USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 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 45 MET CE :methyl 149:sc= -0.607 (180deg=-1.04) USER MOD Set 1.2: A 80 MET CE :methyl -118:sc= -0.256 (180deg=-1.57!) USER MOD Set 2.1: A 60 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot 87:sc= 0.0808 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.193 K(o=-2.9,f=-4.5!) USER MOD Set 3.2: A 85 MET CE :methyl -126:sc= -2.75! (180deg=-3.62!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0139) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 130:sc= -2.26 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.242 X(o=0.24,f=-0.073) USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 0.435 (180deg=-0.459) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.174 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= -0.056 (180deg=-0.145) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.37) USER MOD Single : A 47 MET CE :methyl -129:sc= -1.41 (180deg=-6.17!) USER MOD Single : A 50 GLN : amide:sc= -1.73! C(o=-1.7!,f=-4.9!) USER MOD Single : A 51 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 58 GLN :FLIP amide:sc= -0.733 F(o=-2.5!,f=-0.73) USER MOD Single : A 71 THR OG1 : rot -62:sc= 0.281 USER MOD Single : A 81 MET CE :methyl 147:sc= -3.05! (180deg=-5.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 68.656 19.059 4.253 1.00 4.98 N ATOM 2 CA ALA A 2 67.450 18.923 3.386 1.00 4.92 C ATOM 3 C ALA A 2 67.624 17.750 2.417 1.00 4.09 C ATOM 4 O ALA A 2 67.058 16.691 2.600 1.00 4.52 O ATOM 5 CB ALA A 2 67.360 20.243 2.619 1.00 5.75 C ATOM 0 HA ALA A 2 66.547 18.726 3.964 1.00 4.92 H new ATOM 0 HB1 ALA A 2 66.494 20.221 1.957 1.00 5.75 H new ATOM 0 HB2 ALA A 2 67.256 21.067 3.324 1.00 5.75 H new ATOM 0 HB3 ALA A 2 68.265 20.383 2.028 1.00 5.75 H new ATOM 13 N ASP A 3 68.407 17.930 1.388 1.00 3.31 N ATOM 14 CA ASP A 3 68.617 16.825 0.410 1.00 2.98 C ATOM 15 C ASP A 3 70.091 16.414 0.383 1.00 2.31 C ATOM 16 O ASP A 3 70.893 16.989 -0.325 1.00 2.93 O ATOM 17 CB ASP A 3 68.198 17.408 -0.940 1.00 3.17 C ATOM 18 CG ASP A 3 66.676 17.559 -0.982 1.00 3.95 C ATOM 19 OD1 ASP A 3 65.999 16.677 -0.481 1.00 4.60 O ATOM 20 OD2 ASP A 3 66.214 18.554 -1.516 1.00 4.32 O ATOM 0 H ASP A 3 68.910 18.793 1.183 1.00 3.31 H new ATOM 0 HA ASP A 3 68.045 15.933 0.665 1.00 2.98 H new ATOM 0 HB2 ASP A 3 68.674 18.376 -1.093 1.00 3.17 H new ATOM 0 HB3 ASP A 3 68.532 16.757 -1.748 1.00 3.17 H new ATOM 25 N ILE A 4 70.455 15.422 1.149 1.00 1.43 N ATOM 26 CA ILE A 4 71.877 14.976 1.166 1.00 1.28 C ATOM 27 C ILE A 4 72.032 13.675 0.374 1.00 1.13 C ATOM 28 O ILE A 4 72.826 13.585 -0.542 1.00 1.61 O ATOM 29 CB ILE A 4 72.205 14.746 2.642 1.00 1.66 C ATOM 30 CG1 ILE A 4 71.762 15.962 3.457 1.00 2.36 C ATOM 31 CG2 ILE A 4 73.713 14.549 2.803 1.00 1.86 C ATOM 32 CD1 ILE A 4 70.874 15.506 4.616 1.00 2.80 C ATOM 0 H ILE A 4 69.829 14.901 1.764 1.00 1.43 H new ATOM 0 HA ILE A 4 72.544 15.708 0.710 1.00 1.28 H new ATOM 0 HB ILE A 4 71.681 13.859 2.997 1.00 1.66 H new ATOM 0 HG12 ILE A 4 72.633 16.493 3.840 1.00 2.36 H new ATOM 0 HG13 ILE A 4 71.218 16.660 2.821 1.00 2.36 H new ATOM 0 HG21 ILE A 4 73.948 14.385 3.855 1.00 1.86 H new ATOM 0 HG22 ILE A 4 74.031 13.684 2.221 1.00 1.86 H new ATOM 0 HG23 ILE A 4 74.236 15.437 2.449 1.00 1.86 H new ATOM 0 HD11 ILE A 4 70.559 16.373 5.196 1.00 2.80 H new ATOM 0 HD12 ILE A 4 69.996 14.994 4.222 1.00 2.80 H new ATOM 0 HD13 ILE A 4 71.434 14.825 5.257 1.00 2.80 H new ATOM 44 N TYR A 5 71.280 12.667 0.718 1.00 0.88 N ATOM 45 CA TYR A 5 71.386 11.371 -0.016 1.00 0.86 C ATOM 46 C TYR A 5 70.470 11.385 -1.242 1.00 0.78 C ATOM 47 O TYR A 5 70.888 11.093 -2.345 1.00 0.79 O ATOM 48 CB TYR A 5 70.925 10.302 0.979 1.00 1.02 C ATOM 49 CG TYR A 5 71.490 10.601 2.347 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.871 10.753 2.516 1.00 1.64 C ATOM 51 CD2 TYR A 5 70.632 10.731 3.445 1.00 1.94 C ATOM 52 CE1 TYR A 5 73.395 11.033 3.782 1.00 1.80 C ATOM 53 CE2 TYR A 5 71.155 11.011 4.712 1.00 2.20 C ATOM 54 CZ TYR A 5 72.536 11.163 4.881 1.00 1.77 C ATOM 55 OH TYR A 5 73.052 11.438 6.131 1.00 2.07 O ATOM 0 H TYR A 5 70.596 12.683 1.475 1.00 0.88 H new ATOM 0 HA TYR A 5 72.399 11.184 -0.371 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.836 10.277 1.022 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.253 9.317 0.647 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.533 10.654 1.668 1.00 1.64 H new ATOM 0 HD2 TYR A 5 69.566 10.615 3.314 1.00 1.94 H new ATOM 0 HE1 TYR A 5 74.461 11.149 3.912 1.00 1.80 H new ATOM 0 HE2 TYR A 5 70.493 11.110 5.560 1.00 2.20 H new ATOM 0 HH TYR A 5 72.321 11.497 6.781 1.00 2.07 H new ATOM 65 N LYS A 6 69.223 11.722 -1.057 1.00 0.89 N ATOM 66 CA LYS A 6 68.279 11.755 -2.211 1.00 1.01 C ATOM 67 C LYS A 6 68.932 12.451 -3.407 1.00 0.98 C ATOM 68 O LYS A 6 68.859 11.982 -4.526 1.00 1.00 O ATOM 69 CB LYS A 6 67.077 12.557 -1.713 1.00 1.28 C ATOM 70 CG LYS A 6 65.788 11.938 -2.256 1.00 1.60 C ATOM 71 CD LYS A 6 65.923 11.719 -3.764 1.00 2.04 C ATOM 72 CE LYS A 6 64.656 11.045 -4.297 1.00 2.60 C ATOM 73 NZ LYS A 6 64.670 11.308 -5.763 1.00 3.24 N ATOM 0 H LYS A 6 68.817 11.976 -0.157 1.00 0.89 H new ATOM 0 HA LYS A 6 67.994 10.757 -2.543 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.058 12.564 -0.623 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.159 13.594 -2.037 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.589 10.990 -1.756 1.00 1.60 H new ATOM 0 HG3 LYS A 6 64.942 12.592 -2.047 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.080 12.673 -4.268 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.794 11.099 -3.976 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.659 9.975 -4.087 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.762 11.458 -3.830 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.806 10.921 -6.193 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.711 12.333 -5.931 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.503 10.854 -6.189 1.00 3.24 H new ATOM 87 N ALA A 7 69.572 13.565 -3.182 1.00 1.07 N ATOM 88 CA ALA A 7 70.230 14.288 -4.307 1.00 1.20 C ATOM 89 C ALA A 7 71.231 13.368 -5.010 1.00 1.08 C ATOM 90 O ALA A 7 71.349 13.371 -6.220 1.00 1.19 O ATOM 91 CB ALA A 7 70.951 15.468 -3.653 1.00 1.36 C ATOM 0 H ALA A 7 69.668 14.006 -2.267 1.00 1.07 H new ATOM 0 HA ALA A 7 69.516 14.617 -5.062 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.462 16.052 -4.419 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.225 16.099 -3.140 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.680 15.095 -2.934 1.00 1.36 H new ATOM 97 N ALA A 8 71.952 12.579 -4.262 1.00 0.95 N ATOM 98 CA ALA A 8 72.943 11.658 -4.888 1.00 0.96 C ATOM 99 C ALA A 8 72.216 10.540 -5.643 1.00 0.90 C ATOM 100 O ALA A 8 72.445 10.319 -6.814 1.00 1.01 O ATOM 101 CB ALA A 8 73.743 11.082 -3.720 1.00 0.98 C ATOM 0 H ALA A 8 71.898 12.532 -3.245 1.00 0.95 H new ATOM 0 HA ALA A 8 73.584 12.167 -5.608 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.496 10.392 -4.100 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.233 11.892 -3.180 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.071 10.551 -3.046 1.00 0.98 H new ATOM 107 N VAL A 9 71.340 9.837 -4.978 1.00 0.83 N ATOM 108 CA VAL A 9 70.598 8.737 -5.657 1.00 0.82 C ATOM 109 C VAL A 9 69.956 9.254 -6.948 1.00 0.97 C ATOM 110 O VAL A 9 69.636 8.495 -7.841 1.00 1.02 O ATOM 111 CB VAL A 9 69.526 8.307 -4.656 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.520 7.385 -5.347 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.190 7.560 -3.498 1.00 0.70 C ATOM 0 H VAL A 9 71.106 9.977 -3.995 1.00 0.83 H new ATOM 0 HA VAL A 9 71.248 7.908 -5.936 1.00 0.82 H new ATOM 0 HB VAL A 9 69.007 9.187 -4.276 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.756 7.079 -4.632 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.050 7.915 -6.176 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.036 6.503 -5.726 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.430 7.251 -2.781 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.706 6.680 -3.881 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.908 8.216 -3.006 1.00 0.70 H new ATOM 123 N GLU A 10 69.766 10.541 -7.051 1.00 1.12 N ATOM 124 CA GLU A 10 69.148 11.107 -8.284 1.00 1.32 C ATOM 125 C GLU A 10 70.146 11.056 -9.442 1.00 1.37 C ATOM 126 O GLU A 10 69.800 10.729 -10.560 1.00 1.56 O ATOM 127 CB GLU A 10 68.814 12.557 -7.930 1.00 1.51 C ATOM 128 CG GLU A 10 67.301 12.768 -8.011 1.00 1.80 C ATOM 129 CD GLU A 10 66.993 14.266 -8.010 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.790 15.014 -7.468 1.00 2.28 O ATOM 131 OE2 GLU A 10 65.966 14.640 -8.551 1.00 2.61 O ATOM 0 H GLU A 10 70.012 11.225 -6.335 1.00 1.12 H new ATOM 0 HA GLU A 10 68.265 10.550 -8.598 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.171 12.789 -6.926 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.323 13.236 -8.614 1.00 1.51 H new ATOM 0 HG2 GLU A 10 66.907 12.306 -8.916 1.00 1.80 H new ATOM 0 HG3 GLU A 10 66.810 12.285 -7.166 1.00 1.80 H new ATOM 138 N GLN A 11 71.385 11.376 -9.183 1.00 1.29 N ATOM 139 CA GLN A 11 72.407 11.346 -10.268 1.00 1.45 C ATOM 140 C GLN A 11 73.036 9.954 -10.363 1.00 1.35 C ATOM 141 O GLN A 11 74.079 9.773 -10.960 1.00 1.53 O ATOM 142 CB GLN A 11 73.453 12.382 -9.855 1.00 1.61 C ATOM 143 CG GLN A 11 72.968 13.781 -10.242 1.00 2.13 C ATOM 144 CD GLN A 11 74.059 14.806 -9.924 1.00 2.44 C ATOM 145 OE1 GLN A 11 74.934 15.049 -10.731 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.042 15.423 -8.774 1.00 2.71 N ATOM 0 H GLN A 11 71.734 11.657 -8.267 1.00 1.29 H new ATOM 0 HA GLN A 11 71.979 11.567 -11.246 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.627 12.330 -8.780 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.404 12.168 -10.342 1.00 1.61 H new ATOM 0 HG2 GLN A 11 72.724 13.812 -11.304 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.056 14.025 -9.698 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.307 15.219 -8.097 1.00 2.71 H new ATOM 0 HE22 GLN A 11 74.763 16.109 -8.553 1.00 2.71 H new ATOM 155 N LEU A 12 72.411 8.969 -9.777 1.00 1.18 N ATOM 156 CA LEU A 12 72.974 7.588 -9.834 1.00 1.21 C ATOM 157 C LEU A 12 73.024 