USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -61:sc= 0.971 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00285 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.324 F(o=-2.4,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.148 (180deg=-0.576) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0727 (180deg=-0.428) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 38 THR OG1 : rot -40:sc= 0.049 USER MOD Single : A 39 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.2!) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0.731 (180deg=0.559) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.672 X(o=-0.67,f=-0.37) USER MOD Single : A 68 TYR OH : rot -153:sc= -0.0376 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -140:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -5.799 2.457 4.172 1.00 31.15 N ATOM 2 CA HIS A 1 -5.231 1.714 3.054 1.00 64.25 C ATOM 3 C HIS A 1 -5.799 0.299 2.996 1.00 23.14 C ATOM 4 O HIS A 1 -5.947 -0.362 4.024 1.00 71.45 O ATOM 5 CB HIS A 1 -3.707 1.660 3.171 1.00 31.22 C ATOM 6 CG HIS A 1 -3.036 2.964 2.869 1.00 55.34 C ATOM 7 ND1 HIS A 1 -2.057 3.511 3.671 1.00 14.20 N ATOM 8 CD2 HIS A 1 -3.208 3.831 1.843 1.00 63.10 C ATOM 9 CE1 HIS A 1 -1.657 4.659 3.153 1.00 22.51 C ATOM 10 NE2 HIS A 1 -2.339 4.875 2.043 1.00 1.40 N ATOM 0 H1 HIS A 1 -5.398 3.416 4.191 1.00 31.15 H new ATOM 0 H2 HIS A 1 -6.831 2.516 4.061 1.00 31.15 H new ATOM 0 H3 HIS A 1 -5.574 1.970 5.063 1.00 31.15 H new ATOM 0 HA HIS A 1 -5.499 2.232 2.133 1.00 64.25 H new ATOM 0 HB2 HIS A 1 -3.439 1.348 4.181 1.00 31.22 H new ATOM 0 HB3 HIS A 1 -3.325 0.899 2.491 1.00 31.22 H new ATOM 0 HD2 HIS A 1 -3.900 3.722 1.021 1.00 63.10 H new ATOM 0 HE1 HIS A 1 -0.901 5.310 3.567 1.00 22.51 H new ATOM 0 HE2 HIS A 1 -2.237 5.686 1.433 1.00 1.40 H new ATOM 18 N MET A 2 -6.115 -0.158 1.789 1.00 31.22 N ATOM 19 CA MET A 2 -6.667 -1.495 1.599 1.00 45.20 C ATOM 20 C MET A 2 -6.035 -2.176 0.389 1.00 74.11 C ATOM 21 O MET A 2 -5.550 -1.511 -0.528 1.00 35.32 O ATOM 22 CB MET A 2 -8.185 -1.423 1.424 1.00 23.35 C ATOM 23 CG MET A 2 -8.943 -1.317 2.738 1.00 71.44 C ATOM 24 SD MET A 2 -9.319 -2.929 3.454 1.00 14.43 S ATOM 25 CE MET A 2 -11.095 -2.992 3.230 1.00 73.53 C ATOM 0 H MET A 2 -5.999 0.377 0.928 1.00 31.22 H new ATOM 0 HA MET A 2 -6.439 -2.085 2.486 1.00 45.20 H new ATOM 0 HB2 MET A 2 -8.431 -0.562 0.802 1.00 23.35 H new ATOM 0 HB3 MET A 2 -8.524 -2.310 0.889 1.00 23.35 H new ATOM 0 HG2 MET A 2 -8.353 -0.737 3.448 1.00 71.44 H new ATOM 0 HG3 MET A 2 -9.872 -0.771 2.574 1.00 71.44 H new ATOM 0 HE1 MET A 2 -11.478 -3.933 3.625 1.00 73.53 H new ATOM 0 HE2 MET A 2 -11.558 -2.160 3.761 1.00 73.53 H new ATOM 0 HE3 MET A 2 -11.331 -2.921 2.168 1.00 73.53 H new ATOM 35 N LEU A 3 -6.044 -3.504 0.392 1.00 34.40 N ATOM 36 CA LEU A 3 -5.472 -4.276 -0.706 1.00 34.00 C ATOM 37 C LEU A 3 -6.333 -4.159 -1.960 1.00 31.31 C ATOM 38 O LEU A 3 -7.530 -4.443 -1.932 1.00 12.25 O ATOM 39 CB LEU A 3 -5.333 -5.745 -0.304 1.00 61.44 C ATOM 40 CG LEU A 3 -4.155 -6.082 0.610 1.00 24.31 C ATOM 41 CD1 LEU A 3 -4.439 -5.633 2.035 1.00 74.50 C ATOM 42 CD2 LEU A 3 -3.857 -7.574 0.568 1.00 5.03 C ATOM 0 H LEU A 3 -6.441 -4.069 1.143 1.00 34.40 H new ATOM 0 HA LEU A 3 -4.484 -3.871 -0.927 1.00 34.00 H new ATOM 0 HB2 LEU A 3 -6.253 -6.053 0.193 1.00 61.44 H new ATOM 0 HB3 LEU A 3 -5.245 -6.343 -1.211 1.00 61.44 H new ATOM 0 HG LEU A 3 -3.276 -5.546 0.251 1.00 24.31 H new ATOM 0 HD11 LEU A 3 -3.589 -5.881 2.671 1.00 74.50 H new ATOM 0 HD12 LEU A 3 -4.602 -4.555 2.051 1.00 74.50 H new ATOM 0 HD13 LEU A 3 -5.330 -6.140 2.406 1.00 74.50 H new ATOM 0 HD21 LEU A 3 -3.016 -7.796 1.225 1.00 5.03 H new ATOM 0 HD22 LEU A 3 -4.734 -8.130 0.901 1.00 5.03 H new ATOM 0 HD23 LEU A 3 -3.608 -7.867 -0.452 1.00 5.03 H new ATOM 54 N ALA A 4 -5.714 -3.742 -3.059 1.00 71.04 N ATOM 55 CA ALA A 4 -6.422 -3.592 -4.325 1.00 34.24 C ATOM 56 C ALA A 4 -6.754 -4.951 -4.932 1.00 40.24 C ATOM 57 O ALA A 4 -5.965 -5.892 -4.843 1.00 13.01 O ATOM 58 CB ALA A 4 -5.596 -2.764 -5.297 1.00 62.13 C ATOM 0 H ALA A 4 -4.723 -3.502 -3.099 1.00 71.04 H new ATOM 0 HA ALA A 4 -7.360 -3.072 -4.130 1.00 34.24 H new ATOM 0 HB1 ALA A 4 -6.137 -2.660 -6.238 1.00 62.13 H new ATOM 0 HB2 ALA A 4 -5.415 -1.777 -4.872 1.00 62.13 H new ATOM 0 HB3 ALA A 4 -4.643 -3.261 -5.479 1.00 62.13 H new ATOM 64 N LYS A 5 -7.926 -5.047 -5.550 1.00 52.05 N ATOM 65 CA LYS A 5 -8.363 -6.290 -6.174 1.00 71.42 C ATOM 66 C LYS A 5 -8.656 -6.082 -7.657 1.00 1.14 C ATOM 67 O LYS A 5 -9.505 -5.270 -8.022 1.00 43.41 O ATOM 68 CB LYS A 5 -9.610 -6.829 -5.468 1.00 45.21 C ATOM 69 CG LYS A 5 -9.411 -7.066 -3.981 1.00 15.20 C ATOM 70 CD LYS A 5 -8.838 -8.446 -3.708 1.00 21.21 C ATOM 71 CE LYS A 5 -8.444 -8.607 -2.248 1.00 21.14 C ATOM 72 NZ LYS A 5 -8.366 -10.040 -1.849 1.00 15.33 N ATOM 0 H LYS A 5 -8.591 -4.278 -5.632 1.00 52.05 H new ATOM 0 HA LYS A 5 -7.556 -7.017 -6.080 1.00 71.42 H new ATOM 0 HB2 LYS A 5 -10.430 -6.125 -5.609 1.00 45.21 H new ATOM 0 HB3 LYS A 5 -9.909 -7.765 -5.940 1.00 45.21 H new ATOM 0 HG2 LYS A 5 -8.741 -6.307 -3.577 1.00 15.20 H new ATOM 0 HG3 LYS A 5 -10.364 -6.958 -3.464 1.00 15.20 H new ATOM 0 HD2 LYS A 5 -9.573 -9.205 -3.973 1.00 21.21 H new ATOM 0 HD3 LYS A 5 -7.966 -8.611 -4.341 1.00 21.21 H new ATOM 0 HE2 LYS A 5 -7.479 -8.130 -2.078 1.00 21.14 H new ATOM 0 HE3 LYS A 5 -9.170 -8.093 -1.617 1.00 21.14 H new ATOM 0 HZ1 LYS A 5 -8.095 -10.107 -0.847 1.00 15.33 H new ATOM 0 HZ2 LYS A 5 -9.293 -10.490 -1.988 1.00 15.33 H new ATOM 0 HZ3 LYS A 5 -7.655 -10.525 -2.433 1.00 15.33 H new ATOM 86 N GLU A 6 -7.948 -6.822 -8.505 1.00 14.12 N ATOM 87 CA GLU A 6 -8.134 -6.717 -9.947 1.00 73.23 C ATOM 88 C GLU A 6 -8.931 -7.904 -10.481 1.00 33.23 C ATOM 89 O GLU A 6 -8.765 -9.034 -10.021 1.00 62.22 O ATOM 90 CB GLU A 6 -6.779 -6.640 -10.654 1.00 54.31 C ATOM 91 CG GLU A 6 -6.176 -5.245 -10.662 1.00 71.22 C ATOM 92 CD GLU A 6 -5.892 -4.724 -9.267 1.00 32.33 C ATOM 93 OE1 GLU A 6 -6.217 -3.550 -8.994 1.00 1.14 O ATOM 94 OE2 GLU A 6 -5.345 -5.492 -8.447 1.00 72.14 O ATOM 0 H GLU A 6 -7.242 -7.500 -8.218 1.00 14.12 H new ATOM 0 HA GLU A 6 -8.694 -5.804 -10.149 1.00 73.23 H new ATOM 0 HB2 GLU A 6 -6.085 -7.324 -10.166 1.00 54.31 H new ATOM 0 HB3 GLU A 6 -6.895 -6.983 -11.682 1.00 54.31 H new ATOM 0 HG2 GLU A 6 -5.250 -5.257 -11.237 1.00 71.22 H new ATOM 0 HG3 GLU A 6 -6.857 -4.562 -11.169 1.00 71.22 H new ATOM 101 N ASP A 7 -9.797 -7.639 -11.452 1.00 55.33 N ATOM 102 CA ASP A 7 -10.621 -8.684 -12.049 1.00 44.04 C ATOM 103 C ASP A 7 -10.306 -8.842 -13.534 1.00 24.44 C ATOM 104 O ASP A 7 -9.891 -7.891 -14.196 1.00 11.44 O ATOM 105 CB ASP A 7 -12.104 -8.364 -11.862 1.00 14.14 C ATOM 106 CG ASP A 7 -12.409 -7.821 -10.479 1.00 51.13 C ATOM 107 OD1 ASP A 7 -12.728 -8.628 -9.581 1.00 64.42 O ATOM 108 OD2 ASP A 7 -12.328 -6.589 -10.295 1.00 53.44 O ATOM 0 H ASP A 7 -9.947 -6.709 -11.843 1.00 55.33 H new ATOM 0 HA ASP A 7 -10.394 -9.623 -11.545 1.00 44.04 H new ATOM 0 HB2 ASP A 7 -12.413 -7.635 -12.612 1.00 14.14 H new ATOM 0 HB3 ASP A 7 -12.692 -9.266 -12.033 1.00 14.14 H new ATOM 113 N TYR A 8 -10.504 -10.050 -14.049 1.00 62.34 N ATOM 114 CA TYR A 8 -10.238 -10.334 -15.455 1.00 25.45 C ATOM 115 C TYR A 8 -11.013 -9.382 -16.359 1.00 51.14 C ATOM 116 O TYR A 8 -10.577 -9.066 -17.467 1.00 22.04 O ATOM 117 CB TYR A 8 -10.607 -11.782 -15.783 1.00 12.12 C ATOM 118 CG TYR A 8 -10.020 -12.790 -14.821 1.00 43.10 C ATOM 119 CD1 TYR A 8 -10.783 -13.845 -14.338 1.00 21.53 C ATOM 120 CD2 TYR A 8 -8.701 -12.687 -14.396 1.00 64.14 C ATOM 121 CE1 TYR A 8 -10.250 -14.768 -13.458 1.00 73.14 C ATOM 122 CE2 TYR A 8 -8.159 -13.606 -13.518 1.00 51.04 C ATOM 123 CZ TYR A 8 -8.938 -14.644 -13.052 1.00 31.32 C ATOM 124 OH TYR A 8 -8.403 -15.562 -12.177 1.00 74.20 O ATOM 0 H TYR A 8 -10.848 -10.848 -13.515 1.00 62.34 H new ATOM 0 HA TYR A 8 -9.173 -10.188 -15.634 1.00 25.45 H new ATOM 0 HB2 TYR A 8 -11.693 -11.881 -15.782 1.00 12.12 H new ATOM 0 HB3 TYR A 8 -10.267 -12.015 -16.792 1.00 12.12 H new ATOM 0 HD1 TYR A 8 -11.810 -13.946 -14.655 1.00 21.53 H new ATOM 0 HD2 TYR A 8 -8.089 -11.874 -14.758 1.00 64.14 H new ATOM 0 HE1 TYR A 8 -10.858 -15.582 -13.090 1.00 73.14 H new ATOM 0 HE2 TYR A 8 -7.132 -13.512 -13.199 1.00 51.04 H new ATOM 0 HH TYR A 8 -8.907 -15.545 -11.337 1.00 74.20 H new ATOM 134 N TYR A 9 -12.165 -8.927 -15.880 1.00 32.45 N ATOM 135 CA TYR A 9 -13.004 -8.012 -16.644 1.00 61.24 C ATOM 136 