3.809 -12.712 1.00 0.93 H new ATOM 938 N GLN A 72 -1.236 -9.517 -5.917 1.00 0.42 N ATOM 939 CA GLN A 72 -1.086 -9.982 -4.535 1.00 0.44 C ATOM 940 C GLN A 72 -0.525 -8.868 -3.640 1.00 0.35 C ATOM 941 O GLN A 72 0.329 -8.077 -4.053 1.00 0.34 O ATOM 942 CB GLN A 72 -0.197 -11.230 -4.490 1.00 0.50 C ATOM 943 CG GLN A 72 -0.223 -12.071 -3.197 1.00 1.38 C ATOM 944 CD GLN A 72 -1.166 -13.273 -3.288 1.00 1.96 C ATOM 945 OE1 GLN A 72 -0.758 -14.400 -3.534 1.00 2.92 O ATOM 946 NE2 GLN A 72 -2.451 -13.096 -3.114 1.00 2.73 N ATOM 0 H GLN A 72 -0.464 -9.799 -6.521 1.00 0.42 H new ATOM 0 HA GLN A 72 -2.070 -10.249 -4.149 1.00 0.44 H new ATOM 0 HB2 GLN A 72 -0.482 -11.877 -5.319 1.00 0.50 H new ATOM 0 HB3 GLN A 72 0.832 -10.918 -4.669 1.00 0.50 H new ATOM 0 HG2 GLN A 72 0.785 -12.422 -2.978 1.00 1.38 H new ATOM 0 HG3 GLN A 72 -0.528 -11.438 -2.364 1.00 1.38 H new ATOM 0 HE21 GLN A 72 -2.814 -12.165 -2.908 1.00 2.73 H new ATOM 0 HE22 GLN A 72 -3.089 -13.889 -3.184 1.00 2.73 H new ATOM 955 N ALA A 73 -1.003 -8.866 -2.402 1.00 0.37 N ATOM 956 CA ALA A 73 -0.674 -7.927 -1.325 1.00 0.31 C ATOM 957 C ALA A 73 -0.723 -8.632 0.044 1.00 0.43 C ATOM 958 O ALA A 73 -1.769 -9.124 0.466 1.00 0.67 O ATOM 959 CB ALA A 73 -1.671 -6.761 -1.383 1.00 0.37 C ATOM 0 H ALA A 73 -1.678 -9.567 -2.098 1.00 0.37 H new ATOM 0 HA ALA A 73 0.340 -7.548 -1.455 1.00 0.31 H new ATOM 0 HB1 ALA A 73 -1.445 -6.049 -0.589 1.00 0.37 H new ATOM 0 HB2 ALA A 73 -1.593 -6.264 -2.350 1.00 0.37 H new ATOM 0 HB3 ALA A 73 -2.684 -7.141 -1.251 1.00 0.37 H new ATOM 965 N VAL A 74 0.411 -8.661 0.746 1.00 0.36 N ATOM 966 CA VAL A 74 0.610 -9.361 2.024 1.00 0.42 C ATOM 967 C VAL A 74 1.261 -8.430 3.027 1.00 0.41 C ATOM 968 O VAL A 74 2.357 -7.923 2.813 1.00 0.40 O ATOM 969 CB VAL A 74 1.513 -10.592 1.843 1.00 0.48 C ATOM 970 CG1 VAL A 74 1.869 -11.279 3.170 1.00 0.54 C ATOM 971 CG2 VAL A 74 0.823 -11.625 0.960 1.00 0.54 C ATOM 0 H VAL A 74 1.252 -8.179 0.430 1.00 0.36 H new ATOM 0 HA VAL A 74 -0.367 -9.682 2.384 1.00 0.42 H new ATOM 0 HB VAL A 74 2.431 -10.224 1.386 1.00 0.48 H new ATOM 0 HG11 VAL A 74 2.508 -12.140 2.974 1.00 0.54 H new ATOM 0 HG12 VAL A 74 2.396 -10.575 3.814 1.00 0.54 H new ATOM 0 HG13 VAL A 74 0.956 -11.610 3.665 1.00 0.54 H new ATOM 0 HG21 VAL A 74 1.472 -12.492 0.839 1.00 0.54 H new ATOM 0 HG22 VAL A 74 -0.113 -11.934 1.425 1.00 0.54 H new ATOM 0 HG23 VAL A 74 0.615 -11.188 -0.017 1.00 0.54 H new ATOM 981 N LEU A 75 0.602 -8.214 4.150 1.00 0.43 N ATOM 982 CA LEU A 75 1.135 -7.383 5.224 1.00 0.42 C ATOM 983 C LEU A 75 2.262 -8.052 6.017 1.00 0.43 C ATOM 984 O LEU A 75 2.205 -9.238 6.370 1.00 0.51 O ATOM 985 CB LEU A 75 -0.015 -6.923 6.094 1.00 0.46 C ATOM 986 CG LEU A 75 0.337 -5.834 7.125 1.00 0.49 C ATOM 987 CD1 LEU A 75 1.247 -4.700 6.659 1.00 1.20 C ATOM 988 CD2 LEU A 75 -0.936 -5.080 7.322 1.00 0.87 C ATOM 0 H LEU A 75 -0.318 -8.608 4.348 1.00 0.43 H new ATOM 0 HA LEU A 75 1.618 -6.512 4.782 1.00 0.42 H new ATOM 0 HB2 LEU A 75 -0.810 -6.547 5.449 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -0.416 -7.787 6.624 1.00 0.46 H new ATOM 0 HG LEU A 75 0.812 -6.364 7.950 1.00 0.49 H new ATOM 0 HD11 LEU A 75 1.413 -4.005 7.482 1.00 1.20 H new ATOM 0 HD12 LEU A 75 2.202 -5.111 6.333 