7.096 -11.283 1.00 1.11 C ATOM 158 O LEU A 12 72.251 7.519 -12.120 1.00 1.25 O ATOM 159 CB LEU A 12 72.009 6.734 -9.012 1.00 1.32 C ATOM 160 CG LEU A 12 72.660 6.364 -7.679 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.746 5.408 -6.914 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.006 5.684 -7.941 1.00 1.68 C ATOM 0 H LEU A 12 71.536 9.060 -9.261 1.00 1.18 H new ATOM 0 HA LEU A 12 73.992 7.541 -9.448 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.083 7.281 -8.836 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.747 5.831 -9.563 1.00 1.32 H new ATOM 0 HG LEU A 12 72.818 7.266 -7.088 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.210 5.144 -5.964 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.787 5.892 -6.728 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.588 4.505 -7.504 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.471 5.420 -6.991 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.849 4.781 -8.532 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.658 6.366 -8.487 1.00 1.68 H new ATOM 174 N THR A 13 73.927 6.203 -11.585 1.00 1.05 N ATOM 175 CA THR A 13 74.024 5.684 -12.979 1.00 1.13 C ATOM 176 C THR A 13 72.872 4.716 -13.262 1.00 0.94 C ATOM 177 O THR A 13 72.517 3.899 -12.435 1.00 0.87 O ATOM 178 CB THR A 13 75.365 4.952 -13.039 1.00 1.38 C ATOM 179 OG1 THR A 13 75.355 3.876 -12.110 1.00 1.89 O ATOM 180 CG2 THR A 13 76.495 5.922 -12.689 1.00 1.68 C ATOM 0 H THR A 13 74.601 5.811 -10.927 1.00 1.05 H new ATOM 0 HA THR A 13 73.962 6.480 -13.721 1.00 1.13 H new ATOM 0 HB THR A 13 75.524 4.563 -14.045 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.647 3.055 -12.558 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.450 5.399 -12.732 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.500 6.747 -13.402 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.341 6.313 -11.683 1.00 1.68 H new ATOM 188 N GLU A 14 72.285 4.801 -14.424 1.00 0.94 N ATOM 189 CA GLU A 14 71.156 3.886 -14.760 1.00 0.90 C ATOM 190 C GLU A 14 71.510 2.445 -14.379 1.00 0.82 C ATOM 191 O GLU A 14 70.650 1.645 -14.071 1.00 0.82 O ATOM 192 CB GLU A 14 70.981 4.012 -16.273 1.00 1.05 C ATOM 193 CG GLU A 14 69.760 3.204 -16.717 1.00 2.10 C ATOM 194 CD GLU A 14 70.159 2.258 -17.850 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.089 1.492 -17.657 1.00 3.31 O ATOM 196 OE2 GLU A 14 69.527 2.314 -18.893 1.00 2.91 O ATOM 0 H GLU A 14 72.538 5.465 -15.156 1.00 0.94 H new ATOM 0 HA GLU A 14 70.244 4.142 -14.221 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.857 5.059 -16.549 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.874 3.651 -16.784 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.362 2.635 -15.877 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.968 3.875 -17.051 1.00 2.10 H new ATOM 203 N GLU A 15 72.771 2.109 -14.402 1.00 0.92 N ATOM 204 CA GLU A 15 73.181 0.722 -14.045 1.00 1.01 C ATOM 205 C GLU A 15 72.946 0.465 -12.553 1.00 0.90 C ATOM 206 O GLU A 15 72.742 -0.657 -12.132 1.00 0.89 O ATOM 207 CB GLU A 15 74.672 0.655 -14.373 1.00 1.23 C ATOM 208 CG GLU A 15 75.114 -0.808 -14.449 1.00 1.92 C ATOM 209 CD GLU A 15 75.462 -1.310 -13.046 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.287 -0.682 -12.402 1.00 2.80 O ATOM 211 OE2 GLU A 15 74.898 -2.313 -12.640 1.00 2.90 O ATOM 0 H GLU A 15 73.535 2.736 -14.653 1.00 0.92 H new ATOM 0 HA GLU A 15 72.609 -0.030 -14.588 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.869 1.155 -15.321 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.247 1.180 -13.610 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.318 -1.417 -14.878 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.978 -0.904 -15.106 1.00 1.92 H new ATOM 218 N GLN A 16 72.971 1.495 -11.751 1.00 0.89 N ATOM 219 CA GLN A 16 72.749 1.305 -10.289 1.00 0.87 C ATOM 220 C GLN A 16 71.253 1.173 -9.995 1.00 0.68 C ATOM 221 O GLN A 16 70.821 0.258 -9.321 1.00 0.67 O ATOM 222 CB GLN A 16 73.316 2.567 -9.637 1.00 0.97 C ATOM 223 CG GLN A 16 74.839 2.576 -9.781 1.00 1.77 C ATOM 224 CD GLN A 16 75.466 1.809 -8.616 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.304 0.610 -8.505 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.182 2.454 -7.737 1.00 2.61 N ATOM 0 H GLN A 16 73.135 2.458 -12.044 1.00 0.89 H new ATOM 0 HA GLN A 16 73.227 0.401 -9.911 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.891 3.454 -10.106 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.040 2.600 -8.583 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.128 2.120 -10.728 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.208 3.602 -9.795 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.318 3.461 -7.830 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.606 1.952 -6.957 1.00 2.61 H new ATOM 235 N LYS A 17 70.457 2.080 -10.493 1.00 0.63 N ATOM 236 CA LYS A 17 68.990 2.003 -10.242 1.00 0.62 C ATOM 237 C LYS A 17 68.425 0.701 -10.816 1.00 0.60 C ATOM 238 O LYS A 17 67.573 0.068 -10.225 1.00 0.66 O ATOM 239 CB LYS A 17 68.401 3.212 -10.969 1.00 0.74 C ATOM 240 CG LYS A 17 67.629 4.081 -9.975 1.00 1.21 C ATOM 241 CD LYS A 17 68.507 5.254 -9.533 1.00 1.31 C ATOM 242 CE LYS A 17 68.700 6.219 -10.707 1.00 1.43 C ATOM 243 NZ LYS A 17 67.685 7.287 -10.497 1.00 2.06 N ATOM 0 H LYS A 17 70.759 2.870 -11.062 1.00 0.63 H new ATOM 0 HA LYS A 17 68.750 2.011 -9.179 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.197 3.793 -11.434 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.739 2.881 -11.769 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.713 4.452 -10.435 1.00 1.21 H new ATOM 0 HG3 LYS A 17 67.334 3.488 -9.110 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.043 5.773 -8.694 1.00 1.31 H new ATOM 0 HD3 LYS A 17 69.474 4.888 -9.187 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.709 6.630 -10.718 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.551 5.714 -11.662 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 67.755 7.987 -11.263 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.734 6.867 -10.498 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.856 7.754 -9.584 1.00 2.06 H new ATOM 257 N ASN A 18 68.897 0.294 -11.963 1.00 0.70 N ATOM 258 CA ASN A 18 68.389 -0.967 -12.574 1.00 0.85 C ATOM 259 C ASN A 18 68.407 -2.098 -11.541 1.00 0.70 C ATOM 260 O ASN A 18 67.396 -2.703 -11.250 1.00 0.66 O ATOM 261 CB ASN A 18 69.356 -1.272 -13.718 1.00 1.11 C ATOM 262 CG ASN A 18 68.668 -1.006 -15.058 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.641 -1.585 -15.351 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.194 -0.149 -15.888 1.00 2.13 N ATOM 0 H ASN A 18 69.612 0.780 -12.503 1.00 0.70 H new ATOM 0 HA ASN A 18 67.361 -0.871 -12.924 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.249 -0.653 -13.627 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.681 -2.311 -13.665 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.743 0.036 -16.784 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.056 0.337 -15.641 1.00 2.13 H new ATOM 271 N GLU A 19 69.554 -2.387 -10.989 1.00 0.76 N ATOM 272 CA GLU A 19 69.643 -3.480 -9.977 1.00 0.79 C ATOM 273 C GLU A 19 68.778 -3.148 -8.757 1.00 0.65 C ATOM 274 O GLU A 19 68.078 -3.991 -8.233 1.00 0.66 O ATOM 275 CB GLU A 19 71.120 -3.539 -9.587 1.00 0.98 C ATOM 276 CG GLU A 19 71.385 -4.807 -8.776 1.00 1.21 C ATOM 277 CD GLU A 19 72.538 -4.558 -7.802 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.711 -3.420 -7.398 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.228 -5.510 -7.477 1.00 2.53 O ATOM 0 H GLU A 19 70.434 -1.914 -11.195 1.00 0.76 H new ATOM 0 HA GLU A 19 69.285 -4.433 -10.368 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.743 -3.530 -10.481 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.388 -2.659 -9.003 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.488 -5.095 -8.228 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.630 -5.633 -9.443 1.00 1.21 H new ATOM 286 N PHE A 20 68.821 -1.925 -8.301 1.00 0.67 N ATOM 287 CA PHE A 20 68.002 -1.545 -7.114 1.00 0.75 C ATOM 288 C PHE A 20 66.510 -1.643 -7.445 1.00 0.66 C ATOM 289 O PHE A 20 65.757 -2.316 -6.769 1.00 0.79 O ATOM 290 CB PHE A 20 68.392 -0.098 -6.809 1.00 0.97 C ATOM 291 CG PHE A 20 69.869 -0.024 -6.501 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.506 -1.086 -5.846 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.604 1.110 -6.870 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.875 -1.014 -5.560 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.972 1.181 -6.584 1.00 3.29 C ATOM 296 CZ PHE A 20 72.608 0.120 -5.929 1.00 3.69 C ATOM 0 H PHE A 20 69.386 -1.174 -8.698 1.00 0.67 H new ATOM 0 HA PHE A 20 68.180 -2.202 -6.263 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.156 0.540 -7.661 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.815 0.274 -5.962 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.941 -1.961 -5.561 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.115 1.930 -7.375 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.365 -1.833 -5.055 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.538 2.056 -6.869 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.664 0.176 -5.708 1.00 3.69 H new ATOM 306 N LYS A 21 66.075 -0.978 -8.481 1.00 0.60 N ATOM 307 CA LYS A 21 64.631 -1.038 -8.850 1.00 0.65 C ATOM 308 C LYS A 21 64.246 -2.465 -9.251 1.00 0.57 C ATOM 309 O LYS A 21 63.151 -2.920 -8.986 1.00 0.57 O ATOM 310 CB LYS A 21 64.485 -0.087 -10.039 1.00 0.78 C ATOM 311 CG LYS A 21 63.519 1.042 -9.673 1.00 1.27 C ATOM 312 CD LYS A 21 62.249 0.448 -9.061 1.00 1.58 C ATOM 313 CE LYS A 21 62.137 0.878 -7.597 1.00 2.42 C ATOM 314 NZ LYS A 21 60.779 1.478 -7.474 1.00 2.88 N ATOM 0 H LYS A 21 66.655 -0.397 -9.086 1.00 0.60 H new ATOM 0 HA LYS A 21 63.981 -0.756 -8.022 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.457 0.325 -10.310 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.115 -0.629 -10.909 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.991 1.724 -8.966 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.270 1.624 -10.560 1.00 1.27 H new ATOM 0 HD2 LYS A 21 61.374 0.783 -9.617 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.274 -0.640 -9.131 1.00 