C TYR A 9 -12.202 -6.803 -17.116 1.00 23.21 C ATOM 137 O TYR A 9 -12.249 -6.433 -18.289 1.00 20.23 O ATOM 138 CB TYR A 9 -14.193 -7.551 -15.801 1.00 35.35 C ATOM 139 CG TYR A 9 -15.068 -8.686 -15.316 1.00 4.34 C ATOM 140 CD1 TYR A 9 -14.927 -9.198 -14.032 1.00 3.11 C ATOM 141 CD2 TYR A 9 -16.035 -9.245 -16.141 1.00 54.34 C ATOM 142 CE1 TYR A 9 -15.723 -10.235 -13.585 1.00 43.22 C ATOM 143 CE2 TYR A 9 -16.837 -10.281 -15.703 1.00 1.24 C ATOM 144 CZ TYR A 9 -16.676 -10.773 -14.424 1.00 14.30 C ATOM 145 OH TYR A 9 -17.472 -11.805 -13.982 1.00 53.33 O ATOM 0 H TYR A 9 -12.540 -9.177 -14.965 1.00 32.45 H new ATOM 0 HA TYR A 9 -13.374 -8.545 -17.520 1.00 61.24 H new ATOM 0 HB2 TYR A 9 -13.823 -6.995 -14.940 1.00 35.35 H new ATOM 0 HB3 TYR A 9 -14.799 -6.862 -16.389 1.00 35.35 H new ATOM 0 HD1 TYR A 9 -14.182 -8.778 -13.372 1.00 3.11 H new ATOM 0 HD2 TYR A 9 -16.162 -8.863 -17.143 1.00 54.34 H new ATOM 0 HE1 TYR A 9 -15.600 -10.622 -12.584 1.00 43.22 H new ATOM 0 HE2 TYR A 9 -17.585 -10.703 -16.357 1.00 1.24 H new ATOM 0 HH TYR A 9 -18.092 -12.068 -14.694 1.00 53.33 H new ATOM 155 N GLN A 10 -11.465 -6.193 -16.193 1.00 35.23 N ATOM 156 CA GLN A 10 -10.653 -5.026 -16.513 1.00 44.12 C ATOM 157 C GLN A 10 -9.417 -5.426 -17.312 1.00 42.04 C ATOM 158 O GLN A 10 -8.936 -4.665 -18.152 1.00 41.25 O ATOM 159 CB GLN A 10 -10.234 -4.302 -15.232 1.00 62.51 C ATOM 160 CG GLN A 10 -11.407 -3.847 -14.379 1.00 61.51 C ATOM 161 CD GLN A 10 -12.093 -2.617 -14.939 1.00 73.31 C ATOM 162 OE1 GLN A 10 -11.539 -1.518 -14.916 1.00 64.21 O ATOM 163 NE2 GLN A 10 -13.307 -2.796 -15.447 1.00 13.23 N ATOM 0 H GLN A 10 -11.414 -6.488 -15.218 1.00 35.23 H new ATOM 0 HA GLN A 10 -11.255 -4.352 -17.122 1.00 44.12 H new ATOM 0 HB2 GLN A 10 -9.601 -4.964 -14.641 1.00 62.51 H new ATOM 0 HB3 GLN A 10 -9.629 -3.434 -15.496 1.00 62.51 H new ATOM 0 HG2 GLN A 10 -12.131 -4.658 -14.301 1.00 61.51 H new ATOM 0 HG3 GLN A 10 -11.056 -3.635 -13.369 1.00 61.51 H new ATOM 0 HE21 GLN A 10 -13.729 -3.725 -15.446 1.00 13.23 H new ATOM 0 HE22 GLN A 10 -13.818 -2.005 -15.839 1.00 13.23 H new ATOM 172 N ILE A 11 -8.908 -6.624 -17.045 1.00 43.21 N ATOM 173 CA ILE A 11 -7.728 -7.125 -17.740 1.00 54.52 C ATOM 174 C ILE A 11 -8.001 -7.297 -19.231 1.00 22.44 C ATOM 175 O ILE A 11 -7.078 -7.293 -20.046 1.00 62.13 O ATOM 176 CB ILE A 11 -7.260 -8.470 -17.156 1.00 25.20 C ATOM 177 CG1 ILE A 11 -6.966 -8.328 -15.661 1.00 54.50 C ATOM 178 CG2 ILE A 11 -6.028 -8.969 -17.897 1.00 74.35 C ATOM 179 CD1 ILE A 11 -6.725 -9.648 -14.964 1.00 32.11 C ATOM 0 H ILE A 11 -9.294 -7.266 -16.353 1.00 43.21 H new ATOM 0 HA ILE A 11 -6.940 -6.385 -17.600 1.00 54.52 H new ATOM 0 HB ILE A 11 -8.058 -9.201 -17.283 1.00 25.20 H new ATOM 0 HG12 ILE A 11 -6.090 -7.692 -15.530 1.00 54.50 H new ATOM 0 HG13 ILE A 11 -7.803 -7.821 -15.181 1.00 54.50 H new ATOM 0 HG21 ILE A 11 -5.709 -9.921 -17.473 1.00 74.35 H new ATOM 0 HG22 ILE A 11 -6.268 -9.104 -18.952 1.00 74.35 H new ATOM 0 HG23 ILE A 11 -5.224 -8.240 -17.798 1.00 74.35 H new ATOM 0 HD11 ILE A 11 -6.523 -9.470 -13.908 1.00 32.11 H new ATOM 0 HD12 ILE A 11 -7.609 -10.279 -15.063 1.00 32.11 H new ATOM 0 HD13 ILE A 11 -5.869 -10.148 -15.418 1.00 32.11 H new ATOM 191 N LEU A 12 -9.274 -7.448 -19.580 1.00 45.10 N ATOM 192 CA LEU A 12 -9.669 -7.620 -20.974 1.00 31.34 C ATOM 193 C LEU A 12 -10.437 -6.402 -21.477 1.00 4.14 C ATOM 194 O LEU A 12 -10.625 -6.227 -22.680 1.00 30.43 O ATOM 195 CB LEU A 12 -10.527 -8.877 -21.129 1.00 63.40 C ATOM 196 CG LEU A 12 -9.766 -10.190 -21.320 1.00 5.24 C ATOM 197 CD1 LEU A 12 -10.727 -11.368 -21.327 1.00 61.22 C ATOM 198 CD2 LEU A 12 -8.953 -10.153 -22.606 1.00 34.41 C ATOM 0 H LEU A 12 -10.050 -7.455 -18.918 1.00 45.10 H new ATOM 0 HA LEU A 12 -8.764 -7.728 -21.572 1.00 31.34 H new ATOM 0 HB2 LEU A 12 -11.160 -8.972 -20.246 1.00 63.40 H new ATOM 0 HB3 LEU A 12 -11.190 -8.737 -21.983 1.00 63.40 H new ATOM 0 HG LEU A 12 -9.079 -10.315 -20.483 1.00 5.24 H new ATOM 0 HD11 LEU A 12 -10.167 -12.293 -21.464 1.00 61.22 H new ATOM 0 HD12 LEU A 12 -11.264 -11.405 -20.379 1.00 61.22 H new ATOM 0 HD13 LEU A 12 -11.440 -11.251 -22.143 1.00 61.22 H new ATOM 0 HD21 LEU A 12 -8.418 -11.095 -22.726 1.00 34.41 H new ATOM 0 HD22 LEU A 12 -9.621 -10.005 -23.455 1.00 34.41 H new ATOM 0 HD23 LEU A 12 -8.237 -9.333 -22.560 1.00 34.41 H new ATOM 210 N GLY A 13 -10.876 -5.560 -20.546 1.00 0.20 N ATOM 211 CA GLY A 13 -11.616 -4.367 -20.915 1.00 20.13 C ATOM 212 C GLY A 13 -13.063 -4.665 -21.254 1.00 40.54 C ATOM 213 O GLY A 13 -13.617 -4.095 -22.195 1.00 33.13 O ATOM 0 H GLY A 13 -10.733 -5.683 -19.544 1.00 0.20 H new ATOM 0 HA2 GLY A 13 -11.578 -3.651 -20.094 1.00 20.13 H new ATOM 0 HA3 GLY A 13 -11.135 -3.895 -21.772 1.00 20.13 H new ATOM 217 N VAL A 14 -13.677 -5.561 -20.488 1.00 40.24 N ATOM 218 CA VAL A 14 -15.068 -5.934 -20.713 1.00 54.34 C ATOM 219 C VAL A 14 -15.901 -5.736 -19.452 1.00 13.40 C ATOM 220 O VAL A 14 -15.400 -5.805 -18.330 1.00 22.43 O ATOM 221 CB VAL A 14 -15.190 -7.399 -21.171 1.00 22.54 C ATOM 222 CG1 VAL A 14 -14.349 -7.642 -22.415 1.00 33.21 C ATOM 223 CG2 VAL A 14 -14.781 -8.343 -20.049 1.00 14.50 C ATOM 0 H VAL A 14 -13.233 -6.042 -19.706 1.00 40.24 H new ATOM 0 HA VAL A 14 -15.446 -5.283 -21.501 1.00 54.34 H new ATOM 0 HB VAL A 14 -16.232 -7.597 -21.422 1.00 22.54 H new ATOM 0 HG11 VAL A 14 -14.448 -8.683 -22.724 1.00 33.21 H new ATOM 0 HG12 VAL A 14 -14.692 -6.991 -23.219 1.00 33.21 H new ATOM 0 HG13 VAL A 14 -13.303 -7.427 -22.195 1.00 33.21 H new ATOM 0 HG21 VAL A 14 -14.873 -9.374 -20.389 1.00 14.50 H new ATOM 0 HG22 VAL A 14 -13.747 -8.145 -19.766 1.00 14.50 H new ATOM 0 HG23 VAL A 14 -15.430 -8.186 -19.187 1.00 14.50 H new ATOM 233 N PRO A 15 -17.205 -5.483 -19.638 1.00 14.24 N ATOM 234 CA PRO A 15 -18.137 -5.270 -18.526 1.00 23.43 C ATOM 235 C PRO A 15 -18.397 -6.548 -17.735 1.00 64.10 C ATOM 236 O PRO A 15 -17.946 -7.628 -18.117 1.00 61.11 O ATOM 237 CB PRO A 15 -19.418 -4.802 -19.220 1.00 44.45 C ATOM 238 CG PRO A 15 -19.333 -5.370 -20.595 1.00 30.42 C ATOM 239 CD PRO A 15 -17.871 -5.385 -20.947 1.00 73.54 C ATOM 0 HA PRO A 15 -17.746 -4.559 -17.798 1.00 23.43 H new ATOM 0 HB2 PRO A 15 -20.305 -5.161 -18.698 1.00 44.45 H new ATOM 0 HB3 PRO A 15 -19.480 -3.714 -19.244 1.00 44.45 H new ATOM 0 HG2 PRO A 15 -19.753 -6.375 -20.629 1.00 30.42 H new ATOM 0 HG3 PRO A 15 -19.899 -4.764 -21.303 1.00 30.42 H new ATOM 0 HD2 PRO A 15 -17.621 -6.230 -21.589 1.00 73.54 H new ATOM 0 HD3 PRO A 15 -17.577 -4.481 -21.481 1.00 73.54 H new ATOM 247 N ARG A 16 -19.126 -6.418 -16.632 1.00 10.32 N ATOM 248 CA ARG A 16 -19.445 -7.562 -15.787 1.00 70.41 C ATOM 249 C ARG A 16 -20.588 -8.377 -16.385 1.00 31.41 C ATOM 250 O ARG A 16 -20.918 -9.455 -15.893 1.00 33.43 O ATOM 251 CB ARG A 16 -19.819 -7.096 -14.379 1.00 51.31 C ATOM 252 CG ARG A 16 -18.698 -6.360 -13.663 1.00 71.03 C ATOM 253 CD ARG A 16 -18.763 -4.862 -13.919 1.00 23.34 C ATOM 254 NE ARG A 16 -18.074 -4.100 -12.880 1.00 54.13 N ATOM 255 CZ ARG A 16 -17.720 -2.827 -13.016 1.00 65.14 C ATOM 256 NH1 ARG A 16 -17.987 -2.177 -14.141 1.00 31.52 N ATOM 257 NH2 ARG A 16 -17.096 -2.201 -12.026 1.00 70.43 N ATOM 0 H ARG A 16 -19.507 -5.531 -16.302 1.00 10.32 H new ATOM 0 HA ARG A 16 -18.560 -8.196 -15.729 1.00 70.41 H new ATOM 0 HB2 ARG A 16 -20.689 -6.443 -14.441 1.00 51.31 H new ATOM 0 HB3 ARG A 16 -20.112 -7.962 -13.785 1.00 51.31 H new ATOM 0 HG2 ARG A 16 -18.762 -6.550 -12.592 1.00 71.03 H new ATOM 0 HG3 ARG A 16 -17.735 -6.746 -13.998 1.00 71.03 H new ATOM 0 HD2 ARG A 16 -18.316 -4.640 -14.888 1.00 23.34 H new ATOM 0 HD3 ARG A 16 -19.805 -4.547 -13.969 1.00 23.34 H new ATOM 0 HE ARG A 16 -17.853 -4.571 -12.003 1.00 54.13 H new ATOM 0 HH11 ARG A 16 -18.465 -2.655 -14.905 1.00 31.52 H new ATOM 0 HH12 ARG A 16 -17.714 -1.199 -14.242 1.00 31.52 H new ATOM 0 HH21 ARG A 16 -16.888 -2.697 -11.160 1.00 70.43 H new ATOM 0 HH22 ARG A 16 -16.825 -1.223 -12.132 1.00 70.43 H new ATOM 271 N ASN A 17 -21.188 -7.854 -17.449 1.00 13.42 N ATOM 272 CA ASN A 17 -22.295 -8.532 -18.113 1.00 53.01 C ATOM 273 C ASN A 17 -21.881 -9.022 -19.497 1.00 50.23 C ATOM 274 O ASN A 17 -22.686 -9.595 -20.231 1.00 11.51 O ATOM 275 CB ASN A 17 -23.499 -7.594 -18.231 1.00 24.33 C ATOM 276 CG ASN A 17 -24.371 -7.615 -16.991 1.00 32.34 C ATOM 277 OD1 ASN A 17 -24.538 -8.655 -16.353 1.00 72.21 O ATOM 278 ND2 ASN A 17 -24.933 -6.463 -16.643 1.00 71.31 N ATOM 0 H ASN A 17 -20.926 -6.963 -17.870 1.00 13.42 H new ATOM 0 HA ASN A 17 -22.574 -9.396 -17.509 1.00 53.01 H new ATOM 0 HB2 ASN A 17 -23.148 -6.577 -18.408 1.00 24.33 H new ATOM 0 HB3 ASN A 17 -24.096 -7.881 -19.097 1.00 24.33 H new ATOM 0 HD21 ASN A 17 -25.530 -6.416 -15.818 1.00 71.31 H new ATOM 0 HD22 ASN A 17 -24.767 -5.625 -17.201 1.00 71.31 H new ATOM 285 N ALA A 18 -20.619 -8.793 -19.847 1.00 55.30 N ATOM 286 CA ALA A 18 -20.097 -9.213 -21.141 1.00 52.24 C ATOM 287 C ALA A 18 -20.352 -10.697 -21.381 1.00 21.13 C ATOM 288 O ALA A 18 -20.559 -11.461 -20.438 1.00 21.01 O ATOM 289 CB ALA A 18 -18.609 -8.909 -21.234 1.00 12.01 C ATOM 0 H ALA A 18 -19.940 -8.319 -19.252 1.00 55.30 H new ATOM 0 HA ALA A 18 -20.620 -8.652 -21.915 1.00 52.24 H new ATOM 0 HB1 ALA A 18 -18.233 -9.228 -22.206 1.00 12.01 H new ATOM 0 HB2 ALA A 18 -18.449 -7.837 -21.117 1.00 12.01 H new ATOM 0 HB3 ALA A 18 -18.078 -9.444 -20.446 1.00 12.01 H new ATOM 295 N SER A 19 -20.336 -11.099 -22.648 1.00 0.24 N ATOM 296 CA SER A 19 -20.570 -12.492 -23.011 1.00 2.41 C ATOM 297 C SER A 19 -19.275 -13.160 -23.464 1.00 11.34 C ATOM 298 O SER A 19 -18.318 -12.487 -23.844 1.00 42.54 O ATOM 299 CB SER A 19 -21.619 -12.582 -24.121 1.00 1.12 C ATOM 300 OG SER A 19 -21.555 -11.454 -24.976 1.00 13.43 O ATOM 0 H SER A 19 -20.163 -10.480 -23.440 1.00 0.24 H new ATOM 0 HA SER A 19 -20.939 -13.015 -22.129 1.00 2.41 H new ATOM 0 HB2 SER A 19 -21.462 -13.491 -24.701 1.00 1.12 H new ATOM 0 HB3 SER A 19 -22.614 -12.653 -23.681 1.00 1.12 H new ATOM 0 HG SER A 19 -22.234 -11.536 -25.678 1.00 13.43 H new ATOM 306 N GLN A 20 -19.255 -14.488 -23.419 1.00 1.13 N ATOM 307 CA GLN A 20 -18.078 -15.248 -23.823 1.00 40.44 C ATOM 308 C GLN A 20 -17.640 -14.863 -25.233 1.00 1.02 C ATOM 309 O GLN A 20 -16.464 -14.973 -25.581 1.00 11.11 O ATOM 310 CB GLN A 20 -18.366 -16.748 -23.758 1.00 34.40 C ATOM 311 CG GLN A 20 -19.014 -17.187 -22.455 1.00 30.25 C ATOM 312 CD GLN A 20 -18.252 -16.709 -21.234 1.00 53.33 C ATOM 313 OE1 GLN A 20 -17.140 -17.369 -20.934 1.00 62.05 O flip ATOM 314 NE2 GLN A 20 -18.659 -15.756 -20.568 1.00 31.11 N flip ATOM 0 H GLN A 20 -20.040 -15.060 -23.107 1.00 1.13 H new ATOM 0 HA GLN A 20 -17.269 -15.011 -23.132 1.00 40.44 H new ATOM 0 HB2 GLN A 20 -19.018 -17.021 -24.588 1.00 34.40 H new ATOM 0 HB3 GLN A 20 -17.433 -17.295 -23.892 1.00 34.40 H new ATOM 0 HG2 GLN A 20 -20.034 -16.805 -22.414 1.00 30.25 H new ATOM 0 HG3 GLN A 20 -19.080 -18.275 -22.435 1.00 30.25 H new ATOM 0 HE21 GLN A 20 -19.519 -15.278 -20.835 1.00 31.11 H new ATOM 0 HE22 GLN A 20 -18.136 -15.445 -19.749 1.00 31.11 H new ATOM 323 N LYS A 21 -18.593 -14.412 -26.041 1.00 13.32 N ATOM 324 CA LYS A 21 -18.307 -14.009 -27.413 1.00 30.43 C ATOM 325 C LYS A 21 -17.603 -12.657 -27.448 1.00 14.55 C ATOM 326 O LYS A 21 -16.573 -12.500 -28.101 1.00 61.05 O ATOM 327 CB LYS A 21 -19.601 -13.944 -28.227 1.00 61.34 C ATOM 328 CG LYS A 21 -20.268 -15.295 -28.418 1.00 71.42 C ATOM 329 CD LYS A 21 -21.213 -15.617 -27.273 1.00 35.21 C ATOM 330 CE LYS A 21 -22.170 -16.742 -27.639 1.00 3.02 C ATOM 331 NZ LYS A 21 -23.319 -16.252 -28.449 1.00 1.50 N ATOM 0 H LYS A 21 -19.571 -14.316 -25.769 1.00 13.32 H new ATOM 0 HA LYS A 21 -17.645 -14.754 -27.854 1.00 30.43 H new ATOM 0 HB2 LYS A 21 -20.299 -13.270 -27.730 1.00 61.34 H new ATOM 0 HB3 LYS A 21 -19.384 -13.514 -29.205 1.00 61.34 H new ATOM 0 HG2 LYS A 21 -20.819 -15.300 -29.358 1.00 71.42 H new ATOM 0 HG3 LYS A 21 -19.506 -16.071 -28.491 1.00 71.42 H new ATOM 0 HD2 LYS A 21 -20.636 -15.901 -26.393 1.00 35.21 H new ATOM 0 HD3 LYS A 21 -21.782 -14.726 -27.008 1.00 35.21 H new ATOM 0 HE2 LYS A 21 -21.633 -17.508 -28.198 1.00 3.02 H new ATOM 0 HE3 LYS A 21 -22.542 -17.213 -26.729 1.00 3.02 H new ATOM 0 HZ1 LYS A 21 -23.947 -17.049 -28.678 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -23.847 -15.539 -27.907 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -22.966 -15.826 -29.330 1.00 1.50 H new ATOM 345 N GLU A 22 -18.166 -11.683 -26.738 1.00 74.24 N ATOM 346 CA GLU A 22 -17.591 -10.344 -26.689 1.00 32.22 C ATOM 347 C GLU A 22 -16.192 -10.375 -26.081 1.00 63.42 C ATOM 348 O GLU A 22 -15.308 -9.624 -26.494 1.00 2.34 O ATOM 349 CB GLU A 22 -18.490 -9.408 -25.878 1.00 73.50 C ATOM 350 CG GLU A 22 -17.954 -7.991 -25.770 1.00 63.02 C ATOM 351 CD GLU A 22 -18.023 -7.239 -27.085 1.00 72.32 C ATOM 352 OE1 GLU A 22 -18.988 -7.463 -27.846 1.00 34.25 O ATOM 353 OE2 GLU A 22 -17.113 -6.428 -27.354 1.00 52.23 O ATOM 0 H GLU A 22 -19.019 -11.797 -26.190 1.00 74.24 H new ATOM 0 HA GLU A 22 -17.517 -9.971 -27.710 1.00 32.22 H new ATOM 0 HB2 GLU A 22 -19.478 -9.379 -26.337 1.00 73.50 H new ATOM 0 HB3 GLU A 22 -18.616 -9.817 -24.876 1.00 73.50 H new ATOM 0 HG2 GLU A 22 -18.523 -7.448 -25.015 1.00 63.02 H new ATOM 0 HG3 GLU A 22 -16.920 -8.023 -25.428 1.00 63.02 H new ATOM 360 N ILE A 23 -15.999 -11.249 -25.099 1.00 60.42 N ATOM 361 CA ILE A 23 -14.708 -11.379 -24.435 1.00 61.22 C ATOM 362 C ILE A 23 -13.645 -11.900 -25.397 1.00 32.34 C ATOM 363 O ILE A 23 -12.471 -11.545 -25.294 1.00 2.02 O ATOM 364 CB ILE A 23 -14.792 -12.322 -23.220 1.00 62.24 C ATOM 365 CG1 ILE A 23 -15.754 -11.756 -22.174 1.00 24.54 C ATOM 366 CG2 ILE A 23 -13.411 -12.535 -22.619 1.00 2.13 C ATOM 367 CD1 ILE A 23 -16.143 -12.757 -21.107 1.00 43.55 C ATOM 0 H ILE A 23 -16.720 -11.878 -24.746 1.00 60.42 H new ATOM 0 HA ILE A 23 -14.428 -10.383 -24.092 1.00 61.22 H new ATOM 0 HB ILE A 23 -15.174 -13.287 -23.552 1.00 62.24 H new ATOM 0 HG12 ILE A 23 -15.293 -10.891 -21.698 1.00 24.54 H new ATOM 0 HG13 ILE A 23 -16.655 -11.402 -22.675 1.00 24.54 H new ATOM 0 HG21 ILE A 23 -13.487 -13.203 -21.761 1.00 2.13 H new ATOM 0 HG22 ILE A 23 -12.753 -12.977 -23.367 1.00 2.13 H new ATOM 0 HG23 ILE A 23 -13.002 -11.577 -22.297 1.00 2.13 H new ATOM 0 HD11 ILE A 23 -16.826 -12.287 -20.399 1.00 43.55 H new ATOM 0 HD12 ILE A 23 -16.633 -13.612 -21.572 1.00 43.55 H new ATOM 0 HD13 ILE A 23 -15.250 -13.093 -20.580 1.00 43.55 H new ATOM 379 N LYS A 24 -14.065 -12.744 -26.333 1.00 72.02 N ATOM 380 CA LYS A 24 -13.151 -13.313 -27.317 1.00 13.13 C ATOM 381 C LYS A 24 -12.549 -12.221 -28.195 1.00 73.14 C ATOM 382 O LYS A 24 -11.363 -12.257 -28.523 1.00 0.10 O ATOM 383 CB LYS A 24 -13.880 -14.339 -28.187 1.00 55.22 C ATOM 384 CG LYS A 24 -14.203 -15.633 -27.461 1.00 61.30 C ATOM 385 CD LYS A 24 -13.142 -16.692 -27.710 1.00 44.33 C ATOM 386 CE LYS A 24 -13.479 -17.545 -28.923 1.00 75.12 C ATOM 387 NZ LYS A 24 -13.060 -16.893 -30.194 1.00 43.14 N ATOM 0 H LYS A 24 -15.033 -13.050 -26.431 1.00 72.02 H new ATOM 0 HA LYS A 24 -12.343 -13.810 -26.781 1.00 13.13 H new ATOM 0 HB2 LYS A 24 -14.806 -13.898 -28.555 1.00 55.22 H new ATOM 0 HB3 LYS A 24 -13.266 -14.565 -29.059 1.00 55.22 H new ATOM 0 HG2 LYS A 24 -14.282 -15.441 -26.391 1.00 61.30 H new ATOM 0 HG3 LYS A 24 -15.173 -16.004 -27.791 1.00 61.30 H new ATOM 0 HD2 LYS A 24 -12.175 -16.212 -27.859 1.00 44.33 H new ATOM 0 HD3 LYS A 24 -13.049 -17.329 -26.830 1.00 44.33 H new ATOM 0 HE2 LYS A 24 -12.988 -18.514 -28.833 1.00 75.12 H new ATOM 0 HE3 LYS A 24 -14.552 -17.733 -28.948 1.00 75.12 H new ATOM 0 HZ1 LYS A 24 -13.020 -17.604 -30.952 1.00 43.14 H new ATOM 0 HZ2 LYS A 24 -13.747 -16.154 -30.448 1.00 43.14 H new ATOM 0 HZ3 LYS A 24 -12.120 -16.465 -30.071 1.00 43.14 H new ATOM 401 N LYS A 25 -13.374 -11.250 -28.573 1.00 61.22 N ATOM 402 CA LYS A 25 -12.923 -10.146 -29.412 1.00 11.24 C ATOM 403 C LYS A 25 -11.969 -9.235 -28.645 1.00 63.44 C ATOM 404 O LYS A 25 -10.903 -8.877 -29.145 1.00 50.53 O ATOM 405 CB LYS A 25 -14.122 -9.338 -29.915 1.00 24.13 C ATOM 406 CG LYS A 25 -15.045 -10.125 -30.829 1.00 44.21 C ATOM 407 CD LYS A 25 -16.403 -9.456 -30.959 1.00 70.53 C ATOM 408 CE LYS A 25 -17.434 -10.402 -31.556 1.00 53.32 C ATOM 409 NZ LYS A 25 -18.739 -9.723 -31.790 1.00 32.14 N ATOM 0 H LYS A 25 -14.359 -11.205 -28.311 1.00 61.22 H new ATOM 0 HA LYS A 25 -12.391 -10.565 -30.266 1.00 11.24 H new ATOM 0 HB2 LYS A 25 -14.692 -8.979 -29.059 1.00 24.13 H new ATOM 0 HB3 LYS A 25 -13.759 -8.459 -30.448 1.00 24.13 H new ATOM 0 HG2 LYS A 25 -14.589 -10.219 -31.814 1.00 44.21 H new ATOM 0 HG3 LYS A 25 -15.172 -11.135 -30.438 1.00 44.21 H new ATOM 0 HD2 LYS A 25 -16.740 -9.120 -29.978 1.00 70.53 H new ATOM 0 HD3 LYS A 25 -16.315 -8.569 -31.586 1.00 70.53 H new ATOM 0 HE2 LYS A 25 -17.058 -10.801 -32.498 1.00 53.32 H new ATOM 0 HE3 LYS A 25 -17.580 -11.249 -30.886 1.00 53.32 H new ATOM 0 HZ1 