1.00 1.20 H new ATOM 0 HD13 LEU A 75 0.776 -4.173 5.829 1.00 1.20 H new ATOM 0 HD21 LEU A 75 -0.777 -4.280 8.045 1.00 0.87 H new ATOM 0 HD22 LEU A 75 -1.256 -4.652 6.372 1.00 0.87 H new ATOM 0 HD23 LEU A 75 -1.706 -5.757 7.693 1.00 0.87 H new ATOM 1000 N LYS A 76 3.272 -7.241 6.326 1.00 0.40 N ATOM 1001 CA LYS A 76 4.479 -7.631 7.080 1.00 0.41 C ATOM 1002 C LYS A 76 4.469 -7.129 8.529 1.00 0.43 C ATOM 1003 O LYS A 76 4.914 -7.843 9.431 1.00 0.50 O ATOM 1004 CB LYS A 76 5.738 -7.189 6.318 1.00 0.44 C ATOM 1005 CG LYS A 76 5.846 -7.748 4.884 1.00 0.48 C ATOM 1006 CD LYS A 76 6.083 -9.265 4.800 1.00 0.58 C ATOM 1007 CE LYS A 76 7.448 -9.649 5.382 1.00 1.47 C ATOM 1008 NZ LYS A 76 7.752 -11.081 5.174 1.00 1.55 N ATOM 0 H LYS A 76 3.280 -6.258 6.052 1.00 0.40 H new ATOM 0 HA LYS A 76 4.485 -8.718 7.157 1.00 0.41 H new ATOM 0 HB2 LYS A 76 5.756 -6.100 6.272 1.00 0.44 H new ATOM 0 HB3 LYS A 76 6.617 -7.499 6.883 1.00 0.44 H new ATOM 0 HG2 LYS A 76 4.930 -7.507 4.345 1.00 0.48 H new ATOM 0 HG3 LYS A 76 6.661 -7.238 4.371 1.00 0.48 H new ATOM 0 HD2 LYS A 76 5.295 -9.789 5.340 1.00 0.58 H new ATOM 0 HD3 LYS A 76 6.025 -9.587 3.760 1.00 0.58 H new ATOM 0 HE2 LYS A 76 8.225 -9.042 4.917 1.00 1.47 H new ATOM 0 HE3 LYS A 76 7.464 -9.426 6.449 1.00 1.47 H new ATOM 0 HZ1 LYS A 76 8.683 -11.301 5.582 1.00 1.55 H new ATOM 0 HZ2 LYS A 76 7.025 -11.661 5.639 1.00 1.55 H new ATOM 0 HZ3 LYS A 76 7.762 -11.289 4.155 1.00 1.55 H new ATOM 1022 N GLY A 77 3.845 -5.974 8.760 1.00 0.40 N ATOM 1023 CA GLY A 77 3.319 -5.549 10.051 1.00 0.39 C ATOM 1024 C GLY A 77 2.958 -4.066 10.105 1.00 0.50 C ATOM 1025 O GLY A 77 2.974 -3.345 9.106 1.00 0.52 O ATOM 0 H GLY A 77 3.688 -5.285 8.024 1.00 0.40 H new ATOM 0 HA2 GLY A 77 2.433 -6.139 10.285 1.00 0.39 H new ATOM 0 HA3 GLY A 77 4.058 -5.763 10.823 1.00 0.39 H new ATOM 1029 N MET A 78 2.618 -3.628 11.311 1.00 0.85 N ATOM 1030 CA MET A 78 2.370 -2.248 11.697 1.00 0.97 C ATOM 1031 C MET A 78 3.674 -1.633 12.212 1.00 1.18 C ATOM 1032 O MET A 78 4.383 -2.250 13.015 1.00 1.51 O ATOM 1033 CB MET A 78 1.286 -2.193 12.781 1.00 1.10 C ATOM 1034 CG MET A 78 -0.068 -2.735 12.311 1.00 1.11 C ATOM 1035 SD MET A 78 -0.245 -4.538 12.434 1.00 1.32 S ATOM 1036 CE MET A 78 -1.668 -4.731 11.336 1.00 1.23 C ATOM 0 H MET A 78 2.501 -4.270 12.095 1.00 0.85 H new ATOM 0 HA MET A 78 2.020 -1.681 10.835 1.00 0.97 H new ATOM 0 HB2 MET A 78 1.618 -2.766 13.647 1.00 1.10 H new ATOM 0 HB3 MET A 78 1.162 -1.161 13.110 1.00 1.10 H new ATOM 0 HG2 MET A 78 -0.856 -2.265 12.899 1.00 1.11 H new ATOM 0 HG3 MET A 78 -0.223 -2.438 11.274 1.00 1.11 H new ATOM 0 HE1 MET A 78 -1.940 -5.785 11.275 1.00 1.23 H new ATOM 0 HE2 MET A 78 -2.510 -4.161 11.728 1.00 1.23 H new ATOM 0 HE3 MET A 78 -1.413 -4.364 10.342 1.00 1.23 H new ATOM 1046 N GLY A 79 4.015 -0.434 11.753 1.00 1.15 N ATOM 1047 CA GLY A 79 5.359 0.121 11.910 1.00 1.32 C ATOM 1048 C GLY A 79 6.430 -0.793 11.303 1.00 2.20 C ATOM 1049 O GLY A 79 6.134 -1.649 10.467 1.00 3.78 O ATOM 0 H GLY A 79 3.369 0.183 11.261 1.00 1.15 H new ATOM 0 HA2 GLY A 79 5.405 1.100 11.434 1.00 1.32 H new ATOM 0 HA3 GLY A 79 5.568 0.272 12.969 1.00 1.32 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.721 -3.495 -14.397 1.00 0.94 CU