1.58 H new ATOM 0 HE2 LYS A 21 62.255 0.027 -6.926 1.00 2.42 H new ATOM 0 HE3 LYS A 21 62.912 1.599 -7.337 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 60.816 2.290 -6.826 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 60.454 1.796 -8.409 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 60.118 0.767 -7.101 1.00 2.88 H new ATOM 328 N ALA A 22 65.139 -3.173 -9.885 1.00 0.59 N ATOM 329 CA ALA A 22 64.827 -4.570 -10.300 1.00 0.62 C ATOM 330 C ALA A 22 64.692 -5.464 -9.066 1.00 0.50 C ATOM 331 O ALA A 22 63.694 -6.128 -8.874 1.00 0.50 O ATOM 332 CB ALA A 22 66.020 -5.008 -11.152 1.00 0.76 C ATOM 0 H ALA A 22 66.072 -2.845 -10.134 1.00 0.59 H new ATOM 0 HA ALA A 22 63.889 -4.639 -10.850 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.865 -6.030 -11.497 1.00 0.76 H new ATOM 0 HB2 ALA A 22 66.115 -4.346 -12.012 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.931 -4.961 -10.555 1.00 0.76 H new ATOM 338 N ALA A 23 65.689 -5.478 -8.223 1.00 0.50 N ATOM 339 CA ALA A 23 65.611 -6.323 -6.997 1.00 0.53 C ATOM 340 C ALA A 23 64.325 -6.008 -6.233 1.00 0.46 C ATOM 341 O ALA A 23 63.573 -6.890 -5.869 1.00 0.52 O ATOM 342 CB ALA A 23 66.836 -5.935 -6.170 1.00 0.64 C ATOM 0 H ALA A 23 66.551 -4.943 -8.329 1.00 0.50 H new ATOM 0 HA ALA A 23 65.598 -7.389 -7.224 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.851 -6.515 -5.248 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.741 -6.139 -6.742 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.791 -4.873 -5.930 1.00 0.64 H new ATOM 348 N PHE A 24 64.062 -4.752 -5.994 1.00 0.47 N ATOM 349 CA PHE A 24 62.820 -4.377 -5.260 1.00 0.57 C ATOM 350 C PHE A 24 61.623 -5.121 -5.854 1.00 0.48 C ATOM 351 O PHE A 24 60.861 -5.756 -5.151 1.00 0.51 O ATOM 352 CB PHE A 24 62.675 -2.870 -5.474 1.00 0.77 C ATOM 353 CG PHE A 24 61.567 -2.338 -4.596 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.245 -2.746 -4.809 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.863 -1.436 -3.567 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.219 -2.250 -3.995 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.837 -0.941 -2.753 1.00 1.62 C ATOM 358 CZ PHE A 24 59.516 -1.348 -2.967 1.00 1.25 C ATOM 0 H PHE A 24 64.653 -3.970 -6.275 1.00 0.47 H new ATOM 0 HA PHE A 24 62.866 -4.634 -4.202 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.613 -2.367 -5.238 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.455 -2.661 -6.521 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.016 -3.443 -5.601 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.883 -1.122 -3.401 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.199 -2.563 -4.161 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.066 -0.245 -1.960 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.725 -0.966 -2.339 1.00 1.25 H new ATOM 368 N ASP A 25 61.453 -5.051 -7.146 1.00 0.45 N ATOM 369 CA ASP A 25 60.308 -5.756 -7.788 1.00 0.53 C ATOM 370 C ASP A 25 60.470 -7.270 -7.637 1.00 0.52 C ATOM 371 O ASP A 25 59.520 -8.021 -7.744 1.00 0.60 O ATOM 372 CB ASP A 25 60.374 -5.356 -9.262 1.00 0.66 C ATOM 373 CG ASP A 25 60.262 -3.835 -9.384 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.381 -3.273 -8.755 1.00 1.55 O ATOM 375 OD2 ASP A 25 61.060 -3.258 -10.105 1.00 1.52 O ATOM 0 H ASP A 25 62.058 -4.536 -7.785 1.00 0.45 H new ATOM 0 HA ASP A 25 59.353 -5.491 -7.335 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.311 -5.699 -9.701 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.568 -5.836 -9.816 1.00 0.66 H new ATOM 380 N ILE A 26 61.667 -7.725 -7.387 1.00 0.50 N ATOM 381 CA ILE A 26 61.890 -9.191 -7.228 1.00 0.63 C ATOM 382 C ILE A 26 61.889 -9.566 -5.743 1.00 0.70 C ATOM 383 O ILE A 26 61.801 -10.724 -5.384 1.00 0.94 O ATOM 384 CB ILE A 26 63.263 -9.452 -7.846 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.265 -8.965 -9.298 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.563 -10.952 -7.812 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.709 -8.827 -9.787 1.00 0.69 C ATOM 0 H ILE A 26 62.500 -7.146 -7.286 1.00 0.50 H new ATOM 0 HA ILE A 26 61.110 -9.783 -7.706 1.00 0.63 H new ATOM 0 HB ILE A 26 64.025 -8.918 -7.279 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.721 -9.668 -9.929 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.751 -8.007 -9.372 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.542 -11.137 -8.253 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.558 -11.301 -6.779 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.802 -11.488 -8.379 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.712 -8.480 -10.820 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.238 -8.108 -9.162 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.207 -9.795 -9.728 1.00 0.69 H new ATOM 399 N PHE A 27 61.987 -8.595 -4.876 1.00 0.61 N ATOM 400 CA PHE A 27 61.991 -8.896 -3.416 1.00 0.79 C ATOM 401 C PHE A 27 60.647 -8.512 -2.793 1.00 0.76 C ATOM 402 O PHE A 27 60.231 -9.072 -1.799 1.00 1.03 O ATOM 403 CB PHE A 27 63.116 -8.039 -2.836 1.00 0.91 C ATOM 404 CG PHE A 27 64.442 -8.722 -3.068 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.698 -9.969 -2.487 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.413 -8.109 -3.867 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.927 -10.604 -2.703 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.643 -8.743 -4.083 1.00 3.07 C ATOM 409 CZ PHE A 27 66.900 -9.990 -3.501 1.00 3.21 C ATOM 0 H PHE A 27 62.064 -7.607 -5.116 1.00 0.61 H new ATOM 0 HA PHE A 27 62.143 -9.956 -3.214 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.115 -7.055 -3.304 1.00 0.91 H new ATOM 0 HB3 PHE A 27 62.956 -7.885 -1.769 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.947 -10.442 -1.872 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.214 -7.148 -4.317 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.124 -11.566 -2.255 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.393 -8.270 -4.699 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.849 -10.478 -3.668 1.00 3.21 H new ATOM 419 N VAL A 28 59.964 -7.560 -3.369 1.00 0.63 N ATOM 420 CA VAL A 28 58.651 -7.143 -2.810 1.00 0.65 C ATOM 421 C VAL A 28 57.565 -8.138 -3.236 1.00 0.65 C ATOM 422 O VAL A 28 56.434 -8.063 -2.799 1.00 0.74 O ATOM 423 CB VAL A 28 58.410 -5.748 -3.399 1.00 0.68 C ATOM 424 CG1 VAL A 28 56.914 -5.504 -3.614 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.957 -4.701 -2.430 1.00 1.47 C ATOM 0 H VAL A 28 60.261 -7.054 -4.203 1.00 0.63 H new ATOM 0 HA VAL A 28 58.632 -7.122 -1.720 1.00 0.65 H new ATOM 0 HB VAL A 28 58.917 -5.677 -4.362 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.764 -4.509 -4.032 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.519 -6.251 -4.303 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.392 -5.579 -2.660 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.791 -3.704 -2.839 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.445 -4.790 -1.472 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.026 -4.861 -2.287 1.00 1.47 H new ATOM 435 N LEU A 29 57.904 -9.072 -4.080 1.00 0.92 N ATOM 436 CA LEU A 29 56.895 -10.073 -4.525 1.00 0.99 C ATOM 437 C LEU A 29 56.198 -10.688 -3.311 1.00 0.99 C ATOM 438 O LEU A 29 55.047 -11.071 -3.368 1.00 1.10 O ATOM 439 CB LEU A 29 57.706 -11.136 -5.258 1.00 1.43 C ATOM 440 CG LEU A 29 58.343 -10.526 -6.507 1.00 1.74 C ATOM 441 CD1 LEU A 29 59.182 -11.585 -7.223 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.243 -10.028 -7.447 1.00 2.45 C ATOM 0 H LEU A 29 58.835 -9.185 -4.481 1.00 0.92 H new ATOM 0 HA LEU A 29 56.121 -9.634 -5.154 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.479 -11.535 -4.601 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.063 -11.971 -5.536 1.00 1.43 H new ATOM 0 HG LEU A 29 58.982 -9.692 -6.218 1.00 1.74 H new ATOM 0 HD11 LEU A 29 59.636 -11.149 -8.113 1.00 2.11 H new ATOM 0 HD12 LEU A 29 59.965 -11.942 -6.554 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.544 -12.420 -7.513 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.695 -9.593 -8.338 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.605 -10.863 -7.735 1.00 2.45 H new ATOM 0 HD23 LEU A 29 56.644 -9.273 -6.938 1.00 2.45 H new ATOM 454 N GLY A 30 56.893 -10.783 -2.211 1.00 1.16 N ATOM 455 CA GLY A 30 56.277 -11.369 -0.987 1.00 1.58 C ATOM 456 C GLY A 30 56.085 -10.271 0.056 1.00 1.39 C ATOM 457 O GLY A 30 55.661 -10.523 1.166 1.00 1.89 O ATOM 0 H GLY A 30 57.861 -10.480 -2.107 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.318 -11.826 -1.232 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.914 -12.159 -0.588 1.00 1.58 H new ATOM 461 N ALA A 31 56.396 -9.052 -0.292 1.00 0.90 N ATOM 462 CA ALA A 31 56.231 -7.933 0.681 1.00 0.95 C ATOM 463 C ALA A 31 54.814 -7.944 1.264 1.00 1.15 C ATOM 464 O ALA A 31 54.049 -8.862 1.044 1.00 1.41 O ATOM 465 CB ALA A 31 56.462 -6.660 -0.136 1.00 0.97 C ATOM 0 H ALA A 31 56.757 -8.782 -1.207 1.00 0.90 H new ATOM 0 HA ALA A 31 56.922 -8.011 1.520 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.358 -5.789 0.511 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.465 -6.678 -0.562 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.728 -6.605 -0.940 1.00 0.97 H new ATOM 471 N GLU A 32 54.460 -6.931 2.006 1.00 1.35 N ATOM 472 CA GLU A 32 53.094 -6.890 2.601 1.00 1.90 C ATOM 473 C GLU A 32 52.358 -5.620 2.159 1.00 2.05 C ATOM 474 O GLU A 32 51.155 -5.613 2.001 1.00 2.79 O ATOM 475 CB GLU A 32 53.321 -6.883 4.113 1.00 2.37 C ATOM 476 CG GLU A 32 53.837 -5.511 4.548 1.00 2.44 C ATOM 477 CD GLU A 32 53.927 -5.460 6.075 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.436 -6.381 6.708 1.00 3.29 O ATOM 479 OE2 GLU A 32 54.484 -4.502 6.584 1.00 3.24 O ATOM 0 H GLU A 32 55.055 -6.132 2.226 1.00 1.35 H new ATOM 0 HA GLU A 32 52.481 -7.734 2.285 1.00 1.90 H new ATOM 0 HB2 GLU A 32 52.391 -7.114 4.632 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.039 -7.656 4.387 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.817 -5.323 4.109 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.170 -4.728 4.186 1.00 2.44 H new ATOM 486 N ASP A 33 53.073 -4.547 1.954 1.00 1.80 N ATOM 487 CA ASP A 33 52.412 -3.282 1.519 1.00 2.11 C ATOM 488 C ASP A 33 