LYS A 25 -19.415 -10.401 -32.197 1.00 32.14 H new ATOM 0 HZ2 LYS A 25 -19.110 -9.364 -30.887 1.00 32.14 H new ATOM 0 HZ3 LYS A 25 -18.604 -8.930 -32.449 1.00 32.14 H new ATOM 423 N ALA A 26 -12.358 -8.867 -27.429 1.00 40.14 N ATOM 424 CA ALA A 26 -11.535 -8.002 -26.593 1.00 52.44 C ATOM 425 C ALA A 26 -10.170 -8.628 -26.332 1.00 23.13 C ATOM 426 O ALA A 26 -9.174 -7.923 -26.166 1.00 61.23 O ATOM 427 CB ALA A 26 -12.244 -7.708 -25.279 1.00 61.14 C ATOM 0 H ALA A 26 -13.238 -9.154 -27.001 1.00 40.14 H new ATOM 0 HA ALA A 26 -11.379 -7.064 -27.126 1.00 52.44 H new ATOM 0 HB1 ALA A 26 -11.618 -7.061 -24.665 1.00 61.14 H new ATOM 0 HB2 ALA A 26 -13.192 -7.210 -25.481 1.00 61.14 H new ATOM 0 HB3 ALA A 26 -12.430 -8.642 -24.749 1.00 61.14 H new ATOM 433 N TYR A 27 -10.130 -9.955 -26.295 1.00 34.33 N ATOM 434 CA TYR A 27 -8.887 -10.677 -26.050 1.00 12.43 C ATOM 435 C TYR A 27 -7.967 -10.604 -27.265 1.00 31.55 C ATOM 436 O TYR A 27 -6.745 -10.547 -27.129 1.00 44.22 O ATOM 437 CB TYR A 27 -9.180 -12.138 -25.704 1.00 52.50 C ATOM 438 CG TYR A 27 -7.943 -13.004 -25.636 1.00 3.43 C ATOM 439 CD1 TYR A 27 -6.878 -12.664 -24.810 1.00 62.34 C ATOM 440 CD2 TYR A 27 -7.839 -14.162 -26.396 1.00 30.10 C ATOM 441 CE1 TYR A 27 -5.745 -13.452 -24.746 1.00 31.34 C ATOM 442 CE2 TYR A 27 -6.711 -14.957 -26.336 1.00 44.14 C ATOM 443 CZ TYR A 27 -5.666 -14.598 -25.510 1.00 53.41 C ATOM 444 OH TYR A 27 -4.540 -15.386 -25.447 1.00 52.03 O ATOM 0 H TYR A 27 -10.945 -10.553 -26.432 1.00 34.33 H new ATOM 0 HA TYR A 27 -8.383 -10.206 -25.206 1.00 12.43 H new ATOM 0 HB2 TYR A 27 -9.695 -12.179 -24.744 1.00 52.50 H new ATOM 0 HB3 TYR A 27 -9.861 -12.550 -26.449 1.00 52.50 H new ATOM 0 HD1 TYR A 27 -6.937 -11.769 -24.208 1.00 62.34 H new ATOM 0 HD2 TYR A 27 -8.654 -14.446 -27.045 1.00 30.10 H new ATOM 0 HE1 TYR A 27 -4.925 -13.172 -24.101 1.00 31.34 H new ATOM 0 HE2 TYR A 27 -6.647 -15.855 -26.933 1.00 44.14 H new ATOM 0 HH TYR A 27 -4.645 -16.155 -26.045 1.00 52.03 H new ATOM 454 N TYR A 28 -8.564 -10.608 -28.451 1.00 41.42 N ATOM 455 CA TYR A 28 -7.800 -10.544 -29.691 1.00 64.33 C ATOM 456 C TYR A 28 -7.264 -9.136 -29.930 1.00 10.21 C ATOM 457 O TYR A 28 -6.087 -8.952 -30.239 1.00 71.41 O ATOM 458 CB TYR A 28 -8.668 -10.979 -30.873 1.00 12.30 C ATOM 459 CG TYR A 28 -7.976 -10.855 -32.211 1.00 44.03 C ATOM 460 CD1 TYR A 28 -8.502 -10.054 -33.217 1.00 71.10 C ATOM 461 CD2 TYR A 28 -6.794 -11.539 -32.470 1.00 3.44 C ATOM 462 CE1 TYR A 28 -7.873 -9.939 -34.441 1.00 40.14 C ATOM 463 CE2 TYR A 28 -6.157 -11.428 -33.691 1.00 22.24 C ATOM 464 CZ TYR A 28 -6.701 -10.628 -34.673 1.00 44.44 C ATOM 465 OH TYR A 28 -6.070 -10.514 -35.891 1.00 71.32 O ATOM 0 H TYR A 28 -9.575 -10.655 -28.580 1.00 41.42 H new ATOM 0 HA TYR A 28 -6.953 -11.224 -29.601 1.00 64.33 H new ATOM 0 HB2 TYR A 28 -8.974 -12.015 -30.726 1.00 12.30 H new ATOM 0 HB3 TYR A 28 -9.577 -10.377 -30.886 1.00 12.30 H new ATOM 0 HD1 TYR A 28 -9.419 -9.512 -33.039 1.00 71.10 H new ATOM 0 HD2 TYR A 28 -6.366 -12.168 -31.704 1.00 3.44 H new ATOM 0 HE1 TYR A 28 -8.297 -9.313 -35.212 1.00 40.14 H new ATOM 0 HE2 TYR A 28 -5.238 -11.965 -33.875 1.00 22.24 H new ATOM 0 HH TYR A 28 -5.257 -11.062 -35.891 1.00 71.32 H new ATOM 475 N GLN A 29 -8.138 -8.145 -29.783 1.00 44.01 N ATOM 476 CA GLN A 29 -7.753 -6.753 -29.982 1.00 53.45 C ATOM 477 C GLN A 29 -6.638 -6.353 -29.022 1.00 50.21 C ATOM 478 O GLN A 29 -5.762 -5.558 -29.367 1.00 72.43 O ATOM 479 CB GLN A 29 -8.962 -5.835 -29.789 1.00 70.23 C ATOM 480 CG GLN A 29 -9.347 -5.635 -28.333 1.00 34.35 C ATOM 481 CD GLN A 29 -10.494 -4.658 -28.161 1.00 24.11 C ATOM 482 OE1 GLN A 29 -10.310 -3.550 -27.656 1.00 44.04 O ATOM 483 NE2 GLN A 29 -11.686 -5.064 -28.581 1.00 31.10 N ATOM 0 H GLN A 29 -9.116 -8.280 -29.527 1.00 44.01 H new ATOM 0 HA GLN A 29 -7.384 -6.647 -31.002 1.00 53.45 H new ATOM 0 HB2 GLN A 29 -8.746 -4.864 -30.236 1.00 70.23 H new ATOM 0 HB3 GLN A 29 -9.813 -6.251 -30.327 1.00 70.23 H new ATOM 0 HG2 GLN A 29 -9.625 -6.596 -27.899 1.00 34.35 H new ATOM 0 HG3 GLN A 29 -8.481 -5.274 -27.779 1.00 34.35 H new ATOM 0 HE21 GLN A 29 -11.793 -5.991 -28.994 1.00 31.10 H new ATOM 0 HE22 GLN A 29 -12.495 -4.449 -28.491 1.00 31.10 H new ATOM 492 N LEU A 30 -6.676 -6.907 -27.816 1.00 20.53 N ATOM 493 CA LEU A 30 -5.668 -6.609 -26.804 1.00 52.41 C ATOM 494 C LEU A 30 -4.339 -7.275 -27.146 1.00 34.33 C ATOM 495 O LEU A 30 -3.275 -6.677 -26.991 1.00 15.34 O ATOM 496 CB LEU A 30 -6.146 -7.073 -25.427 1.00 62.22 C ATOM 497 CG LEU A 30 -6.472 -5.968 -24.422 1.00 32.20 C ATOM 498 CD1 LEU A 30 -7.381 -4.925 -25.052 1.00 53.44 C ATOM 499 CD2 LEU A 30 -7.116 -6.555 -23.174 1.00 71.34 C ATOM 0 H LEU A 30 -7.394 -7.565 -27.514 1.00 20.53 H new ATOM 0 HA LEU A 30 -5.517 -5.530 -26.784 1.00 52.41 H new ATOM 0 HB2 LEU A 30 -7.036 -7.688 -25.562 1.00 62.22 H new ATOM 0 HB3 LEU A 30 -5.378 -7.714 -24.995 1.00 62.22 H new ATOM 0 HG LEU A 30 -5.541 -5.481 -24.132 1.00 32.20 H new ATOM 0 HD11 LEU A 30 -7.602 -4.147 -24.322 1.00 53.44 H new ATOM 0 HD12 LEU A 30 -6.884 -4.482 -25.915 1.00 53.44 H new ATOM 0 HD13 LEU A 30 -8.310 -5.397 -25.372 1.00 53.44 H new ATOM 0 HD21 LEU A 30 -7.341 -5.754 -22.470 1.00 71.34 H new ATOM 0 HD22 LEU A 30 -8.038 -7.068 -23.447 1.00 71.34 H new ATOM 0 HD23 LEU A 30 -6.430 -7.264 -22.710 1.00 71.34 H new ATOM 511 N ALA A 31 -4.409 -8.517 -27.613 1.00 74.34 N ATOM 512 CA ALA A 31 -3.213 -9.264 -27.981 1.00 44.41 C ATOM 513 C ALA A 31 -2.404 -8.518 -29.037 1.00 62.34 C ATOM 514 O ALA A 31 -1.177 -8.445 -28.958 1.00 14.30 O ATOM 515 CB ALA A 31 -3.589 -10.650 -28.482 1.00 65.15 C ATOM 0 H ALA A 31 -5.282 -9.027 -27.745 1.00 74.34 H new ATOM 0 HA ALA A 31 -2.592 -9.369 -27.092 1.00 44.41 H new ATOM 0 HB1 ALA A 31 -2.686 -11.196 -28.753 1.00 65.15 H new ATOM 0 HB2 ALA A 31 -4.118 -11.190 -27.696 1.00 65.15 H new ATOM 0 HB3 ALA A 31 -4.234 -10.558 -29.356 1.00 65.15 H new ATOM 521 N LYS A 32 -3.098 -7.967 -30.027 1.00 61.13 N ATOM 522 CA LYS A 32 -2.445 -7.226 -31.100 1.00 71.42 C ATOM 523 C LYS A 32 -1.620 -6.072 -30.541 1.00 22.13 C ATOM 524 O LYS A 32 -0.679 -5.601 -31.180 1.00 2.13 O ATOM 525 CB LYS A 32 -3.487 -6.692 -32.086 1.00 4.11 C ATOM 526 CG LYS A 32 -4.108 -7.769 -32.958 1.00 33.34 C ATOM 527 CD LYS A 32 -5.564 -7.465 -33.267 1.00 53.44 C ATOM 528 CE LYS A 32 -5.711 -6.150 -34.019 1.00 30.24 C ATOM 529 NZ LYS A 32 -6.488 -5.148 -33.237 1.00 64.40 N ATOM 0 H LYS A 32 -4.113 -8.020 -30.109 1.00 61.13 H new ATOM 0 HA LYS A 32 -1.775 -7.908 -31.623 1.00 71.42 H new ATOM 0 HB2 LYS A 32 -4.277 -6.187 -31.529 1.00 4.11 H new ATOM 0 HB3 LYS A 32 -3.019 -5.943 -32.726 1.00 4.11 H new ATOM 0 HG2 LYS A 32 -3.547 -7.853 -33.889 1.00 33.34 H new ATOM 0 HG3 LYS A 32 -4.036 -8.733 -32.454 1.00 33.34 H new ATOM 0 HD2 LYS A 32 -5.988 -8.275 -33.861 1.00 53.44 H new ATOM 0 HD3 LYS A 32 -6.133 -7.420 -32.338 1.00 53.44 H new ATOM 0 HE2 LYS A 32 -4.723 -5.748 -34.244 1.00 30.24 H new ATOM 0 HE3 LYS A 32 -6.207 -6.330 -34.973 1.00 30.24 H new ATOM 0 HZ1 LYS A 32 -6.566 -4.266 -33.783 1.00 64.40 H new ATOM 0 HZ2 LYS A 32 -7.439 -5.521 -33.043 1.00 64.40 H new ATOM 0 HZ3 LYS A 32 -6.002 -4.956 -32.338 1.00 64.40 H new ATOM 543 N LYS A 33 -1.977 -5.621 -29.343 1.00 32.30 N ATOM 544 CA LYS A 33 -1.269 -4.524 -28.695 1.00 64.02 C ATOM 545 C LYS A 33 0.071 -4.995 -28.138 1.00 41.13 C ATOM 546 O LYS A 33 1.060 -4.263 -28.172 1.00 43.34 O ATOM 547 CB LYS A 33 -2.121 -3.933 -27.570 1.00 51.21 C ATOM 548 CG LYS A 33 -3.525 -3.552 -28.007 1.00 11.22 C ATOM 549 CD LYS A 33 -4.333 -2.983 -26.852 1.00 71.14 C ATOM 550 CE LYS A 33 -3.723 -1.692 -26.328 1.00 32.33 C ATOM 551 NZ LYS A 33 -3.483 -0.708 -27.420 1.00 30.45 N ATOM 0 H LYS A 33 -2.754 -5.999 -28.801 1.00 32.30 H new ATOM 0 HA LYS A 33 -1.082 -3.754 -29.443 1.00 64.02 H new ATOM 0 HB2 LYS A 33 -2.186 -4.656 -26.757 1.00 51.21 H new ATOM 0 HB3 LYS A 33 -1.621 -3.050 -27.172 1.00 51.21 H new ATOM 0 HG2 LYS A 33 -3.470 -2.818 -28.811 1.00 11.22 H new ATOM 0 HG3 LYS A 33 -4.032 -4.429 -28.410 1.00 11.22 H new ATOM 0 HD2 LYS A 33 -5.356 -2.797 -27.179 1.00 71.14 H new ATOM 0 HD3 LYS A 33 -4.384 -3.716 -26.047 1.00 71.14 H new ATOM 0 HE2 LYS A 33 -4.387 -1.253 -25.583 1.00 32.33 H new ATOM 0 HE3 LYS A 33 -2.782 -1.913 -25.825 1.00 32.33 H new ATOM 0 HZ1 LYS A 33 -3.278 0.225 -27.008 1.00 30.45 H new ATOM 0 HZ2 LYS A 33 -2.674 -1.018 -27.995 1.00 30.45 H new ATOM 0 HZ3 LYS A 33 -4.329 -0.643 -28.021 