53.299 -2.542 0.516 1.00 1.47 C ATOM 489 O ASP A 33 53.499 -1.347 0.613 1.00 1.80 O ATOM 490 CB ASP A 33 52.246 -2.460 2.797 1.00 3.12 C ATOM 491 CG ASP A 33 50.784 -2.501 3.246 1.00 3.68 C ATOM 492 OD1 ASP A 33 49.996 -3.143 2.571 1.00 4.09 O ATOM 493 OD2 ASP A 33 50.477 -1.891 4.257 1.00 4.12 O ATOM 0 H ASP A 33 54.085 -4.491 2.069 1.00 1.80 H new ATOM 0 HA ASP A 33 51.457 -3.463 1.026 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.890 -2.856 3.583 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.554 -1.429 2.621 1.00 3.12 H new ATOM 498 N GLY A 34 53.831 -3.241 -0.448 1.00 1.10 N ATOM 499 CA GLY A 34 54.703 -2.576 -1.456 1.00 1.40 C ATOM 500 C GLY A 34 55.903 -1.939 -0.754 1.00 1.17 C ATOM 501 O GLY A 34 56.169 -0.763 -0.904 1.00 1.39 O ATOM 0 H GLY A 34 53.700 -4.244 -0.581 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.044 -3.303 -2.193 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.138 -1.816 -1.995 1.00 1.40 H new ATOM 505 N SER A 35 56.630 -2.704 0.014 1.00 0.84 N ATOM 506 CA SER A 35 57.813 -2.138 0.725 1.00 0.70 C ATOM 507 C SER A 35 58.792 -3.256 1.093 1.00 0.67 C ATOM 508 O SER A 35 58.555 -4.416 0.820 1.00 0.80 O ATOM 509 CB SER A 35 57.245 -1.485 1.983 1.00 0.75 C ATOM 510 OG SER A 35 57.354 -2.392 3.072 1.00 1.04 O ATOM 0 H SER A 35 56.457 -3.695 0.180 1.00 0.84 H new ATOM 0 HA SER A 35 58.363 -1.425 0.111 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.786 -0.565 2.205 1.00 0.75 H new ATOM 0 HB3 SER A 35 56.202 -1.211 1.825 1.00 0.75 H new ATOM 0 HG SER A 35 56.992 -1.976 3.882 1.00 1.04 H new ATOM 516 N ILE A 36 59.891 -2.915 1.708 1.00 0.69 N ATOM 517 CA ILE A 36 60.886 -3.962 2.091 1.00 0.78 C ATOM 518 C ILE A 36 61.478 -3.638 3.465 1.00 0.71 C ATOM 519 O ILE A 36 62.290 -2.745 3.606 1.00 0.98 O ATOM 520 CB ILE A 36 61.991 -3.933 1.016 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.523 -3.180 -0.236 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.350 -5.366 0.623 1.00 1.36 C ATOM 523 CD1 ILE A 36 62.644 -3.176 -1.278 1.00 1.22 C ATOM 0 H ILE A 36 60.145 -1.960 1.962 1.00 0.69 H new ATOM 0 HA ILE A 36 60.423 -4.947 2.150 1.00 0.78 H new ATOM 0 HB ILE A 36 62.859 -3.420 1.431 1.00 1.00 H new ATOM 0 HG12 ILE A 36 60.632 -3.654 -0.647 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.249 -2.157 0.023 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.131 -5.350 -0.137 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.708 -5.905 1.500 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.467 -5.866 0.225 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.312 -2.641 -2.168 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.523 -2.682 -0.865 1.00 1.22 H new ATOM 0 HD13 ILE A 36 62.896 -4.202 -1.545 1.00 1.22 H new ATOM 535 N SER A 37 61.077 -4.352 4.480 1.00 0.87 N ATOM 536 CA SER A 37 61.615 -4.081 5.844 1.00 0.87 C ATOM 537 C SER A 37 62.963 -4.782 6.032 1.00 0.76 C ATOM 538 O SER A 37 63.243 -5.787 5.408 1.00 0.87 O ATOM 539 CB SER A 37 60.574 -4.656 6.803 1.00 1.12 C ATOM 540 OG SER A 37 59.942 -5.774 6.193 1.00 1.52 O ATOM 0 H SER A 37 60.399 -5.112 4.424 1.00 0.87 H new ATOM 0 HA SER A 37 61.784 -3.018 6.016 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.049 -4.957 7.737 1.00 1.12 H new ATOM 0 HB3 SER A 37 59.833 -3.896 7.053 1.00 1.12 H new ATOM 0 HG SER A 37 59.274 -6.147 6.806 1.00 1.52 H new ATOM 546 N THR A 38 63.799 -4.261 6.888 1.00 0.71 N ATOM 547 CA THR A 38 65.130 -4.896 7.116 1.00 0.65 C ATOM 548 C THR A 38 64.990 -6.420 7.193 1.00 0.70 C ATOM 549 O THR A 38 65.917 -7.152 6.906 1.00 1.37 O ATOM 550 CB THR A 38 65.628 -4.335 8.450 1.00 0.76 C ATOM 551 OG1 THR A 38 66.639 -5.185 8.972 1.00 1.55 O ATOM 552 CG2 THR A 38 64.468 -4.252 9.439 1.00 1.00 C ATOM 0 H THR A 38 63.619 -3.423 7.440 1.00 0.71 H new ATOM 0 HA THR A 38 65.825 -4.682 6.304 1.00 0.65 H new ATOM 0 HB THR A 38 66.037 -3.337 8.292 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.960 -4.826 9.826 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.826 -3.852 10.388 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.694 -3.597 9.038 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.054 -5.248 9.598 1.00 1.00 H new ATOM 560 N LYS A 39 63.840 -6.906 7.575 1.00 0.60 N ATOM 561 CA LYS A 39 63.649 -8.383 7.662 1.00 0.66 C ATOM 562 C LYS A 39 63.493 -8.972 6.259 1.00 0.64 C ATOM 563 O LYS A 39 63.913 -10.079 5.987 1.00 0.87 O ATOM 564 CB LYS A 39 62.364 -8.572 8.471 1.00 0.81 C ATOM 565 CG LYS A 39 62.432 -7.731 9.748 1.00 1.42 C ATOM 566 CD LYS A 39 63.731 -8.038 10.495 1.00 1.58 C ATOM 567 CE LYS A 39 63.542 -7.747 11.986 1.00 2.15 C ATOM 568 NZ LYS A 39 63.460 -6.263 12.081 1.00 2.80 N ATOM 0 H LYS A 39 63.026 -6.346 7.830 1.00 0.60 H new ATOM 0 HA LYS A 39 64.497 -8.885 8.128 1.00 0.66 H new ATOM 0 HB2 LYS A 39 61.500 -8.277 7.875 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.233 -9.624 8.723 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.385 -6.671 9.500 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.574 -7.948 10.385 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.009 -9.082 10.349 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.545 -7.433 10.096 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.636 -8.218 12.368 1.00 2.15 H new ATOM 0 HE3 LYS A 39 64.375 -8.135 12.573 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.432 -5.980 13.081 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.293 -5.839 11.624 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.597 -5.932 11.604 1.00 2.80 H new ATOM 582 N GLU A 40 62.892 -8.235 5.367 1.00 0.63 N ATOM 583 CA GLU A 40 62.708 -8.742 3.979 1.00 0.68 C ATOM 584 C GLU A 40 63.684 -8.020 3.035 1.00 0.66 C ATOM 585 O GLU A 40 64.067 -8.540 2.006 1.00 0.83 O ATOM 586 CB GLU A 40 61.232 -8.432 3.653 1.00 0.86 C ATOM 587 CG GLU A 40 61.096 -7.721 2.302 1.00 1.05 C ATOM 588 CD GLU A 40 61.628 -8.628 1.191 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.420 -9.827 1.281 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.235 -8.109 0.268 1.00 1.92 O ATOM 0 H GLU A 40 62.520 -7.301 5.540 1.00 0.63 H new ATOM 0 HA GLU A 40 62.917 -9.806 3.866 1.00 0.68 H new ATOM 0 HB2 GLU A 40 60.659 -9.359 3.638 1.00 0.86 H new ATOM 0 HB3 GLU A 40 60.807 -7.808 4.439 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.052 -7.472 2.114 1.00 1.05 H new ATOM 0 HG3 GLU A 40 61.650 -6.782 2.316 1.00 1.05 H new ATOM 597 N LEU A 41 64.089 -6.830 3.386 1.00 0.73 N ATOM 598 CA LEU A 41 65.041 -6.073 2.520 1.00 0.80 C ATOM 599 C LEU A 41 66.474 -6.561 2.750 1.00 0.72 C ATOM 600 O LEU A 41 67.307 -6.513 1.866 1.00 0.81 O ATOM 601 CB LEU A 41 64.895 -4.614 2.958 1.00 1.10 C ATOM 602 CG LEU A 41 65.738 -3.712 2.051 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.218 -3.872 2.402 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.516 -4.103 0.589 1.00 1.83 C ATOM 0 H LEU A 41 63.802 -6.347 4.237 1.00 0.73 H new ATOM 0 HA LEU A 41 64.829 -6.206 1.459 1.00 0.80 H new ATOM 0 HB2 LEU A 41 63.848 -4.314 2.912 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.214 -4.502 3.994 1.00 1.10 H new ATOM 0 HG LEU A 41 65.440 -2.674 2.198 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.817 -3.230 1.756 1.00 1.94 H new ATOM 0 HD12 LEU A 41 67.378 -3.590 3.443 1.00 1.94 H new ATOM 0 HD13 LEU A 41 67.516 -4.911 2.258 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.116 -3.460 -0.055 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.811 -5.142 0.441 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.462 -3.986 0.337 1.00 1.83 H new ATOM 616 N GLY A 42 66.768 -7.026 3.933 1.00 0.72 N ATOM 617 CA GLY A 42 68.146 -7.512 4.224 1.00 0.91 C ATOM 618 C GLY A 42 68.632 -8.407 3.081 1.00 0.78 C ATOM 619 O GLY A 42 69.696 -8.203 2.531 1.00 0.84 O ATOM 0 H GLY A 42 66.112 -7.090 4.712 1.00 0.72 H new ATOM 0 HA2 GLY A 42 68.822 -6.666 4.348 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.155 -8.067 5.162 1.00 0.91 H new ATOM 623 N LYS A 43 67.865 -9.399 2.722 1.00 0.77 N ATOM 624 CA LYS A 43 68.288 -10.306 1.617 1.00 0.86 C ATOM 625 C LYS A 43 68.811 -9.492 0.430 1.00 0.79 C ATOM 626 O LYS A 43 69.854 -9.781 -0.122 1.00 0.99 O ATOM 627 CB LYS A 43 67.024 -11.074 1.229 1.00 0.95 C ATOM 628 CG LYS A 43 66.691 -12.094 2.320 1.00 1.34 C ATOM 629 CD LYS A 43 67.718 -13.228 2.288 1.00 2.13 C ATOM 630 CE LYS A 43 68.248 -13.478 3.702 1.00 2.65 C ATOM 631 NZ LYS A 43 67.074 -13.982 4.468 1.00 2.98 N ATOM 0 H LYS A 43 66.964 -9.621 3.145 1.00 0.77 H new ATOM 0 HA LYS A 43 69.094 -10.975 1.919 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.192 -10.383 1.097 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.172 -11.581 0.275 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.696 -11.612 3.298 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.688 -12.493 2.166 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.261 -14.136 1.894 1.00 2.13 H new ATOM 0 HD3 LYS A 43 68.540 -12.969 1.621 1.00 2.13 H new ATOM 0 HE2 LYS A 43 69.059 -14.207 3.697 1.00 2.65 H new ATOM 0 HE3 LYS A 43 68.644 -12.563 4.143 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 67.404 -14.530 5.288 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.502 -13.178 4.796 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 66.495 -14.591 3.855 1.00 2.98 H new ATOM 645 N VAL A 44 68.094 -8.477 0.033 1.00 0.72 N ATOM 646 CA VAL A 44 68.549 -7.644 -1.117 1.00 0.93 C ATOM 647 C VAL A 44 69.926 -7.044 -0.824 1.00 0.89 C ATOM 648 O VAL A 44 70.853 -7.185 -1.596 1.00 1.06 O ATOM 649 CB VAL A 44 67.501 -6.540 -1.242 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.713 -5.779 -2.551 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.103 -7.163 -1.235 1.00 1.80 C ATOM 0 H VAL A 44 67.212 -8.188 0.455 1.00 0.72 H new ATOM 0 HA VAL A 44 68.644 -8.224 -2.035 1.00 0.93 H new ATOM 0 HB VAL A 44 67.598 -5.851 -0.403 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.965 -4.991 -2.639 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.709 -5.336 -2.557 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.617 -6.467 -3.391 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.354 -6.376 -1.324 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.007 -7.852 -2.074 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.951 -7.705 -0.302 1.00 1.80 H new ATOM 661 N MET A 45 70.063 -6.373 0.285 1.00 0.86 N ATOM 662 CA MET A 45 71.378 -5.758 0.633 1.00 1.06 C ATOM 663 C MET A 45 72.524 -6.711 0.285 1.00 1.08 C ATOM 664 O MET A 45 73.522 -6.316 -0.286 1.00 1.14 O ATOM 665 CB MET A 45 71.317 -5.531 2.143 1.00 1.34 C ATOM 666 CG MET A 45 70.288 -4.443 2.457 1.00 1.88 C ATOM 667 SD MET A 45 70.758 -3.592 3.983 1.00 2.45 S ATOM 668 CE MET A 45 72.174 -2.687 3.313 1.00 3.35 C ATOM 0 H MET A 45 69.321 -6.223 0.968 1.00 0.86 H new ATOM 0 HA MET A 45 71.557 -4.834 0.083 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.048 -6.458 2.650 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.298 -5.237 2.517 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.232 -3.731 1.633 1.00 1.88 H new ATOM 0 HG3 MET A 45 69.297 -4.884 2.564 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.284 -1.740 3.841 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.079 -3.281 3.441 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.014 -2.494 2.252 1.00 3.35 H new ATOM 678 N ARG A 46 72.394 -7.963 0.631 1.00 1.20 N ATOM 679 CA ARG A 46 73.480 -8.938 0.328 1.00 1.46 C ATOM 680 C ARG A 46 73.532 -9.232 -1.174 1.00 1.52 C ATOM 681 O ARG A 46 74.537 -9.676 -1.692 1.00 1.73 O ATOM 682 CB ARG A 46 73.112 -10.199 1.110 1.00 1.74 C ATOM 683 CG ARG A 46 74.328 -10.676 1.906 1.00 1.93 C ATOM 684 CD ARG A 46 74.435 -12.199 1.814 1.00 2.48 C ATOM 685 NE ARG A 46 75.159 -12.455 0.539 1.00 2.64 N ATOM 686 CZ ARG A 46 76.132 -13.323 0.503 1.00 3.08 C ATOM 687 NH1 ARG A 46 77.323 -12.985 0.916 1.00 3.41 N ATOM 688 NH2 ARG A 46 75.916 -14.529 0.056 1.00 3.64 N ATOM 0 H ARG A 46 71.582 -8.353 1.110 1.00 1.20 H new ATOM 0 HA ARG A 46 74.462 -8.557 0.607 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.281 -9.993 1.784 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.782 -10.981 0.426 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.235 -10.213 1.516 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.236 -10.370 2.948 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.978 -12.609 2.666 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.450 -12.665 1.809 1.00 2.48 H new ATOM 0 HE ARG A 46 74.894 -11.951 -0.307 1.00 2.64 H new ATOM 0 HH11 ARG A 46 77.493 -12.042 1.267 1.00 3.41 H new ATOM 0 HH12 ARG A 46 78.084 -13.663 0.888 1.00 3.41 H new ATOM 0 HH21 ARG A 46 74.985 -14.794 -0.266 1.00 3.64 H new ATOM 0 HH22 ARG A 46 76.678 -15.207 0.028 1.00 3.64 H new ATOM 702 N MET A 47 72.461 -8.989 -1.879 1.00 1.46 N ATOM 703 CA MET A 47 72.467 -9.258 -3.346 1.00 1.73 C ATOM 704 C MET A 47 73.194 -8.126 -4.082 1.00 1.75 C ATOM 705 O MET A 47 73.621 -8.275 -5.210 1.00 2.01 O ATOM 706 CB MET A 47 70.985 -9.332 -3.749 1.00 1.70 C ATOM 707 CG MET A 47 70.453 -7.939 -4.105 1.00 1.96 C ATOM 708 SD MET A 47 70.428 -7.743 -5.905 1.00 1.94 S ATOM 709 CE MET A 47 69.217 -9.040 -6.261 1.00 1.52 C ATOM 0 H MET A 47 71.587 -8.618 -1.506 1.00 1.46 H new ATOM 0 HA MET A 47 72.990 -10.180 -3.602 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.867 -10.001 -4.601 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.400 -9.752 -2.931 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.450 -7.807 -3.700 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.082 -7.172 -3.654 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.611 -9.704 -7.030 1.00 1.52 H new ATOM 0 HE2 MET A 47 69.019 -9.612 -5.354 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.291 -8.586 -6.613 1.00 1.52 H new ATOM 719 N LEU A 48 73.339 -6.996 -3.445 1.00 1.60 N ATOM 720 CA LEU A 48 74.037 -5.853 -4.097 1.00 1.69 C ATOM 721 C LEU A 48 75.537 -5.913 -3.794 1.00 1.68 C ATOM 722 O LEU A 48 76.353 -5.437 -4.556 1.00 1.99 O ATOM 723 CB LEU A 48 73.414 -4.603 -3.475 1.00 1.73 C ATOM 724 CG LEU A 48 71.892 -4.750 -3.456 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.260 -3.454 -2.944 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.393 -5.035 -4.874 1.00 2.15 C ATOM 0 H LEU A 48 73.003 -6.815 -2.499 1.00 1.60 H new ATOM 0 HA LEU A 48 73.929 -5.865 -5.182 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.789 -4.462 -2.461 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.698 -3.719 -4.046 1.00 1.73 H new ATOM 0 HG LEU A 48 71.613 -5.573 -2.798 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.175 -3.559 -2.930 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.617 -3.249 -1.935 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.537 -2.630 -3.601 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.308 -5.140 -4.864 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.671 -4.210 -5.530 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.844 -5.958 -5.240 1.00 2.15 H new ATOM 738 N GLY A 49 75.904 -6.495 -2.684 1.00 1.63 N ATOM 739 CA GLY A 49 77.348 -6.586 -2.334 1.00 1.87 C ATOM 740 C GLY A 49 77.693 -5.511 -1.302 1.00 1.54 C ATOM 741 O GLY A 49 78.498 -4.635 -1.549 1.00 1.53 O ATOM 0 H GLY A 49 75.266 -6.911 -2.006 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.574 -7.574 -1.934 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.958 -6.456 -3.228 1.00 1.87 H new ATOM 745 N GLN A 50 77.091 -5.570 -0.145 1.00 1.37 N ATOM 746 CA GLN A 50 77.388 -4.549 0.901 1.00 1.17 C ATOM 747 C GLN A 50 77.648 -5.230 2.243 1.00 1.24 C ATOM 748 O GLN A 50 77.560 -4.622 3.290 1.00 1.75 O ATOM 749 CB GLN A 50 76.133 -3.677 0.974 1.00 1.29 C ATOM 750 CG GLN A 50 76.352 -2.397 0.165 1.00 1.28 C ATOM 751 CD GLN A 50 75.684 -1.221 0.880 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.138 -0.790 1.921 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.615 -0.681 0.360 1.00 1.85 N ATOM 0 H GLN A 50 76.408 -6.279 0.121 1.00 1.37 H new ATOM 0 HA GLN A 50 78.276 -3.963 0.665 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.274 -4.224 0.584 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.909 -3.430 2.012 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.419 -2.206 0.047 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.936 -2.511 -0.836 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.234 -1.043 -0.514 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.161 0.103 0.828 1.00 1.85 H new ATOM 762 N ASN A 51 77.972 -6.491 2.206 1.00 1.18 N ATOM 763 CA ASN A 51 78.248 -7.247 3.465 1.00 1.29 C ATOM 764 C ASN A 51 77.307 -6.794 4.588 1.00 1.07 C ATOM 765 O ASN A 51 77.748 -6.464 5.670 1.00 1.45 O ATOM 766 CB ASN A 51 79.698 -6.919 3.816 1.00 1.96 C ATOM 767 CG ASN A 51 80.395 -8.179 4.332 1.00 2.61 C ATOM 768 OD1 ASN A 51 80.085 -9.275 3.908 1.00 3.07 O ATOM 769 ND2 ASN A 51 81.329 -8.070 5.236 1.00 3.29 N ATOM 0 H ASN A 51 78.059 -7.039 1.350 1.00 1.18 H new ATOM 0 HA ASN A 51 78.089 -8.318 3.339 1.00 1.29 H new ATOM 0 HB2 ASN A 51 80.218 -6.536 2.938 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.732 -6.136 4.573 1.00 1.96 H new ATOM 0 HD21 ASN A 51 81.799 -8.904 5.587 1.00 3.29 H new ATOM 0 HD22 ASN A 51 81.589 -7.150 5.592 1.00 3.29 H new ATOM 776 N PRO A 52 76.034 -6.797 4.291 1.00 1.47 N ATOM 777 CA PRO A 52 75.020 -6.382 5.291 1.00 2.11 C ATOM 778 C PRO A 52 74.859 -7.457 6.368 1.00 1.79 C ATOM 779 O PRO A 52 74.436 -8.563 6.096 1.00 2.07 O ATOM 780 CB PRO A 52 73.742 -6.248 4.471 1.00 2.97 C ATOM 781 CG PRO A 52 73.944 -7.144 3.292 1.00 2.97 C ATOM 782 CD PRO A 52 75.425 -7.180 3.013 1.00 2.03 C ATOM 0 HA PRO A 52 75.287 -5.463 5.813 1.00 2.11 H new ATOM 0 HB2 PRO A 52 72.868 -6.548 5.050 1.00 2.97 H new ATOM 0 HB3 PRO A 52 73.579 -5.216 4.159 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.566 -8.145 3.500 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.398 -6.771 2.426 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.748 -8.172 2.698 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.699 -6.488 2.217 1.00 2.03 H new ATOM 790 N THR A 53 75.189 -7.142 7.589 1.00 1.42 N ATOM 791 CA THR A 53 75.051 -8.147 8.680 1.00 1.16 C ATOM 792 C THR A 53 73.723 -7.945 9.415 1.00 0.98 C ATOM 793 O THR A 53 73.065 -6.939 9.241 1.00 0.92 O ATOM 794 CB THR A 53 76.229 -7.880 9.617 1.00 1.19 C ATOM 795 OG1 THR A 53 76.572 -6.501 9.562 1.00 1.40 O ATOM 796 CG2 THR A 53 77.430 -8.724 9.187 1.00 1.36 C ATOM 0 H THR A 53 75.548 -6.232 7.879 1.00 1.42 H new ATOM 0 HA THR A 53 75.055 -9.170 8.304 1.00 1.16 H new ATOM 0 HB THR A 53 75.949 -8.146 10.636 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.326 -6.327 10.163 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.268 -8.532 9.857 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.166 -9.781 9.230 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.713 -8.462 8.167 1.00 1.36 H new ATOM 804 N PRO A 54 73.377 -8.913 10.218 1.00 0.99 N ATOM 805 CA PRO A 54 72.115 -8.843 10.994 1.00 1.04 C ATOM 806 C PRO A 54 72.246 -7.810 12.116 1.00 0.93 C ATOM 807 O PRO A 54 71.276 -7.222 12.550 1.00 0.94 O ATOM 808 CB PRO A 54 71.963 -10.252 11.559 1.00 1.19 C ATOM 809 CG PRO A 54 73.352 -10.803 11.602 1.00 1.18 C ATOM 810 CD PRO A 54 74.119 -10.151 10.480 1.00 1.10 C ATOM 0 HA PRO A 54 71.255 -8.539 10.398 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.515 -10.233 12.553 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.316 -10.862 10.929 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.821 -10.592 12.563 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.341 -11.886 11.483 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.150 -9.945 10.768 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.155 -10.789 9.597 1.00 1.10 H new ATOM 818 N GLU A 55 73.444 -7.583 12.583 1.00 0.98 N ATOM 819 CA GLU A 55 73.643 -6.585 13.671 1.00 1.08 C ATOM 820 C GLU A 55 73.739 -5.178 13.078 1.00 0.97 C ATOM 821 O GLU A 55 73.325 -4.208 13.682 1.00 1.01 O ATOM 822 CB GLU A 55 74.962 -6.980 14.335 1.00 1.28 C ATOM 823 CG GLU A 55 74.796 -8.331 15.034 1.00 2.15 C ATOM 824 CD GLU A 55 75.915 -9.276 14.590 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.985 -8.786 14.272 1.00 2.81 O ATOM 826 OE2 GLU A 55 75.680 -10.474 14.576 1.00 3.14 O ATOM 0 H GLU A 55 74.293 -8.046 12.258 1.00 0.98 H new ATOM 0 HA GLU A 55 72.818 -6.576 14.383 1.00 1.08 H new ATOM 0 HB2 GLU A 55 75.754 -7.040 13.588 