1.00 30.45 H new ATOM 565 N TYR A 34 0.096 -6.221 -27.628 1.00 1.13 N ATOM 566 CA TYR A 34 1.314 -6.789 -27.063 1.00 5.11 C ATOM 567 C TYR A 34 1.842 -7.924 -27.935 1.00 51.24 C ATOM 568 O TYR A 34 2.543 -8.816 -27.457 1.00 43.02 O ATOM 569 CB TYR A 34 1.054 -7.300 -25.645 1.00 3.53 C ATOM 570 CG TYR A 34 0.512 -6.242 -24.710 1.00 53.13 C ATOM 571 CD1 TYR A 34 1.363 -5.496 -23.904 1.00 62.41 C ATOM 572 CD2 TYR A 34 -0.852 -5.989 -24.633 1.00 12.42 C ATOM 573 CE1 TYR A 34 0.872 -4.530 -23.048 1.00 40.53 C ATOM 574 CE2 TYR A 34 -1.352 -5.023 -23.781 1.00 51.31 C ATOM 575 CZ TYR A 34 -0.486 -4.296 -22.991 1.00 32.12 C ATOM 576 OH TYR A 34 -0.980 -3.334 -22.140 1.00 74.00 O ATOM 0 H TYR A 34 -0.713 -6.841 -27.594 1.00 1.13 H new ATOM 0 HA TYR A 34 2.068 -6.002 -27.026 1.00 5.11 H new ATOM 0 HB2 TYR A 34 0.348 -8.129 -25.690 1.00 3.53 H new ATOM 0 HB3 TYR A 34 1.983 -7.695 -25.234 1.00 3.53 H new ATOM 0 HD1 TYR A 34 2.427 -5.675 -23.948 1.00 62.41 H new ATOM 0 HD2 TYR A 34 -1.533 -6.557 -25.250 1.00 12.42 H new ATOM 0 HE1 TYR A 34 1.548 -3.961 -22.427 1.00 40.53 H new ATOM 0 HE2 TYR A 34 -2.415 -4.838 -23.734 1.00 51.31 H new ATOM 0 HH TYR A 34 -1.956 -3.294 -22.222 1.00 74.00 H new ATOM 586 N HIS A 35 1.499 -7.883 -29.219 1.00 45.32 N ATOM 587 CA HIS A 35 1.939 -8.906 -30.161 1.00 32.43 C ATOM 588 C HIS A 35 3.460 -9.022 -30.167 1.00 21.24 C ATOM 589 O HIS A 35 4.178 -8.114 -29.746 1.00 74.51 O ATOM 590 CB HIS A 35 1.435 -8.585 -31.568 1.00 33.10 C ATOM 591 CG HIS A 35 0.326 -9.481 -32.026 1.00 73.42 C ATOM 592 ND1 HIS A 35 -0.585 -10.053 -31.163 1.00 71.21 N ATOM 593 CD2 HIS A 35 -0.018 -9.902 -33.266 1.00 63.10 C ATOM 594 CE1 HIS A 35 -1.440 -10.788 -31.852 1.00 64.30 C ATOM 595 NE2 HIS A 35 -1.117 -10.713 -33.131 1.00 35.12 N ATOM 0 H HIS A 35 0.918 -7.153 -29.631 1.00 45.32 H new ATOM 0 HA HIS A 35 1.521 -9.861 -29.843 1.00 32.43 H new ATOM 0 HB2 HIS A 35 1.090 -7.551 -31.594 1.00 33.10 H new ATOM 0 HB3 HIS A 35 2.266 -8.662 -32.269 1.00 33.10 H new ATOM 0 HD1 HIS A 35 -0.597 -9.928 -30.151 1.00 71.21 H new ATOM 0 HD2 HIS A 35 0.480 -9.647 -34.190 1.00 63.10 H new ATOM 0 HE1 HIS A 35 -2.263 -11.354 -31.440 1.00 64.30 H new ATOM 603 N PRO A 36 3.965 -10.165 -30.654 1.00 23.44 N ATOM 604 CA PRO A 36 5.406 -10.427 -30.726 1.00 11.15 C ATOM 605 C PRO A 36 6.101 -9.560 -31.770 1.00 71.31 C ATOM 606 O PRO A 36 7.327 -9.445 -31.778 1.00 55.54 O ATOM 607 CB PRO A 36 5.479 -11.904 -31.122 1.00 11.35 C ATOM 608 CG PRO A 36 4.196 -12.170 -31.830 1.00 52.23 C ATOM 609 CD PRO A 36 3.169 -11.290 -31.172 1.00 30.41 C ATOM 0 HA PRO A 36 5.909 -10.199 -29.787 1.00 11.15 H new ATOM 0 HB2 PRO A 36 6.335 -12.099 -31.768 1.00 11.35 H new ATOM 0 HB3 PRO A 36 5.588 -12.544 -30.246 1.00 11.35 H new ATOM 0 HG2 PRO A 36 4.282 -11.942 -32.892 1.00 52.23 H new ATOM 0 HG3 PRO A 36 3.917 -13.221 -31.751 1.00 52.23 H new ATOM 0 HD2 PRO A 36 2.413 -10.954 -31.882 1.00 30.41 H new ATOM 0 HD3 PRO A 36 2.645 -11.813 -30.372 1.00 30.41 H new ATOM 617 N ASP A 37 5.311 -8.953 -32.649 1.00 30.41 N ATOM 618 CA ASP A 37 5.851 -8.095 -33.697 1.00 72.54 C ATOM 619 C ASP A 37 6.445 -6.821 -33.105 1.00 35.31 C ATOM 620 O ASP A 37 7.308 -6.185 -33.710 1.00 61.33 O ATOM 621 CB ASP A 37 4.759 -7.742 -34.709 1.00 4.01 C ATOM 622 CG ASP A 37 5.312 -7.517 -36.102 1.00 45.14 C ATOM 623 OD1 ASP A 37 4.509 -7.275 -37.028 1.00 24.10 O ATOM 624 OD2 ASP A 37 6.548 -7.582 -36.267 1.00 44.42 O ATOM 0 H ASP A 37 4.295 -9.039 -32.657 1.00 30.41 H new ATOM 0 HA ASP A 37 6.645 -8.641 -34.206 1.00 72.54 H new ATOM 0 HB2 ASP A 37 4.022 -8.545 -34.739 1.00 4.01 H new ATOM 0 HB3 ASP A 37 4.238 -6.843 -34.378 1.00 4.01 H new ATOM 629 N THR A 38 5.975 -6.452 -31.917 1.00 22.30 N ATOM 630 CA THR A 38 6.458 -5.253 -31.243 1.00 75.25 C ATOM 631 C THR A 38 7.282 -5.609 -30.011 1.00 54.43 C ATOM 632 O THR A 38 7.700 -4.730 -29.258 1.00 72.24 O ATOM 633 CB THR A 38 5.292 -4.339 -30.821 1.00 41.34 C ATOM 634 OG1 THR A 38 4.625 -4.890 -29.681 1.00 34.50 O ATOM 635 CG2 THR A 38 4.300 -4.166 -31.961 1.00 51.54 C ATOM 0 H THR A 38 5.260 -6.966 -31.402 1.00 22.30 H new ATOM 0 HA THR A 38 7.088 -4.721 -31.956 1.00 75.25 H new ATOM 0 HB THR A 38 5.701 -3.362 -30.565 1.00 41.34 H new ATOM 0 HG1 THR A 38 4.550 -5.862 -29.784 1.00 34.50 H new ATOM 0 HG21 THR A 38 3.486 -3.517 -31.639 1.00 51.54 H new ATOM 0 HG22 THR A 38 4.804 -3.718 -32.817 1.00 51.54 H new ATOM 0 HG23 THR A 38 3.898 -5.139 -32.244 1.00 51.54 H new ATOM 643 N ASN A 39 7.512 -6.902 -29.812 1.00 70.31 N ATOM 644 CA ASN A 39 8.287 -7.374 -28.670 1.00 41.41 C ATOM 645 C ASN A 39 9.782 -7.332 -28.973 1.00 11.23 C ATOM 646 O ASN A 39 10.613 -7.462 -28.074 1.00 12.35 O ATOM 647 CB ASN A 39 7.870 -8.798 -28.297 1.00 45.14 C ATOM 648 CG ASN A 39 6.747 -8.824 -27.279 1.00 52.14 C ATOM 649 OD1 ASN A 39 6.787 -9.585 -26.313 1.00 24.13 O ATOM 650 ND2 ASN A 39 5.736 -7.990 -27.493 1.00 12.30 N ATOM 0 H ASN A 39 7.173 -7.642 -30.426 1.00 70.31 H new ATOM 0 HA ASN A 39 8.086 -6.712 -27.828 1.00 41.41 H new ATOM 0 HB2 ASN A 39 7.554 -9.328 -29.196 1.00 45.14 H new ATOM 0 HB3 ASN A 39 8.731 -9.333 -27.897 1.00 45.14 H new ATOM 0 HD21 ASN A 39 4.951 -7.963 -26.843 1.00 12.30 H new ATOM 0 HD22 ASN A 39 5.745 -7.376 -28.308 1.00 12.30 H new ATOM 657 N LYS A 40 10.117 -7.149 -30.245 1.00 64.03 N ATOM 658 CA LYS A 40 11.511 -7.088 -30.668 1.00 44.34 C ATOM 659 C LYS A 40 12.293 -6.087 -29.823 1.00 51.13 C ATOM 660 O LYS A 40 13.439 -6.337 -29.450 1.00 42.21 O ATOM 661 CB LYS A 40 11.601 -6.702 -32.147 1.00 34.42 C ATOM 662 CG LYS A 40 11.569 -7.894 -33.089 1.00 13.53 C ATOM 663 CD LYS A 40 10.240 -8.628 -33.014 1.00 44.34 C ATOM 664 CE LYS A 40 10.304 -9.798 -32.045 1.00 60.22 C ATOM 665 NZ LYS A 40 9.541 -10.975 -32.546 1.00 22.10 N ATOM 0 H LYS A 40 9.442 -7.040 -31.002 1.00 64.03 H new ATOM 0 HA LYS A 40 11.950 -8.076 -30.529 1.00 44.34 H new ATOM 0 HB2 LYS A 40 10.775 -6.034 -32.391 1.00 34.42 H new ATOM 0 HB3 LYS A 40 12.522 -6.143 -32.313 1.00 34.42 H new ATOM 0 HG2 LYS A 40 11.742 -7.556 -34.111 1.00 13.53 H new ATOM 0 HG3 LYS A 40 12.379 -8.579 -32.838 1.00 13.53 H new ATOM 0 HD2 LYS A 40 9.458 -7.936 -32.700 1.00 44.34 H new ATOM 0 HD3 LYS A 40 9.966 -8.990 -34.005 1.00 44.34 H new ATOM 0 HE2 LYS A 40 11.344 -10.081 -31.885 1.00 60.22 H new ATOM 0 HE3 LYS A 40 9.905 -9.491 -31.078 1.00 60.22 H new ATOM 0 HZ1 LYS A 40 9.809 -11.820 -32.002 1.00 22.10 H new ATOM 0 HZ2 LYS A 40 8.522 -10.801 -32.435 1.00 22.10 H new ATOM 0 HZ3 LYS A 40 9.759 -11.128 -33.551 1.00 22.10 H new ATOM 679 N ASP A 41 11.665 -4.955 -29.524 1.00 4.00 N ATOM 680 CA ASP A 41 12.301 -3.918 -28.720 1.00 44.54 C ATOM 681 C ASP A 41 11.526 -3.678 -27.429 1.00 34.42 C ATOM 682 O ASP A 41 11.673 -2.638 -26.788 1.00 41.40 O ATOM 683 CB ASP A 41 12.403 -2.616 -29.517 1.00 42.02 C ATOM 684 CG ASP A 41 13.495 -1.702 -28.997 1.00 23.34 C ATOM 685 OD1 ASP A 41 14.655 -2.156 -28.904 1.00 62.40 O ATOM 686 OD2 ASP A 41 13.190 -0.533 -28.683 1.00 3.05 O ATOM 0 H ASP A 41 10.717 -4.732 -29.826 1.00 4.00 H new ATOM 0 HA ASP A 41 13.304 -4.258 -28.462 1.00 44.54 H new ATOM 0 HB2 ASP A 41 12.596 -2.849 -30.564 1.00 42.02 H new ATOM 0 HB3 ASP A 41 11.447 -2.094 -29.478 1.00 42.02 H new ATOM 691 N ASP A 42 10.699 -4.648 -27.053 1.00 72.04 N ATOM 692 CA ASP A 42 9.899 -4.543 -25.838 1.00 62.33 C ATOM 693 C ASP A 42 9.845 -5.881 -25.107 1.00 12.23 C ATOM 694 O ASP A 42 8.886 -6.644 -25.227 1.00 51.43 O ATOM 695 CB ASP A 42 8.483 -4.073 -26.173 1.00 71.02 C ATOM 696 CG ASP A 42 7.878 -3.227 -25.070 1.00 72.02 C ATOM 697 OD1 ASP A 42 7.763 -3.730 -23.933 1.00 11.50 O ATOM 698 OD2 ASP A 42 7.518 -2.063 -25.344 1.00 44.34 O ATOM 0 H ASP A 42 10.565 -5.516 -27.572 1.00 72.04 H new ATOM 0 HA ASP A 42 10.371 -3.810 -25.183 1.00 62.33 H new ATOM 0 HB2 ASP A 42 8.504 -3.498 -27.098 1.00 71.02 H new ATOM 0 HB3 ASP A 42 7.848 -4.941 -26.351 1.00 71.02 H new ATOM 703 N PRO A 43 10.898 -6.174 -24.330 1.00 63.21 N ATOM 704 CA PRO A 43 10.995 -7.420 -23.564 1.00 75.42 C ATOM 705 C PRO A 43 10.004 -7.467 -22.406 1.00 75.12 C ATOM 706 O PRO A 43 9.848 -8.497 -21.749 1.00 43.31 O ATOM 707 CB PRO A 43 12.432 -7.403 -23.038 1.00 33.13 C ATOM 708 CG PRO A 43 12.801 -5.961 -22.993 1.00 45.30 C ATOM 709 CD PRO A 43 12.076 -5.312 -24.139 1.00 44.44 C ATOM 0 HA PRO A 43 10.761 -8.292 -24.174 1.00 75.42 H new ATOM 0 HB2 PRO A 43 12.498 -7.860 -22.050 1.00 33.13 H new ATOM 0 HB3 PRO A 43 13.100 -7.962 -23.693 1.00 33.13 H new ATOM 0 HG2 PRO A 43 12.509 -5.513 -22.043 1.00 45.30 H new ATOM 0 HG3 PRO A 43 13.879 -5.831 -23.089 1.00 45.30 H new ATOM 0 HD2 PRO A 43 11.790 -4.287 -23.904 1.00 44.44 H new ATOM 0 HD3 PRO A 43 12.695 -5.273 -25.035 1.00 44.44 H new ATOM 717 N LYS A 44 9.334 -6.346 -22.161 1.00 1.11 N ATOM 718 CA LYS A 44 8.356 -6.258 -21.083 1.00 70.41 C ATOM 719 C LYS A 44 6.949 -6.540 -21.601 1.00 22.42 C ATOM 720 O LYS A 44 6.063 -6.925 -20.839 1.00 13.54 O ATOM 721 CB LYS A 44 8.404 -4.873 -20.434 1.00 70.23 C ATOM 722 CG LYS A 44 9.138 -4.849 -19.105 1.00 65.31 C ATOM 723 CD LYS A 44 8.266 -5.374 -17.977 1.00 5.44 C ATOM 724 CE LYS A 44 8.514 -6.853 -17.722 1.00 51.32 C ATOM 725 NZ LYS A 44 8.309 -7.211 -16.291 1.00 73.35 N ATOM 0 H LYS A 44 9.451 -5.485 -22.695 1.00 1.11 H new ATOM 0 HA LYS A 44 8.607 -7.011 -20.336 1.00 70.41 H new ATOM 0 HB2 LYS A 44 8.888 -4.177 -21.119 1.00 70.23 H new ATOM 0 HB3 LYS A 44 7.385 -4.516 -20.283 1.00 70.23 H new ATOM 0 HG2 LYS A 44 10.043 -5.452 -19.177 1.00 65.31 H new ATOM 0 HG3 LYS A 44 9.451 -3.830 -18.880 1.00 65.31 H new ATOM 0 HD2 LYS A 44 8.467 -4.808 -17.067 1.00 5.44 H new ATOM 0 HD3 LYS A 44 7.216 -5.218 -18.224 1.00 5.44 H new ATOM 0 HE2 LYS A 44 7.844 -7.446 -18.344 1.00 51.32 H new ATOM 0 HE3 LYS A 44 9.532 -7.107 -18.018 1.00 51.32 H new ATOM 0 HZ1 LYS A 44 8.488 -8.227 -16.158 1.00 73.35 H new ATOM 0 HZ2 LYS A 44 8.966 -6.664 -15.699 1.00 73.35 H new ATOM 0 HZ3 LYS A 44 7.330 -6.993 -16.015 1.00 73.35 H new ATOM 739 N ALA A 45 6.753 -6.349 -22.901 1.00 55.41 N ATOM 740 CA ALA A 45 5.455 -6.586 -23.521 1.00 14.15 C ATOM 741 C ALA A 45 5.017 -8.036 -23.341 1.00 2.44 C ATOM 742 O ALA A 45 3.854 -8.312 -23.046 1.00 62.43 O ATOM 743 CB ALA A 45 5.501 -6.226 -24.998 1.00 64.22 C ATOM 0 H ALA A 45 7.477 -6.031 -23.546 1.00 55.41 H new ATOM 0 HA ALA A 45 4.722 -5.948 -23.026 1.00 14.15 H new ATOM 0 HB1 ALA A 45 4.525 -6.408 -25.447 1.00 64.22 H new ATOM 0 HB2 ALA A 45 5.760 -5.173 -25.108 1.00 64.22 H new ATOM 0 HB3 ALA A 45 6.251 -6.838 -25.499 1.00 64.22 H new ATOM 749 N LYS A 46 5.956 -8.959 -23.520 1.00 1.51 N ATOM 750 CA LYS A 46 5.669 -10.381 -23.377 1.00 12.21 C ATOM 751 C LYS A 46 5.101 -10.685 -21.994 1.00 42.02 C ATOM 752 O LYS A 46 4.296 -11.601 -21.832 1.00 55.24 O ATOM 753 CB LYS A 46 6.937 -11.205 -23.612 1.00 10.51 C ATOM 754 CG LYS A 46 7.921 -11.150 -22.456 1.00 15.03 C ATOM 755 CD LYS A 46 9.233 -11.830 -22.808 1.00 2.43 C ATOM 756 CE LYS A 46 9.965 -11.088 -23.916 1.00 3.14 C ATOM 757 NZ LYS A 46 11.443 -11.154 -23.744 1.00 41.35 N ATOM 0 H LYS A 46 6.923 -8.747 -23.765 1.00 1.51 H new ATOM 0 HA LYS A 46 4.923 -10.652 -24.124 1.00 12.21 H new ATOM 0 HB2 LYS A 46 6.658 -12.243 -23.791 1.00 10.51 H new ATOM 0 HB3 LYS A 46 7.431 -10.847 -24.516 1.00 10.51 H new ATOM 0 HG2 LYS A 46 8.110 -10.111 -22.187 1.00 15.03 H new ATOM 0 HG3 LYS A 46 7.484 -11.632 -21.581 1.00 15.03 H new ATOM 0 HD2 LYS A 46 9.867 -11.881 -21.923 1.00 2.43 H new ATOM 0 HD3 LYS A 46 9.040 -12.856 -23.121 1.00 2.43 H new ATOM 0 HE2 LYS A 46 9.692 -11.515 -24.881 1.00 3.14 H new ATOM 0 HE3 LYS A 46 9.647 -10.046 -23.927 1.00 3.14 H new ATOM 0 HZ1 LYS A 46 11.906 -10.637 -24.518 1.00 41.35 H new ATOM 0 HZ2 LYS A 46 11.706 -10.724 -22.834 1.00 41.35 H new ATOM 0 HZ3 LYS A 46 11.750 -12.147 -23.759 1.00 41.35 H new ATOM 771 N GLU A 47 5.526 -9.910 -21.001 1.00 43.13 N ATOM 772 CA GLU A 47 5.059 -10.098 -19.633 1.00 12.51 C ATOM 773 C GLU A 47 3.624 -9.602 -19.475 1.00 60.44 C ATOM 774 O GLU A 47 2.808 -10.232 -18.802 1.00 11.10 O ATOM 775 CB GLU A 47 5.974 -9.362 -18.652 1.00 44.22 C ATOM 776 CG GLU A 47 5.914 -9.909 -17.236 1.00 24.00 C ATOM 777 CD GLU A 47 6.276 -11.380 -17.163 1.00 45.30 C ATOM 778 OE1 GLU A 47 7.311 -11.766 -17.746 1.00 74.43 O ATOM 779 OE2 GLU A 47 5.525 -12.144 -16.522 1.00 11.11 O ATOM 0 H GLU A 47 6.192 -9.147 -21.118 1.00 43.13 H new ATOM 0 HA GLU A 47 5.084 -11.165 -19.412 1.00 12.51 H new ATOM 0 HB2 GLU A 47 7.001 -9.421 -19.012 1.00 44.22 H new ATOM 0 HB3 GLU A 47 5.702 -8.307 -18.637 1.00 44.22 H new ATOM 0 HG2 GLU A 47 6.593 -9.340 -16.601 1.00 24.00 H new ATOM 0 HG3 GLU A 47 4.910 -9.766 -16.837 1.00 24.00 H new ATOM 786 N LYS A 48 3.323 -8.469 -20.101 1.00 64.41 N ATOM 787 CA LYS A 48 1.988 -7.888 -20.033 1.00 20.04 C ATOM 788 C LYS A 48 0.990 -8.723 -20.828 1.00 54.01 C ATOM 789 O LYS A 48 -0.161 -8.886 -20.422 1.00 32.11 O ATOM 790 CB LYS A 48 2.006 -6.453 -20.564 1.00 4.13 C ATOM 791 CG LYS A 48 3.095 -5.591 -19.949 1.00 1.43 C ATOM 792 CD LYS A 48 2.930 -5.474 -18.443 1.00 12.23 C ATOM 793 CE LYS A 48 4.027 -4.619 -17.826 1.00 74.03 C ATOM 794 NZ LYS A 48 3.639 -3.183 -17.759 1.00 54.11 N ATOM 0 H LYS A 48 3.987 -7.935 -20.662 1.00 64.41 H new ATOM 0 HA LYS A 48 1.676 -7.878 -18.989 1.00 20.04 H new ATOM 0 HB2 LYS A 48 2.140 -6.476 -21.645 1.00 4.13 H new ATOM 0 HB3 LYS A 48 1.037 -5.991 -20.373 1.00 4.13 H new ATOM 0 HG2 LYS A 48 4.071 -6.019 -20.177 1.00 1.43 H new ATOM 0 HG3 LYS A 48 3.070 -4.598 -20.397 1.00 1.43 H new ATOM 0 HD2 LYS A 48 1.957 -5.039 -18.215 1.00 12.23 H new ATOM 0 HD3 LYS A 48 2.947 -6.468 -17.996 1.00 12.23 H new ATOM 0 HE2 LYS A 48 4.250 -4.982 -16.823 1.00 74.03 H new ATOM 0 HE3 LYS A 48 4.940 -4.722 -18.412 1.00 74.03 H new ATOM 0 HZ1 LYS A 48 4.413 -2.634 -17.333 1.00 54.11 H new ATOM 0 HZ2 LYS A 48 3.451 -2.829 -18.719 1.00 54.11 H new ATOM 0 HZ3 LYS A 48 2.782 -3.082 -17.179 1.00 54.11 H new ATOM 808 N PHE A 49 1.438 -9.251 -21.962 1.00 53.24 N ATOM 809 CA PHE A 49 0.583 -10.070 -22.814 1.00 44.35 C ATOM 810 C PHE A 49 0.059 -11.283 -22.053 1.00 35.22 C ATOM 811 O PHE A 49 -1.062 -11.738 -22.284 1.00 63.03 O ATOM 812 CB PHE A 49 1.352 -10.526 -24.056 1.00 25.11 C ATOM 813 CG PHE A 49 0.629 -11.568 -24.860 1.00 72.00 C ATOM 814 CD1 PHE A 49 -0.215 -11.200 -25.896 1.00 23.20 C ATOM 815 CD2 PHE A 49 0.792 -12.915 -24.580 1.00 63.14 C ATOM 816 CE1 PHE A 49 -0.882 -12.157 -26.637 1.00 34.02 C ATOM 817 CE2 PHE A 49 0.128 -13.877 -25.318 1.00 55.42 C ATOM 818 CZ PHE A 49 -0.710 -13.497 -26.348 1.00 52.25 C ATOM 0 H PHE A 49 2.388 -9.127 -22.312 1.00 53.24 H new ATOM 0 HA PHE A 49 -0.267 -9.463 -23.124 1.00 44.35 H new ATOM 0 HB2 PHE A 49 1.548 -9.661 -24.690 1.00 25.11 H new ATOM 0 HB3 PHE A 49 2.320 -10.922 -23.749 1.00 25.11 H new ATOM 0 HD1 PHE A 49 -0.353 -10.154 -26.127 1.00 23.20 H new ATOM 0 HD2 PHE A 49 1.446 -13.217 -23.775 1.00 63.14 H new ATOM 0 HE1 PHE A 49 -1.537 -11.858 -27.442 1.00 34.02 H new ATOM 0 HE2 PHE A 49 0.264 -14.924 -25.090 1.00 55.42 H new ATOM 0 HZ PHE A 49 -1.230 -14.246 -26.927 1.00 52.25 H new ATOM 828 N SER A 50 0.877 -11.803 -21.143 1.00 51.05 N ATOM 829 CA SER A 50 0.498 -12.966 -20.350 1.00 60.42 C ATOM 830 C SER A 50 -0.769 -12.687 -19.547 1.00 61.33 C ATOM 831 O SER A 50 -1.577 -13.585 -19.312 1.00 70.11 O ATOM 832 CB SER A 50 1.637 -13.360 -19.407 1.00 53.13 C ATOM 833 OG SER A 50 1.504 -14.705 -18.981 1.00 1.21 O ATOM 0 H SER A 50 1.806 -11.437 -20.937 1.00 51.05 H new ATOM 0 HA SER A 50 0.299 -13.792 -21.033 1.00 60.42 H new ATOM 0 HB2 SER A 50 2.594 -13.228 -19.912 1.00 53.13 H new ATOM 0 HB3 SER A 50 1.641 -12.699 -18.540 1.00 53.13 H new ATOM 0 HG SER A 50 2.244 -14.933 -18.381 1.00 1.21 H new ATOM 839 N GLN A 51 -0.934 -11.436 -19.130 1.00 23.31 N ATOM 840 CA GLN A 51 -2.101 -11.038 -18.353 1.00 35.54 C ATOM 841 C GLN A 51 -3.376 -11.171 -19.179 1.00 34.41 C ATOM 842 O GLN A 51 -4.441 -11.494 -18.650 1.00 20.02 O ATOM 843 CB GLN A 51 -1.946 -9.598 -17.860 1.00 74.54 C ATOM 844 CG GLN A 51 -0.735 -9.388 -16.966 1.00 72.30 C ATOM 845 CD GLN A 51 -0.264 -7.948 -16.951 1.00 44.32 C ATOM 846 OE1 GLN A 51 -0.344 -7.246 -17.960 1.00 5.22 O ATOM 847 NE2 GLN A 51 0.232 -7.498 -15.804 1.00 73.40 N ATOM 0 H GLN A 51 -0.274 -10.681 -19.317 1.00 23.31 H new ATOM 0 HA GLN A 51 -2.176 -11.702 -17.492 1.00 35.54 H new ATOM 0 HB2 GLN A 51 -1.871 -8.934 -18.721 1.00 74.54 H new ATOM 0 HB3 GLN A 51 -2.845 -9.311 -17.314 1.00 74.54 H new ATOM 0 HG2 GLN A 51 -0.980 -9.697 -15.950 1.00 72.30 H new ATOM 0 HG3 GLN A 51 0.078 -10.029 -17.306 1.00 72.30 H new ATOM 0 HE21 GLN A 51 0.280 -8.114 -14.992 1.00 73.40 H new ATOM 0 HE22 GLN A 51 0.565 -6.536 -15.735 1.00 73.40 H new ATOM 856 N LEU A 52 -3.262 -10.921 -20.478 1.00 50.53 N ATOM 857 CA LEU A 52 -4.406 -11.012 -21.379 1.00 11.22 C ATOM 858 C LEU A 52 -4.910 -12.448 -21.475 1.00 71.31 C ATOM 859 O