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.261 -6.219 15.056 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.825 -8.199 16.116 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.824 -8.761 14.791 1.00 2.15 H new ATOM 833 N GLU A 56 74.277 -5.060 11.894 1.00 0.92 N ATOM 834 CA GLU A 56 74.395 -3.716 11.260 1.00 0.94 C ATOM 835 C GLU A 56 73.036 -3.277 10.708 1.00 0.84 C ATOM 836 O GLU A 56 72.665 -2.124 10.791 1.00 0.94 O ATOM 837 CB GLU A 56 75.404 -3.895 10.125 1.00 1.06 C ATOM 838 CG GLU A 56 76.069 -2.552 9.817 1.00 1.60 C ATOM 839 CD GLU A 56 77.431 -2.793 9.164 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.964 -3.878 9.332 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.919 -1.889 8.508 1.00 2.08 O ATOM 0 H GLU A 56 74.639 -5.835 11.339 1.00 0.92 H new ATOM 0 HA GLU A 56 74.716 -2.951 11.968 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.158 -4.630 10.407 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.903 -4.277 9.236 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.435 -1.964 9.153 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.191 -1.976 10.734 1.00 1.60 H new ATOM 848 N LEU A 57 72.288 -4.191 10.149 1.00 0.73 N ATOM 849 CA LEU A 57 70.953 -3.824 9.597 1.00 0.78 C ATOM 850 C LEU A 57 70.222 -2.901 10.574 1.00 0.80 C ATOM 851 O LEU A 57 70.038 -1.728 10.313 1.00 0.89 O ATOM 852 CB LEU A 57 70.204 -5.148 9.449 1.00 0.85 C ATOM 853 CG LEU A 57 70.439 -5.714 8.048 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.200 -7.225 8.061 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.469 -5.055 7.066 1.00 1.10 C ATOM 0 H LEU A 57 72.544 -5.174 10.051 1.00 0.73 H new ATOM 0 HA LEU A 57 71.028 -3.294 8.648 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.547 -5.858 10.202 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.138 -4.996 9.617 1.00 0.85 H new ATOM 0 HG LEU A 57 71.465 -5.511 7.741 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.367 -7.628 7.062 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.888 -7.696 8.763 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.174 -7.428 8.367 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.634 -5.457 6.066 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.444 -5.260 7.374 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.637 -3.978 7.057 1.00 1.10 H new ATOM 867 N GLN A 58 69.810 -3.418 11.698 1.00 0.81 N ATOM 868 CA GLN A 58 69.100 -2.565 12.691 1.00 0.95 C ATOM 869 C GLN A 58 69.863 -1.253 12.887 1.00 0.99 C ATOM 870 O GLN A 58 69.281 -0.190 12.975 1.00 1.13 O ATOM 871 CB GLN A 58 69.092 -3.382 13.983 1.00 1.09 C ATOM 872 CG GLN A 58 68.303 -2.630 15.057 1.00 1.25 C ATOM 873 CD GLN A 58 66.885 -2.359 14.554 1.00 1.41 C ATOM 874 OE1 GLN A 58 66.381 -3.118 13.620 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 66.227 -1.448 15.016 1.00 1.74 N flip ATOM 0 H GLN A 58 69.934 -4.393 11.971 1.00 0.81 H new ATOM 0 HA GLN A 58 68.091 -2.305 12.372 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.644 -4.360 13.805 1.00 1.09 H new ATOM 0 HB3 GLN A 58 70.113 -3.556 14.322 1.00 1.09 H new ATOM 0 HG2 GLN A 58 68.268 -3.216 15.975 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.800 -1.690 15.297 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.620 -0.854 15.746 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.281 -1.277 14.674 1.00 1.74 H new ATOM 884 N GLU A 59 71.166 -1.321 12.951 1.00 0.97 N ATOM 885 CA GLU A 59 71.969 -0.079 13.136 1.00 1.14 C ATOM 886 C GLU A 59 71.762 0.858 11.943 1.00 1.11 C ATOM 887 O GLU A 59 71.433 2.017 12.101 1.00 1.18 O ATOM 888 CB GLU A 59 73.421 -0.553 13.204 1.00 1.23 C ATOM 889 CG GLU A 59 74.320 0.615 13.615 1.00 1.60 C ATOM 890 CD GLU A 59 75.456 0.102 14.500 1.00 2.19 C ATOM 891 OE1 GLU A 59 75.266 0.051 15.704 1.00 2.75 O ATOM 892 OE2 GLU A 59 76.498 -0.232 13.960 1.00 2.77 O ATOM 0 H GLU A 59 71.708 -2.182 12.883 1.00 0.97 H new ATOM 0 HA GLU A 59 71.682 0.474 14.030 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.515 -1.368 13.921 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.733 -0.943 12.235 1.00 1.23 H new ATOM 0 HG2 GLU A 59 74.727 1.102 12.729 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.738 1.364 14.152 1.00 1.60 H new ATOM 899 N MET A 60 71.946 0.364 10.748 1.00 1.11 N ATOM 900 CA MET A 60 71.753 1.226 9.548 1.00 1.18 C ATOM 901 C MET A 60 70.393 1.924 9.624 1.00 1.13 C ATOM 902 O MET A 60 70.297 3.132 9.545 1.00 1.25 O ATOM 903 CB MET A 60 71.799 0.266 8.360 1.00 1.22 C ATOM 904 CG MET A 60 72.367 0.990 7.138 1.00 1.62 C ATOM 905 SD MET A 60 74.174 1.016 7.239 1.00 1.82 S ATOM 906 CE MET A 60 74.420 2.650 6.502 1.00 2.02 C ATOM 0 H MET A 60 72.221 -0.598 10.552 1.00 1.11 H new ATOM 0 HA MET A 60 72.510 2.006 9.467 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.416 -0.599 8.602 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.798 -0.107 8.142 1.00 1.22 H new ATOM 0 HG2 MET A 60 72.050 0.487 6.224 1.00 1.62 H new ATOM 0 HG3 MET A 60 71.980 2.008 7.092 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.487 2.868 6.448 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.996 2.664 5.498 1.00 2.02 H new ATOM 0 HE3 MET A 60 73.926 3.404 7.115 1.00 2.02 H new ATOM 916 N ILE A 61 69.342 1.168 9.785 1.00 1.04 N ATOM 917 CA ILE A 61 67.987 1.781 9.875 1.00 1.11 C ATOM 918 C ILE A 61 67.924 2.712 11.093 1.00 1.23 C ATOM 919 O ILE A 61 67.305 3.756 11.057 1.00 1.40 O ATOM 920 CB ILE A 61 67.031 0.581 10.013 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.401 0.285 8.650 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.917 0.875 11.027 1.00 1.36 C ATOM 923 CD1 ILE A 61 66.868 -1.087 8.160 1.00 1.14 C ATOM 0 H ILE A 61 69.363 0.151 9.858 1.00 1.04 H new ATOM 0 HA ILE A 61 67.727 2.393 9.012 1.00 1.11 H new ATOM 0 HB ILE A 61 67.602 -0.278 10.366 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.314 0.305 8.728 1.00 1.17 H new ATOM 0 HG13 ILE A 61 66.683 1.055 7.932 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.257 0.011 11.104 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.358 1.083 12.002 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.343 1.741 10.696 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.420 -1.299 7.189 1.00 1.14 H new ATOM 0 HD12 ILE A 61 67.954 -1.090 8.067 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.563 -1.852 8.875 1.00 1.14 H new ATOM 935 N ASP A 62 68.563 2.341 12.168 1.00 1.23 N ATOM 936 CA ASP A 62 68.540 3.206 13.382 1.00 1.43 C ATOM 937 C ASP A 62 68.770 4.667 12.988 1.00 1.48 C ATOM 938 O ASP A 62 68.121 5.565 13.487 1.00 1.67 O ATOM 939 CB ASP A 62 69.689 2.699 14.253 1.00 1.51 C ATOM 940 CG ASP A 62 69.311 2.841 15.729 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.127 2.817 16.022 1.00 2.13 O ATOM 942 OD2 ASP A 62 70.212 2.970 16.542 1.00 1.79 O ATOM 0 H ASP A 62 69.099 1.478 12.259 1.00 1.23 H new ATOM 0 HA ASP A 62 67.584 3.162 13.905 1.00 1.43 H new ATOM 0 HB2 ASP A 62 69.903 1.656 14.020 1.00 1.51 H new ATOM 0 HB3 ASP A 62 70.596 3.265 14.043 1.00 1.51 H new ATOM 947 N GLU A 63 69.690 4.911 12.094 1.00 1.41 N ATOM 948 CA GLU A 63 69.961 6.314 11.667 1.00 1.52 C ATOM 949 C GLU A 63 69.236 6.614 10.351 1.00 1.47 C ATOM 950 O GLU A 63 68.491 7.567 10.246 1.00 1.80 O ATOM 951 CB GLU A 63 71.476 6.380 11.472 1.00 1.55 C ATOM 952 CG GLU A 63 72.173 5.758 12.683 1.00 2.11 C ATOM 953 CD GLU A 63 73.256 6.710 13.193 1.00 2.26 C ATOM 954 OE1 GLU A 63 72.928 7.848 13.486 1.00 2.93 O ATOM 955 OE2 GLU A 63 74.397 6.285 13.281 1.00 2.32 O ATOM 0 H GLU A 63 70.265 4.200 11.641 1.00 1.41 H new ATOM 0 HA GLU A 63 69.611 7.045 12.396 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.760 5.849 10.563 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.793 7.416 11.349 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.447 5.560 13.472 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.615 4.800 12.409 1.00 2.11 H new ATOM 962 N VAL A 64 69.449 5.806 9.347 1.00 1.33 N ATOM 963 CA VAL A 64 68.769 6.048 8.043 1.00 1.29 C ATOM 964 C VAL A 64 67.253 6.101 8.248 1.00 1.21 C ATOM 965 O VAL A 64 66.591 7.025 7.817 1.00 1.50 O ATOM 966 CB VAL A 64 69.184 4.862 7.158 1.00 1.40 C ATOM 967 CG1 VAL A 64 68.030 4.433 6.241 1.00 1.69 C ATOM 968 CG2 VAL A 64 70.372 5.286 6.299 1.00 1.31 C ATOM 0 H VAL A 64 70.063 4.992 9.374 1.00 1.33 H new ATOM 0 HA VAL A 64 69.048 6.997 7.586 1.00 1.29 H new ATOM 0 HB VAL A 64 69.450 4.020 7.797 1.00 1.40 H new ATOM 0 HG11 VAL A 64 68.348 3.592 5.625 1.00 1.69 H new ATOM 0 HG12 VAL A 64 67.175 4.135 6.848 1.00 1.69 H new ATOM 0 HG13 VAL A 64 67.746 5.267 5.599 1.00 1.69 H new ATOM 0 HG21 VAL A 64 70.678 4.454 5.665 1.00 1.31 H new ATOM 0 HG22 VAL A 64 70.086 6.132 5.674 1.00 1.31 H new ATOM 0 HG23 VAL A 64 71.202 5.575 6.943 1.00 1.31 H new ATOM 978 N ASP A 65 66.697 5.121 8.902 1.00 1.27 N ATOM 979 CA ASP A 65 65.226 5.125 9.134 1.00 1.38 C ATOM 980 C ASP A 65 64.854 6.235 10.119 1.00 2.07 C ATOM 981 O ASP A 65 64.247 5.993 11.144 1.00 2.61 O ATOM 982 CB ASP A 65 64.916 3.750 9.726 1.00 1.38 C ATOM 983 CG ASP A 65 63.728 3.131 8.989 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.606 3.488 9.308 1.00 2.59 O ATOM 985 OD2 ASP A 65 63.960 2.308 8.118 1.00 1.47 O ATOM 0 H ASP A 65 67.196 4.318 9.286 1.00 1.27 H new ATOM 0 HA ASP A 65 64.661 5.309 8.221 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.788 3.101 9.641 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.690 3.843 10.788 1.00 1.38 H new ATOM 990 N GLU A 66 65.216 7.454 9.818 1.00 2.65 N ATOM 991 CA GLU A 66 64.886 8.581 10.739 1.00 3.74 C ATOM 992 C GLU A 66 63.416 8.511 11.165 1.00 4.00 C ATOM 993 O GLU A 66 63.030 9.053 12.182 1.00 4.93 O ATOM 994 CB GLU A 66 65.145 9.845 9.922 1.00 4.58 C ATOM 995 CG GLU A 66 66.333 10.601 10.517 1.00 5.25 C ATOM 996 CD GLU A 66 66.586 11.875 9.710 1.00 6.17 C ATOM 997 OE1 GLU A 66 66.352 11.850 8.513 1.00 6.67 O ATOM 998 OE2 GLU A 66 67.009 12.854 10.302 1.00 6.61 O ATOM 0 H GLU A 66 65.726 7.718 8.975 1.00 2.65 H new ATOM 0 HA GLU A 66 65.480 8.553 11.652 1.00 3.74 H new ATOM 0 HB2 GLU A 66 65.349 9.584 8.884 1.00 4.58 H new ATOM 0 HB3 GLU A 66 64.259 10.480 9.923 1.00 4.58 H new ATOM 0 HG2 GLU A 66 66.133 10.852 11.559 1.00 5.25 H new ATOM 0 HG3 GLU A 66 67.221 9.969 10.507 1.00 5.25 H new ATOM 1005 N ASP A 67 62.595 7.851 10.398 1.00 3.32 N ATOM 1006 CA ASP A 67 61.152 7.752 10.760 1.00 3.69 C ATOM 1007 C ASP A 67 60.933 6.608 11.754 1.00 3.25 C ATOM 1008 O ASP A 67 59.859 6.447 12.300 1.00 3.49 O ATOM 1009 CB ASP A 67 60.433 7.461 9.443 1.00 3.68 C ATOM 1010 CG ASP A 67 60.932 6.133 8.871 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.766 5.123 9.537 1.00 3.83 O ATOM 1012 OD2 ASP A 67 61.470 6.147 7.776 1.00 2.33 O ATOM 0 H ASP A 67 62.860 7.375 9.535 1.00 3.32 H new ATOM 0 HA ASP A 67 60.782 8.661 11.235 1.00 3.69 H new ATOM 0 HB2 ASP A 67 59.356 7.417 9.606 1.00 3.68 H new ATOM 0 HB3 ASP A 67 60.615 8.267 8.732 1.00 3.68 H new ATOM 1017 N GLY A 68 61.940 5.815 11.995 1.00 2.98 N ATOM 1018 CA GLY A 68 61.783 4.684 12.952 1.00 3.17 C ATOM 1019 C GLY A 68 60.681 3.747 12.458 1.00 2.42 C ATOM 1020 O GLY A 68 59.710 3.498 13.146 1.00 3.05 O ATOM 0 H GLY A 68 62.864 5.901 11.571 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.723 4.140 13.046 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.535 5.064 13.943 1.00 3.17 H new ATOM 1024 N SER A 69 60.821 3.228 11.269 1.00 1.46 N ATOM 1025 CA SER A 69 59.777 2.310 10.730 1.00 1.52 C ATOM 1026 C SER A 69 60.397 0.964 10.343 1.00 1.64 C ATOM 1027 O SER A 69 59.701 -0.002 10.098 1.00 2.49 O ATOM 1028 CB SER A 69 59.226 3.020 9.495 1.00 2.44 C ATOM 1029 OG SER A 69 60.217 3.026 8.476 1.00 2.71 O ATOM 0 H SER A 69 61.612 3.399 10.648 1.00 1.46 H new ATOM 0 HA SER A 69 58.998 2.099 11.462 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.327 2.515 9.141 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.940 4.041 9.746 1.00 2.44 H new ATOM 1035 N GLY A 70 61.699 0.891 10.285 1.00 1.28 N ATOM 1036 CA GLY A 70 62.354 -0.395 9.912 1.00 1.43 C ATOM 1037 C GLY A 70 61.901 -0.806 8.510 1.00 1.29 C ATOM 1038 O GLY A 70 61.968 -1.961 8.139 1.00 1.59 O ATOM 0 H GLY A 70 62.336 1.664 10.479 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.438 -0.285 9.939 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.094 -1.171 10.632 1.00 1.43 H new ATOM 1042 N THR A 71 61.440 0.131 7.727 1.00 0.89 N ATOM 1043 CA THR A 71 60.982 -0.204 6.349 1.00 0.79 C ATOM 1044 C THR A 71 61.831 0.541 5.315 1.00 0.76 C ATOM 1045 O THR A 71 62.435 1.554 5.607 1.00 0.83 O ATOM 1046 CB THR A 71 59.528 0.267 6.291 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.466 1.648 6.615 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.692 -0.533 7.292 1.00 1.08 C ATOM 0 H THR A 71 61.361 1.115 7.983 1.00 0.89 H new ATOM 0 HA THR A 71 61.075 -1.267 6.128 1.00 0.79 H new ATOM 0 HB THR A 71 59.134 0.112 5.286 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.796 1.785 7.528 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.656 -0.197 7.251 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.741 -1.593 7.042 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.083 -0.379 8.298 1.00 1.08 H new ATOM 1056 N VAL A 72 61.882 0.046 4.109 1.00 0.73 N ATOM 1057 CA VAL A 72 62.694 0.725 3.058 1.00 0.77 C ATOM 1058 C VAL A 72 61.979 0.644 1.707 1.00 0.80 C ATOM 1059 O VAL A 72 62.102 -0.326 0.986 1.00 1.00 O ATOM 1060 CB VAL A 72 64.012 -0.048 3.018 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.870 0.458 1.857 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.763 0.163 4.335 1.00 1.13 C ATOM 0 H VAL A 72 61.397 -0.798 3.805 1.00 0.73 H new ATOM 0 HA VAL A 72 62.850 1.783 3.271 1.00 0.77 H new ATOM 0 HB VAL A 72 63.806 -1.109 2.879 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.809 -0.095 1.831 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.336 0.310 0.918 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.077 1.519 1.993 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.704 -0.387 4.310 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.967 1.225 4.471 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.154 -0.198 5.163 1.00 1.13 H new ATOM 1072 N ASP A 73 61.232 1.656 1.359 1.00 0.77 N ATOM 1073 CA ASP A 73 60.509 1.636 0.055 1.00 0.83 C ATOM 1074 C ASP A 73 61.384 2.242 -1.046 1.00 0.87 C ATOM 1075 O ASP A 73 62.589 2.330 -0.917 1.00 0.87 O ATOM 1076 CB ASP A 73 59.260 2.489 0.281 1.00 0.85 C ATOM 1077 CG ASP A 73 58.080 1.877 -0.476 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.291 0.901 -1.175 1.00 2.47 O ATOM 1079 OD2 ASP A 73 56.983 2.397 -0.343 1.00 2.57 O ATOM 0 H ASP A 73 61.091 2.496 1.921 1.00 0.77 H new ATOM 0 HA ASP A 73 60.258 0.624 -0.262 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.033 2.545 1.346 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.436 3.509 -0.062 1.00 0.85 H new ATOM 1084 N PHE A 74 60.787 2.659 -2.129 1.00 0.94 N ATOM 1085 CA PHE A 74 61.585 3.258 -3.238 1.00 0.98 C ATOM 1086 C PHE A 74 62.151 4.615 -2.811 1.00 0.86 C ATOM 1087 O PHE A 74 61.875 5.632 -3.414 1.00 0.83 O ATOM 1088 CB PHE A 74 60.594 3.429 -4.390 1.00 1.12 C ATOM 1089 CG PHE A 74 61.261 4.174 -5.521 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.622 3.977 -5.783 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.517 5.061 -6.309 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.240 4.667 -6.832 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.136 5.751 -7.359 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.497 5.554 -7.620 1.00 3.18 C ATOM 0 H PHE A 74 59.782 2.611 -2.294 1.00 0.94 H new ATOM 0 HA PHE A 74 62.434 2.635 -3.519 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.250 2.454 -4.735 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.714 3.975 -4.049 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.195 3.292 -5.175 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.467 5.213 -6.107 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.290 4.515 -7.034 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.563 6.435 -7.967 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.974 6.086 -8.430 1.00 3.18 H new ATOM 1104 N ASP A 75 62.942 4.633 -1.775 1.00 0.83 N ATOM 1105 CA ASP A 75 63.530 5.920 -1.305 1.00 0.76 C ATOM 1106 C ASP A 75 64.694 5.641 -0.354 1.00 0.69 C ATOM 1107 O ASP A 75 65.846 5.824 -0.697 1.00 0.65 O ATOM 1108 CB ASP A 75 62.394 6.631 -0.569 1.00 0.81 C ATOM 1109 CG ASP A 75 62.170 8.013 -1.185 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.631 8.227 -2.294 1.00 1.57 O ATOM 1111 OD2 ASP A 75 61.543 8.834 -0.537 1.00 1.49 O ATOM 0 H ASP A 75 63.208 3.811 -1.232 1.00 0.83 H new ATOM 0 HA ASP A 75 63.921 6.524 -2.124 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.480 6.041 -0.633 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.637 6.728 0.489 1.00 0.81 H new ATOM 1116 N GLU A 76 64.404 5.192 0.835 1.00 0.77 N ATOM 1117 CA GLU A 76 65.496 4.892 1.804 1.00 0.78 C ATOM 1118 C GLU A 76 66.396 3.788 1.244 1.00 0.70 C ATOM 1119 O GLU A 76 67.548 3.666 1.609 1.00 0.70 O ATOM 1120 CB GLU A 76 64.783 4.415 3.070 1.00 0.95 C ATOM 1121 CG GLU A 76 63.744 5.454 3.494 1.00 1.51 C ATOM 1122 CD GLU A 76 63.318 5.190 4.940 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.588 4.105 5.427 1.00 1.94 O ATOM 1124 OE2 GLU A 76 62.729 6.077 5.535 1.00 1.72 O ATOM 0 H GLU A 76 63.459 5.020 1.178 1.00 0.77 H new ATOM 0 HA GLU A 76 66.131 5.756 2.000 1.00 0.78 H new ATOM 0 HB2 GLU A 76 64.299 3.455 2.888 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.506 4.261 3.871 1.00 0.95 H new ATOM 0 HG2 GLU A 76 64.160 6.457 3.404 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.878 5.408 2.834 1.00 1.51 H new ATOM 1131 N PHE A 77 65.875 2.984 0.357 1.00 0.72 N ATOM 1132 CA PHE A 77 66.697 1.888 -0.231 1.00 0.73 C ATOM 1133 C PHE A 77 67.899 2.475 -0.975 1.00 0.67 C ATOM 1134 O PHE A 77 69.009 1.993 -0.861 1.00 0.69 O ATOM 1135 CB PHE A 77 65.762 1.168 -1.205 1.00 0.84 C ATOM 1136 CG PHE A 77 66.461 -0.049 -1.764 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.959 -1.031 -0.898 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.610 -0.196 -3.149 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.607 -2.159 -1.417 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.258 -1.324 -3.667 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.756 -2.305 -2.801 1.00 1.46 C ATOM 0 H PHE A 77 64.916 3.039 0.014 1.00 0.72 H new ATOM 0 HA PHE A 77 67.090 1.212 0.528 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.845 0.872 -0.695 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.474 1.840 -2.014 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.843 -0.918 0.170 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.225 0.560 -3.817 1.00 1.32 H new ATOM 0 HE1 PHE A 77 67.992 -2.916 -0.749 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.374 -1.437 -4.735 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.255 -3.175 -3.201 1.00 1.46 H new ATOM 1151 N LEU A 78 67.687 3.515 -1.734 1.00 0.66 N ATOM 1152 CA LEU A 78 68.818 4.136 -2.482 1.00 0.68 C ATOM 1153 C LEU A 78 69.595 5.084 -1.566 1.00 0.62 C ATOM 1154 O LEU A 78 70.722 5.444 -1.841 1.00 0.64 O ATOM 1155 CB LEU A 78 68.158 4.900 -3.631 1.00 0.77 C ATOM 1156 CG LEU A 78 67.140 3.997 -4.332 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.726 4.631 -5.661 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.769 2.627 -4.599 1.00 1.41 C ATOM 0 H LEU A 78 66.780 3.962 -1.869 1.00 0.66 H new ATOM 0 HA LEU A 78 69.533 3.399 -2.848 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.664 5.794 -3.250 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.915 5.232 -4.342 1.00 0.77 H new ATOM 0 HG LEU A 78 66.264 3.878 -3.695 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.001 3.988 -6.161 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.278 5.607 -5.475 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.604 4.750 -6.296 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.044 1.985 -5.098 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.646 2.747 -5.235 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.066 2.173 -3.654 1.00 1.41 H new ATOM 1170 N VAL A 79 69.003 5.479 -0.474 1.00 0.59 N ATOM 1171 CA VAL A 79 69.708 6.392 0.469 1.00 0.61 C ATOM 1172 C VAL A 79 70.772 5.612 1.242 1.00 0.63 C ATOM 1173 O VAL A 79 71.760 6.159 1.690 1.00 0.68 O ATOM 1174 CB VAL A 79 68.618 