LEU A 52 -6.093 -12.717 -21.269 1.00 11.45 O ATOM 860 CB LEU A 52 -4.028 -10.498 -22.769 1.00 53.40 C ATOM 861 CG LEU A 52 -3.341 -9.132 -22.816 1.00 33.41 C ATOM 862 CD1 LEU A 52 -2.658 -8.924 -24.159 1.00 32.34 C ATOM 863 CD2 LEU A 52 -4.345 -8.021 -22.548 1.00 53.42 C ATOM 0 H LEU A 52 -2.389 -10.653 -20.932 1.00 50.53 H new ATOM 0 HA LEU A 52 -5.206 -10.392 -20.975 1.00 11.22 H new ATOM 0 HB2 LEU A 52 -3.370 -11.229 -23.238 1.00 53.40 H new ATOM 0 HB3 LEU A 52 -4.933 -10.448 -23.375 1.00 53.40 H new ATOM 0 HG LEU A 52 -2.580 -9.102 -22.036 1.00 33.41 H new ATOM 0 HD11 LEU A 52 -2.175 -7.947 -24.174 1.00 32.34 H new ATOM 0 HD12 LEU A 52 -1.909 -9.702 -24.311 1.00 32.34 H new ATOM 0 HD13 LEU A 52 -3.400 -8.974 -24.956 1.00 32.34 H new ATOM 0 HD21 LEU A 52 -3.839 -7.056 -22.585 1.00 53.42 H new ATOM 0 HD22 LEU A 52 -5.129 -8.049 -23.305 1.00 53.42 H new ATOM 0 HD23 LEU A 52 -4.788 -8.161 -21.562 1.00 53.42 H new ATOM 875 N ALA A 53 -4.003 -13.368 -21.788 1.00 74.21 N ATOM 876 CA ALA A 53 -4.355 -14.778 -21.907 1.00 50.23 C ATOM 877 C ALA A 53 -4.780 -15.353 -20.561 1.00 21.34 C ATOM 878 O ALA A 53 -5.658 -16.212 -20.492 1.00 73.34 O ATOM 879 CB ALA A 53 -3.185 -15.567 -22.475 1.00 70.34 C ATOM 0 H ALA A 53 -3.020 -13.162 -21.964 1.00 74.21 H new ATOM 0 HA ALA A 53 -5.200 -14.860 -22.590 1.00 50.23 H new ATOM 0 HB1 ALA A 53 -3.461 -16.618 -22.559 1.00 70.34 H new ATOM 0 HB2 ALA A 53 -2.929 -15.179 -23.461 1.00 70.34 H new ATOM 0 HB3 ALA A 53 -2.325 -15.470 -21.813 1.00 70.34 H new ATOM 885 N GLU A 54 -4.150 -14.875 -19.492 1.00 51.42 N ATOM 886 CA GLU A 54 -4.463 -15.344 -18.148 1.00 12.04 C ATOM 887 C GLU A 54 -5.921 -15.060 -17.798 1.00 74.41 C ATOM 888 O GLU A 54 -6.646 -15.947 -17.348 1.00 14.23 O ATOM 889 CB GLU A 54 -3.543 -14.677 -17.123 1.00 42.13 C ATOM 890 CG GLU A 54 -2.235 -15.419 -16.906 1.00 62.02 C ATOM 891 CD GLU A 54 -2.428 -16.749 -16.204 1.00 13.00 C ATOM 892 OE1 GLU A 54 -3.593 -17.172 -16.046 1.00 62.03 O ATOM 893 OE2 GLU A 54 -1.416 -17.366 -15.812 1.00 32.30 O ATOM 0 H GLU A 54 -3.420 -14.164 -19.531 1.00 51.42 H new ATOM 0 HA GLU A 54 -4.304 -16.422 -18.122 1.00 12.04 H new ATOM 0 HB2 GLU A 54 -3.324 -13.661 -17.451 1.00 42.13 H new ATOM 0 HB3 GLU A 54 -4.069 -14.599 -16.172 1.00 42.13 H new ATOM 0 HG2 GLU A 54 -1.753 -15.587 -17.869 1.00 62.02 H new ATOM 0 HG3 GLU A 54 -1.562 -14.796 -16.317 1.00 62.02 H new ATOM 900 N ALA A 55 -6.343 -13.818 -18.009 1.00 13.12 N ATOM 901 CA ALA A 55 -7.714 -13.417 -17.718 1.00 11.01 C ATOM 902 C ALA A 55 -8.688 -14.020 -18.724 1.00 61.53 C ATOM 903 O ALA A 55 -9.760 -14.501 -18.355 1.00 4.15 O ATOM 904 CB ALA A 55 -7.830 -11.900 -17.712 1.00 55.13 C ATOM 0 H ALA A 55 -5.755 -13.072 -18.380 1.00 13.12 H new ATOM 0 HA ALA A 55 -7.974 -13.794 -16.729 1.00 11.01 H new ATOM 0 HB1 ALA A 55 -8.859 -11.615 -17.493 1.00 55.13 H new ATOM 0 HB2 ALA A 55 -7.169 -11.488 -16.949 1.00 55.13 H new ATOM 0 HB3 ALA A 55 -7.545 -11.509 -18.689 1.00 55.13 H new ATOM 910 N TYR A 56 -8.309 -13.992 -19.997 1.00 51.21 N ATOM 911 CA TYR A 56 -9.151 -14.533 -21.057 1.00 62.44 C ATOM 912 C TYR A 56 -9.434 -16.014 -20.825 1.00 61.54 C ATOM 913 O TYR A 56 -10.457 -16.538 -21.265 1.00 41.24 O ATOM 914 CB TYR A 56 -8.481 -14.338 -22.419 1.00 13.22 C ATOM 915 CG TYR A 56 -9.042 -15.230 -23.503 1.00 21.30 C ATOM 916 CD1 TYR A 56 -10.151 -14.843 -24.245 1.00 2.10 C ATOM 917 CD2 TYR A 56 -8.462 -16.461 -23.786 1.00 4.30 C ATOM 918 CE1 TYR A 56 -10.667 -15.656 -25.236 1.00 4.42 C ATOM 919 CE2 TYR A 56 -8.970 -17.279 -24.776 1.00 62.31 C ATOM 920 CZ TYR A 56 -10.073 -16.873 -25.498 1.00 4.52 C ATOM 921 OH TYR A 56 -10.583 -17.684 -26.485 1.00 65.30 O ATOM 0 H TYR A 56 -7.424 -13.600 -20.320 1.00 51.21 H new ATOM 0 HA TYR A 56 -10.098 -13.994 -21.045 1.00 62.44 H new ATOM 0 HB2 TYR A 56 -8.592 -13.297 -22.723 1.00 13.22 H new ATOM 0 HB3 TYR A 56 -7.413 -14.529 -22.320 1.00 13.22 H new ATOM 0 HD1 TYR A 56 -10.618 -13.890 -24.044 1.00 2.10 H new ATOM 0 HD2 TYR A 56 -7.599 -16.783 -23.222 1.00 4.30 H new ATOM 0 HE1 TYR A 56 -11.531 -15.340 -25.802 1.00 4.42 H new ATOM 0 HE2 TYR A 56 -8.506 -18.232 -24.984 1.00 62.31 H new ATOM 0 HH TYR A 56 -10.049 -18.504 -26.543 1.00 65.30 H new ATOM 931 N GLU A 57 -8.519 -16.683 -20.130 1.00 71.33 N ATOM 932 CA GLU A 57 -8.670 -18.104 -19.839 1.00 61.24 C ATOM 933 C GLU A 57 -9.927 -18.360 -19.014 1.00 35.11 C ATOM 934 O GLU A 57 -10.725 -19.241 -19.334 1.00 74.22 O ATOM 935 CB GLU A 57 -7.441 -18.628 -19.093 1.00 12.10 C ATOM 936 CG GLU A 57 -6.525 -19.482 -19.953 1.00 2.01 C ATOM 937 CD GLU A 57 -7.054 -20.889 -20.150 1.00 72.13 C ATOM 938 OE1 GLU A 57 -6.958 -21.698 -19.204 1.00 65.22 O ATOM 939 OE2 GLU A 57 -7.566 -21.181 -21.252 1.00 3.32 O ATOM 0 H GLU A 57 -7.666 -16.264 -19.758 1.00 71.33 H new ATOM 0 HA GLU A 57 -8.764 -18.635 -20.786 1.00 61.24 H new ATOM 0 HB2 GLU A 57 -6.875 -17.782 -18.703 1.00 12.10 H new ATOM 0 HB3 GLU A 57 -7.770 -19.214 -18.235 1.00 12.10 H new ATOM 0 HG2 GLU A 57 -6.398 -19.006 -20.925 1.00 2.01 H new ATOM 0 HG3 GLU A 57 -5.539 -19.530 -19.490 1.00 2.01 H new ATOM 946 N VAL A 58 -10.097 -17.583 -17.948 1.00 71.55 N ATOM 947 CA VAL A 58 -11.257 -17.725 -17.076 1.00 40.34 C ATOM 948 C VAL A 58 -12.509 -17.150 -17.730 1.00 1.25 C ATOM 949 O VAL A 58 -13.598 -17.712 -17.612 1.00 33.44 O ATOM 950 CB VAL A 58 -11.030 -17.025 -15.723 1.00 31.20 C ATOM 951 CG1 VAL A 58 -12.168 -17.336 -14.763 1.00 74.53 C ATOM 952 CG2 VAL A 58 -9.692 -17.438 -15.128 1.00 73.11 C ATOM 0 H VAL A 58 -9.446 -16.849 -17.668 1.00 71.55 H new ATOM 0 HA VAL A 58 -11.397 -18.792 -16.905 1.00 40.34 H new ATOM 0 HB VAL A 58 -11.011 -15.948 -15.889 1.00 31.20 H new ATOM 0 HG11 VAL A 58 -11.990 -16.833 -13.813 1.00 74.53 H new ATOM 0 HG12 VAL A 58 -13.109 -16.986 -15.188 1.00 74.53 H new ATOM 0 HG13 VAL A 58 -12.222 -18.412 -14.599 1.00 74.53 H new ATOM 0 HG21 VAL A 58 -9.548 -16.934 -14.172 1.00 73.11 H new ATOM 0 HG22 VAL A 58 -9.679 -18.517 -14.975 1.00 73.11 H new ATOM 0 HG23 VAL A 58 -8.889 -17.159 -15.810 1.00 73.11 H new ATOM 962 N LEU A 59 -12.347 -16.026 -18.419 1.00 64.11 N ATOM 963 CA LEU A 59 -13.464 -15.374 -19.093 1.00 11.21 C ATOM 964 C LEU A 59 -13.862 -16.138 -20.352 1.00 3.40 C ATOM 965 O LEU A 59 -14.874 -15.832 -20.982 1.00 0.31 O ATOM 966 CB LEU A 59 -13.098 -13.932 -19.451 1.00 71.42 C ATOM 967 CG LEU A 59 -12.680 -13.036 -18.285 1.00 31.31 C ATOM 968 CD1 LEU A 59 -12.576 -11.588 -18.736 1.00 10.45 C ATOM 969 CD2 LEU A 59 -13.664 -13.169 -17.131 1.00 42.34 C ATOM 0 H LEU A 59 -11.453 -15.547 -18.526 1.00 64.11 H new ATOM 0 HA LEU A 59 -14.314 -15.368 -18.411 1.00 11.21 H new ATOM 0 HB2 LEU A 59 -12.284 -13.954 -20.176 1.00 71.42 H new ATOM 0 HB3 LEU A 59 -13.954 -13.474 -19.947 1.00 71.42 H new ATOM 0 HG LEU A 59 -11.698 -13.358 -17.937 1.00 31.31 H new ATOM 0 HD11 LEU A 59 -12.277 -10.965 -17.893 1.00 10.45 H new ATOM 0 HD12 LEU A 59 -11.832 -11.506 -19.529 1.00 10.45 H new ATOM 0 HD13 LEU A 59 -13.543 -11.253 -19.110 1.00 10.45 H new ATOM 0 HD21 LEU A 59 -13.351 -12.524 -16.310 1.00 42.34 H new ATOM 0 HD22 LEU A 59 -14.659 -12.874 -17.465 1.00 42.34 H new ATOM 0 HD23 LEU A 59 -13.688 -14.204 -16.791 1.00 42.34 H new ATOM 981 N SER A 60 -13.059 -17.134 -20.712 1.00 30.24 N ATOM 982 CA SER A 60 -13.326 -17.941 -21.896 1.00 71.33 C ATOM 983 C SER A 60 -14.469 -18.919 -21.641 1.00 71.11 C ATOM 984 O SER A 60 -15.045 -19.476 -22.576 1.00 65.21 O ATOM 985 CB SER A 60 -12.068 -18.707 -22.312 1.00 54.42 C ATOM 986 OG SER A 60 -12.377 -19.725 -23.248 1.00 50.44 O ATOM 0 H SER A 60 -12.218 -17.401 -20.200 1.00 30.24 H new ATOM 0 HA SER A 60 -13.618 -17.270 -22.704 1.00 71.33 H new ATOM 0 HB2 SER A 60 -11.345 -18.017 -22.746 1.00 54.42 H new ATOM 0 HB3 SER A 60 -11.599 -19.148 -21.432 1.00 54.42 H new ATOM 0 HG SER A 60 -11.557 -20.199 -23.499 1.00 50.44 H new ATOM 992 N ASP A 61 -14.792 -19.122 -20.369 1.00 30.53 N ATOM 993 CA ASP A 61 -15.867 -20.032 -19.989 1.00 23.04 C ATOM 994 C ASP A 61 -16.713 -19.435 -18.869 1.00 14.02 C ATOM 995 O ASP A 61 -16.184 -18.940 -17.875 1.00 3.42 O ATOM 996 CB ASP A 61 -15.292 -21.379 -19.547 1.00 43.24 C ATOM 997 CG ASP A 61 -16.136 -22.549 -20.011 1.00 74.14 C ATOM 998 OD1 ASP A 61 -16.231 -22.764 -21.238 1.00 45.33 O ATOM 999 OD2 ASP A 61 -16.703 -23.251 -19.148 1.00 2.32 O ATOM 0 H ASP A 61 -14.325 -18.669 -19.583 1.00 30.53 H new ATOM 0 HA ASP A 61 -16.504 -20.186 -20.860 1.00 