6.894 1.413 1.00 0.63 C ATOM 1175 CG1 VAL A 79 69.250 7.700 2.548 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.650 7.781 0.632 1.00 0.70 C ATOM 0 H VAL A 79 68.060 5.209 -0.193 1.00 0.59 H new ATOM 0 HA VAL A 79 70.216 7.213 -0.038 1.00 0.61 H new ATOM 0 HB VAL A 79 68.080 6.045 1.835 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.469 8.057 3.220 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.943 7.067 3.102 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.789 8.552 2.133 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.869 8.143 1.300 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.191 8.629 0.213 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.199 7.204 -0.175 1.00 0.70 H new ATOM 1186 N MET A 80 70.570 4.333 1.401 1.00 0.65 N ATOM 1187 CA MET A 80 71.561 3.504 2.144 1.00 0.72 C ATOM 1188 C MET A 80 72.882 3.426 1.372 1.00 0.71 C ATOM 1189 O MET A 80 73.902 3.908 1.823 1.00 0.76 O ATOM 1190 CB MET A 80 70.918 2.120 2.248 1.00 0.80 C ATOM 1191 CG MET A 80 71.365 1.445 3.545 1.00 1.12 C ATOM 1192 SD MET A 80 69.929 1.186 4.616 1.00 2.17 S ATOM 1193 CE MET A 80 69.427 -0.416 3.939 1.00 2.77 C ATOM 0 H MET A 80 69.759 3.825 1.048 1.00 0.65 H new ATOM 0 HA MET A 80 71.795 3.923 3.123 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.832 2.210 2.228 1.00 0.80 H new ATOM 0 HB3 MET A 80 71.203 1.510 1.391 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.845 0.491 3.325 1.00 1.12 H new ATOM 0 HG3 MET A 80 72.104 2.064 4.053 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.430 -0.332 3.508 1.00 2.77 H new ATOM 0 HE2 MET A 80 70.132 -0.721 3.166 1.00 2.77 H new ATOM 0 HE3 MET A 80 69.417 -1.160 4.735 1.00 2.77 H new ATOM 1203 N MET A 81 72.874 2.821 0.213 1.00 0.69 N ATOM 1204 CA MET A 81 74.140 2.717 -0.574 1.00 0.74 C ATOM 1205 C MET A 81 74.818 4.087 -0.664 1.00 0.75 C ATOM 1206 O MET A 81 76.027 4.194 -0.594 1.00 0.82 O ATOM 1207 CB MET A 81 73.738 2.214 -1.965 1.00 0.73 C ATOM 1208 CG MET A 81 72.515 2.980 -2.483 1.00 0.89 C ATOM 1209 SD MET A 81 71.398 1.833 -3.334 1.00 1.41 S ATOM 1210 CE MET A 81 71.253 0.604 -2.011 1.00 1.21 C ATOM 0 H MET A 81 72.054 2.397 -0.220 1.00 0.69 H new ATOM 0 HA MET A 81 74.852 2.038 -0.105 1.00 0.74 H new ATOM 0 HB2 MET A 81 74.571 2.337 -2.657 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.515 1.148 -1.922 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.996 3.461 -1.654 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.830 3.771 -3.164 1.00 0.89 H new ATOM 0 HE1 MET A 81 70.257 0.162 -2.032 1.00 1.21 H new ATOM 0 HE2 MET A 81 71.999 -0.177 -2.156 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.416 1.086 -1.047 1.00 1.21 H new ATOM 1220 N VAL A 82 74.054 5.136 -0.807 1.00 0.72 N ATOM 1221 CA VAL A 82 74.669 6.492 -0.888 1.00 0.78 C ATOM 1222 C VAL A 82 75.746 6.630 0.190 1.00 0.81 C ATOM 1223 O VAL A 82 76.915 6.790 -0.101 1.00 0.93 O ATOM 1224 CB VAL A 82 73.522 7.467 -0.628 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.082 8.881 -0.465 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.552 7.441 -1.809 1.00 1.36 C ATOM 0 H VAL A 82 73.036 5.114 -0.871 1.00 0.72 H new ATOM 0 HA VAL A 82 75.145 6.679 -1.851 1.00 0.78 H new ATOM 0 HB VAL A 82 72.997 7.174 0.282 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.264 9.577 -0.279 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.775 8.903 0.376 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.606 9.172 -1.375 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.734 8.137 -1.623 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.078 7.733 -2.718 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.152 6.434 -1.929 1.00 1.36 H new ATOM 1236 N ARG A 83 75.359 6.558 1.434 1.00 0.79 N ATOM 1237 CA ARG A 83 76.358 6.671 2.533 1.00 0.85 C ATOM 1238 C ARG A 83 77.171 5.378 2.626 1.00 0.90 C ATOM 1239 O ARG A 83 78.198 5.321 3.270 1.00 1.00 O ATOM 1240 CB ARG A 83 75.530 6.876 3.803 1.00 0.87 C ATOM 1241 CG ARG A 83 75.138 8.349 3.927 1.00 1.07 C ATOM 1242 CD ARG A 83 74.596 8.617 5.333 1.00 0.92 C ATOM 1243 NE ARG A 83 75.730 8.316 6.250 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.613 8.538 7.532 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.478 8.958 8.025 1.00 2.14 N ATOM 1246 NH2 ARG A 83 76.632 8.341 8.323 1.00 2.49 N ATOM 0 H ARG A 83 74.394 6.426 1.737 1.00 0.79 H new ATOM 0 HA ARG A 83 77.063 7.487 2.374 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.636 6.253 3.771 1.00 0.87 H new ATOM 0 HB3 ARG A 83 76.103 6.567 4.677 1.00 0.87 H new ATOM 0 HG2 ARG A 83 76.002 8.984 3.732 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.384 8.599 3.181 1.00 1.07 H new ATOM 0 HD2 ARG A 83 74.268 9.651 5.438 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.735 7.985 5.551 1.00 0.92 H new ATOM 0 HE ARG A 83 76.600 7.936 5.876 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.680 9.113 7.408 1.00 2.14 H new ATOM 0 HH12 ARG A 83 74.390 9.130 9.026 1.00 2.14 H new ATOM 0 HH21 ARG A 83 77.519 8.014 7.940 1.00 2.49 H new ATOM 0 HH22 ARG A 83 76.541 8.514 9.324 1.00 2.49 H new ATOM 1260 N SER A 84 76.713 4.337 1.981 1.00 0.92 N ATOM 1261 CA SER A 84 77.450 3.042 2.025 1.00 1.01 C ATOM 1262 C SER A 84 77.943 2.668 0.624 1.00 1.06 C ATOM 1263 O SER A 84 77.829 1.535 0.198 1.00 1.38 O ATOM 1264 CB SER A 84 76.426 2.021 2.520 1.00 1.04 C ATOM 1265 OG SER A 84 75.850 2.485 3.734 1.00 1.52 O ATOM 0 H SER A 84 75.858 4.329 1.425 1.00 0.92 H new ATOM 0 HA SER A 84 78.327 3.087 2.671 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.650 1.873 1.769 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.905 1.055 2.677 1.00 1.04 H new ATOM 0 HG SER A 84 75.083 3.061 3.533 1.00 1.52 H new ATOM 1271 N MET A 85 78.489 3.608 -0.096 1.00 0.00 N ATOM 1272 CA MET A 85 78.986 3.303 -1.468 1.00 0.00 C ATOM 1273 C MET A 85 80.455 3.711 -1.605 1.00 0.00 C ATOM 1274 O MET A 85 81.351 2.930 -1.354 1.00 0.00 O ATOM 1275 CB MET A 85 78.108 4.138 -2.400 1.00 0.00 C ATOM 1276 CG MET A 85 77.011 3.254 -2.999 1.00 0.00 C ATOM 1277 SD MET A 85 76.997 3.445 -4.798 1.00 0.00 S ATOM 1278 CE MET A 85 75.284 4.007 -4.954 1.00 0.00 C ATOM 0 H MET A 85 78.613 4.574 0.206 1.00 0.00 H new ATOM 0 HA MET A 85 78.932 2.239 -1.699 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.662 4.967 -1.850 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.714 4.572 -3.195 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.185 2.211 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.041 3.530 -2.586 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.756 3.372 -5.666 1.00 0.00 H new ATOM 0 HE2 MET A 85 74.792 3.950 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.270 5.038 -5.308 1.00 0.00 H new ATOM 1288 N LYS A 86 80.709 4.927 -2.001 1.00 0.00 N ATOM 1289 CA LYS A 86 82.121 5.384 -2.154 1.00 0.00 C ATOM 1290 C LYS A 86 82.165 6.902 -2.373 1.00 0.00 C ATOM 1291 O LYS A 86 81.552 7.655 -1.642 1.00 0.00 O ATOM 1292 CB LYS A 86 82.644 4.635 -3.382 1.00 0.00 C ATOM 1293 CG LYS A 86 81.784 4.981 -4.599 1.00 0.00 C ATOM 1294 CD LYS A 86 82.324 4.254 -5.830 1.00 0.00 C ATOM 1295 CE LYS A 86 81.193 3.470 -6.498 1.00 0.00 C ATOM 1296 NZ LYS A 86 81.830 2.784 -7.656 1.00 0.00 N ATOM 0 H LYS A 86 80.000 5.625 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 86 82.725 5.181 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.683 4.905 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.621 3.560 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.748 4.693 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.791 6.058 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.747 4.972 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 86 83.129 3.578 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 86 80.750 2.751 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 86 80.392 4.134 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 81.115 2.225 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 82.237 3.493 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 82.584 2.154 -7.315 1.00 0.00 H new ATOM 1310 N ASP A 87 82.883 7.360 -3.366 1.00 0.00 N ATOM 1311 CA ASP A 87 82.959 8.829 -3.620 1.00 0.00 C ATOM 1312 C ASP A 87 81.579 9.472 -3.451 1.00 0.00 C ATOM 1313 O ASP A 87 81.463 10.638 -3.131 1.00 0.00 O ATOM 1314 CB ASP A 87 83.433 8.956 -5.068 1.00 0.00 C ATOM 1315 CG ASP A 87 84.020 10.351 -5.293 1.00 0.00 C ATOM 1316 OD1 ASP A 87 83.512 11.288 -4.701 1.00 0.00 O ATOM 1317 OD2 ASP A 87 84.966 10.457 -6.055 1.00 0.00 O ATOM 0 H ASP A 87 83.419 6.780 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 87 83.630 9.332 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 87 84.183 8.195 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 87 82.600 8.786 -5.751 1.00 0.00 H new ATOM 1322 N ASP A 88 80.533 8.721 -3.663 1.00 0.00 N ATOM 1323 CA ASP A 88 79.163 9.291 -3.515 1.00 0.00 C ATOM 1324 C ASP A 88 78.685 9.158 -2.066 1.00 0.00 C ATOM 1325 O ASP A 88 77.501 9.135 -1.793 1.00 0.00 O ATOM 1326 CB ASP A 88 78.283 8.457 -4.445 1.00 0.00 C ATOM 1327 CG ASP A 88 78.448 6.973 -4.108 1.00 0.00 C ATOM 1328 OD1 ASP A 88 79.444 6.400 -4.517 1.00 0.00 O ATOM 1329 OD2 ASP A 88 77.575 6.435 -3.447 1.00 0.00 O ATOM 0 H ASP A 88 80.567 7.738 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 88 79.131 10.352 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 88 77.239 8.752 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 78.559 8.638 -5.484 1.00 0.00 H new ATOM 1334 N SER A 89 79.594 9.067 -1.136 1.00 0.00 N ATOM 1335 CA SER A 89 79.186 8.935 0.292 1.00 0.00 C ATOM 1336 C SER A 89 78.559 10.242 0.786 1.00 0.00 C ATOM 1337 O SER A 89 78.853 11.274 0.205 1.00 0.00 O ATOM 1338 CB SER A 89 80.480 8.639 1.048 1.00 0.00 C ATOM 1339 OG SER A 89 80.213 8.617 2.444 1.00 0.00 O ATOM 1340 OXT SER A 89 77.798 10.188 1.738 1.00 0.00 O ATOM 0 H SER A 89 80.600 9.078 -1.302 1.00 0.00 H new ATOM 0 HA SER A 89 78.442 8.152 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 89 80.890 7.681 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 89 81.229 9.398 0.821 1.00 0.00 H new ATOM 0 HG SER A 89 81.041 8.426 2.932 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 62.081 3.931 6.916 1.00 1.15 CA