23.04 H new ATOM 0 HB2 ASP A 61 -14.281 -21.486 -19.940 1.00 43.24 H new ATOM 0 HB3 ASP A 61 -15.215 -21.399 -18.460 1.00 43.24 H new ATOM 1004 N GLU A 62 -18.031 -19.485 -19.039 1.00 21.22 N ATOM 1005 CA GLU A 62 -18.950 -18.947 -18.043 1.00 20.23 C ATOM 1006 C GLU A 62 -18.705 -19.582 -16.677 1.00 23.20 C ATOM 1007 O GLU A 62 -18.682 -18.895 -15.656 1.00 22.44 O ATOM 1008 CB GLU A 62 -20.399 -19.182 -18.474 1.00 31.31 C ATOM 1009 CG GLU A 62 -20.705 -20.631 -18.817 1.00 2.40 C ATOM 1010 CD GLU A 62 -22.099 -20.814 -19.385 1.00 43.11 C ATOM 1011 OE1 GLU A 62 -22.466 -20.058 -20.309 1.00 71.00 O ATOM 1012 OE2 GLU A 62 -22.822 -21.712 -18.906 1.00 62.13 O ATOM 0 H GLU A 62 -18.485 -19.892 -19.856 1.00 21.22 H new ATOM 0 HA GLU A 62 -18.771 -17.875 -17.963 1.00 20.23 H new ATOM 0 HB2 GLU A 62 -21.064 -18.859 -17.673 1.00 31.31 H new ATOM 0 HB3 GLU A 62 -20.617 -18.558 -19.341 1.00 31.31 H new ATOM 0 HG2 GLU A 62 -19.972 -20.992 -19.539 1.00 2.40 H new ATOM 0 HG3 GLU A 62 -20.598 -21.243 -17.921 1.00 2.40 H new ATOM 1019 N VAL A 63 -18.522 -20.899 -16.667 1.00 54.13 N ATOM 1020 CA VAL A 63 -18.278 -21.628 -15.428 1.00 54.23 C ATOM 1021 C VAL A 63 -17.033 -21.107 -14.720 1.00 42.24 C ATOM 1022 O VAL A 63 -17.066 -20.795 -13.530 1.00 30.33 O ATOM 1023 CB VAL A 63 -18.114 -23.137 -15.688 1.00 74.11 C ATOM 1024 CG1 VAL A 63 -18.042 -23.900 -14.374 1.00 63.44 C ATOM 1025 CG2 VAL A 63 -19.253 -23.655 -16.553 1.00 34.30 C ATOM 0 H VAL A 63 -18.538 -21.483 -17.503 1.00 54.13 H new ATOM 0 HA VAL A 63 -19.148 -21.469 -14.791 1.00 54.23 H new ATOM 0 HB VAL A 63 -17.179 -23.296 -16.225 1.00 74.11 H new ATOM 0 HG11 VAL A 63 -17.926 -24.965 -14.577 1.00 63.44 H new ATOM 0 HG12 VAL A 63 -17.189 -23.546 -13.794 1.00 63.44 H new ATOM 0 HG13 VAL A 63 -18.959 -23.736 -13.808 1.00 63.44 H new ATOM 0 HG21 VAL A 63 -19.121 -24.723 -16.727 1.00 34.30 H new ATOM 0 HG22 VAL A 63 -20.202 -23.484 -16.045 1.00 34.30 H new ATOM 0 HG23 VAL A 63 -19.253 -23.129 -17.508 1.00 34.30 H new ATOM 1035 N LYS A 64 -15.934 -21.014 -15.461 1.00 5.31 N ATOM 1036 CA LYS A 64 -14.675 -20.528 -14.906 1.00 75.41 C ATOM 1037 C LYS A 64 -14.810 -19.084 -14.434 1.00 60.14 C ATOM 1038 O LYS A 64 -14.381 -18.738 -13.333 1.00 71.44 O ATOM 1039 CB LYS A 64 -13.560 -20.634 -15.949 1.00 12.13 C ATOM 1040 CG LYS A 64 -13.067 -22.053 -16.171 1.00 34.32 C ATOM 1041 CD LYS A 64 -11.554 -22.140 -16.070 1.00 62.32 C ATOM 1042 CE LYS A 64 -11.070 -21.829 -14.662 1.00 41.02 C ATOM 1043 NZ LYS A 64 -9.630 -22.163 -14.484 1.00 22.40 N ATOM 0 H LYS A 64 -15.889 -21.269 -16.448 1.00 5.31 H new ATOM 0 HA LYS A 64 -14.421 -21.149 -14.047 1.00 75.41 H new ATOM 0 HB2 LYS A 64 -13.920 -20.231 -16.896 1.00 12.13 H new ATOM 0 HB3 LYS A 64 -12.721 -20.012 -15.636 1.00 12.13 H new ATOM 0 HG2 LYS A 64 -13.520 -22.716 -15.434 1.00 34.32 H new ATOM 0 HG3 LYS A 64 -13.388 -22.401 -17.153 1.00 34.32 H new ATOM 0 HD2 LYS A 64 -11.226 -23.139 -16.356 1.00 62.32 H new ATOM 0 HD3 LYS A 64 -11.101 -21.442 -16.774 1.00 62.32 H new ATOM 0 HE2 LYS A 64 -11.226 -20.771 -14.450 1.00 41.02 H new ATOM 0 HE3 LYS A 64 -11.665 -22.390 -13.941 1.00 41.02 H new ATOM 0 HZ1 LYS A 64 -9.339 -21.937 -13.512 1.00 22.40 H new ATOM 0 HZ2 LYS A 64 -9.484 -23.177 -14.662 1.00 22.40 H new ATOM 0 HZ3 LYS A 64 -9.060 -21.609 -15.154 1.00 22.40 H new ATOM 1057 N ARG A 65 -15.409 -18.246 -15.274 1.00 11.43 N ATOM 1058 CA ARG A 65 -15.600 -16.839 -14.942 1.00 11.12 C ATOM 1059 C ARG A 65 -16.455 -16.688 -13.687 1.00 1.41 C ATOM 1060 O ARG A 65 -16.150 -15.880 -12.808 1.00 75.45 O ATOM 1061 CB ARG A 65 -16.256 -16.102 -16.111 1.00 12.33 C ATOM 1062 CG ARG A 65 -16.616 -14.659 -15.796 1.00 3.21 C ATOM 1063 CD ARG A 65 -17.424 -14.028 -16.919 1.00 60.41 C ATOM 1064 NE ARG A 65 -18.766 -14.597 -17.013 1.00 40.24 N ATOM 1065 CZ ARG A 65 -19.783 -13.985 -17.611 1.00 23.41 C ATOM 1066 NH1 ARG A 65 -19.611 -12.793 -18.165 1.00 2.05 N ATOM 1067 NH2 ARG A 65 -20.974 -14.567 -17.656 1.00 35.12 N ATOM 0 H ARG A 65 -15.770 -18.517 -16.189 1.00 11.43 H new ATOM 0 HA ARG A 65 -14.621 -16.401 -14.749 1.00 11.12 H new ATOM 0 HB2 ARG A 65 -15.581 -16.121 -16.966 1.00 12.33 H new ATOM 0 HB3 ARG A 65 -17.159 -16.637 -16.406 1.00 12.33 H new ATOM 0 HG2 ARG A 65 -17.188 -14.620 -14.869 1.00 3.21 H new ATOM 0 HG3 ARG A 65 -15.705 -14.083 -15.634 1.00 3.21 H new ATOM 0 HD2 ARG A 65 -17.497 -12.953 -16.754 1.00 60.41 H new ATOM 0 HD3 ARG A 65 -16.902 -14.171 -17.865 1.00 60.41 H new ATOM 0 HE ARG A 65 -18.932 -15.514 -16.597 1.00 40.24 H new ATOM 0 HH11 ARG A 65 -18.696 -12.343 -18.133 1.00 2.05 H new ATOM 0 HH12 ARG A 65 -20.393 -12.326 -18.623 1.00 2.05 H new ATOM 0 HH21 ARG A 65 -21.110 -15.485 -17.232 1.00 35.12 H new ATOM 0 HH22 ARG A 65 -21.754 -14.097 -18.115 1.00 35.12 H new ATOM 1081 N LYS A 66 -17.527 -17.469 -13.610 1.00 23.24 N ATOM 1082 CA LYS A 66 -18.426 -17.424 -12.463 1.00 52.10 C ATOM 1083 C LYS A 66 -17.720 -17.901 -11.198 1.00 44.40 C ATOM 1084 O LYS A 66 -17.885 -17.317 -10.127 1.00 73.22 O ATOM 1085 CB LYS A 66 -19.663 -18.286 -12.725 1.00 31.12 C ATOM 1086 CG LYS A 66 -20.608 -17.697 -13.757 1.00 51.55 C ATOM 1087 CD LYS A 66 -21.404 -16.535 -13.186 1.00 72.22 C ATOM 1088 CE LYS A 66 -21.874 -15.589 -14.281 1.00 23.32 C ATOM 1089 NZ LYS A 66 -22.960 -16.189 -15.104 1.00 64.53 N ATOM 0 H LYS A 66 -17.795 -18.141 -14.329 1.00 23.24 H new ATOM 0 HA LYS A 66 -18.735 -16.389 -12.316 1.00 52.10 H new ATOM 0 HB2 LYS A 66 -19.343 -19.273 -13.059 1.00 31.12 H new ATOM 0 HB3 LYS A 66 -20.203 -18.426 -11.788 1.00 31.12 H new ATOM 0 HG2 LYS A 66 -20.038 -17.358 -14.622 1.00 51.55 H new ATOM 0 HG3 LYS A 66 -21.292 -18.470 -14.108 1.00 51.55 H new ATOM 0 HD2 LYS A 66 -22.266 -16.917 -12.639 1.00 72.22 H new ATOM 0 HD3 LYS A 66 -20.789 -15.988 -12.471 1.00 72.22 H new ATOM 0 HE2 LYS A 66 -22.229 -14.661 -13.832 1.00 23.32 H new ATOM 0 HE3 LYS A 66 -21.032 -15.330 -14.923 1.00 23.32 H new ATOM 0 HZ1 LYS A 66 -23.252 -15.513 -15.839 1.00 64.53 H new ATOM 0 HZ2 LYS A 66 -22.614 -17.061 -15.553 1.00 64.53 H new ATOM 0 HZ3 LYS A 66 -23.773 -16.413 -14.496 1.00 64.53 H new ATOM 1103 N GLN A 67 -16.931 -18.963 -11.330 1.00 54.44 N ATOM 1104 CA GLN A 67 -16.199 -19.516 -10.197 1.00 54.02 C ATOM 1105 C GLN A 67 -15.265 -18.474 -9.591 1.00 50.14 C ATOM 1106 O GLN A 67 -15.112 -18.397 -8.372 1.00 51.21 O ATOM 1107 CB GLN A 67 -15.399 -20.745 -10.631 1.00 60.12 C ATOM 1108 CG GLN A 67 -16.235 -22.011 -10.731 1.00 64.11 C ATOM 1109 CD GLN A 67 -16.940 -22.349 -9.432 1.00 43.03 C ATOM 1110 OE1 GLN A 67 -16.372 -23.001 -8.556 1.00 21.33 O ATOM 1111 NE2 GLN A 67 -18.185 -21.906 -9.302 1.00 5.45 N ATOM 0 H GLN A 67 -16.783 -19.457 -12.210 1.00 54.44 H new ATOM 0 HA GLN A 67 -16.923 -19.812 -9.438 1.00 54.02 H new ATOM 0 HB2 GLN A 67 -14.939 -20.546 -11.599 1.00 60.12 H new ATOM 0 HB3 GLN A 67 -14.588 -20.910 -9.921 1.00 60.12 H new ATOM 0 HG2 GLN A 67 -16.976 -21.891 -11.521 1.00 64.11 H new ATOM 0 HG3 GLN A 67 -15.593 -22.844 -11.019 1.00 64.11 H new ATOM 0 HE21 GLN A 67 -18.616 -21.369 -10.054 1.00 5.45 H new ATOM 0 HE22 GLN A 67 -18.710 -22.103 -8.450 1.00 5.45 H new ATOM 1120 N TYR A 68 -14.642 -17.675 -10.450 1.00 53.43 N ATOM 1121 CA TYR A 68 -13.720 -16.639 -10.000 1.00 13.31 C ATOM 1122 C TYR A 68 -14.470 -15.508 -9.303 1.00 12.32 C ATOM 1123 O TYR A 68 -13.987 -14.938 -8.324 1.00 33.42 O ATOM 1124 CB TYR A 68 -12.925 -16.085 -11.183 1.00 41.12 C ATOM 1125 CG TYR A 68 -12.074 -14.885 -10.832 1.00 60.24 C ATOM 1126 CD1 TYR A 68 -10.835 -15.042 -10.224 1.00 23.22 C ATOM 1127 CD2 TYR A 68 -12.509 -13.595 -11.109 1.00 34.14 C ATOM 1128 CE1 TYR A 68 -10.054 -13.949 -9.901 1.00 30.12 C ATOM 1129 CE2 TYR A 68 -11.735 -12.496 -10.791 1.00 22.45 C ATOM 1130 CZ TYR A 68 -10.508 -12.678 -10.187 1.00 32.54 C ATOM 1131 OH TYR A 68 -9.734 -11.587 -9.867 1.00 12.51 O ATOM 0 H TYR A 68 -14.759 -17.725 -11.462 1.00 53.43 H new ATOM 0 HA TYR A 68 -13.030 -17.088 -9.286 1.00 13.31 H new ATOM 0 HB2 TYR A 68 -12.283 -16.872 -11.579 1.00 41.12 H new ATOM 0 HB3 TYR A 68 -13.618 -15.809 -11.978 1.00 41.12 H new ATOM 0 HD1 TYR A 68 -10.476 -16.036 -10.000 1.00 23.22 H new ATOM 0 HD2 TYR A 68 -13.469 -13.449 -11.581 1.00 34.14 H new ATOM 0 HE1 TYR A 68 -9.094 -14.089 -9.427 1.00 30.12 H new ATOM 0 HE2 TYR A 68 -12.088 -11.500 -11.014 1.00 22.45 H new ATOM 0 HH TYR A 68 -10.311 -10.808 -9.720 1.00 12.51 H new ATOM 1141 N ASP A 69 -15.654 -15.188 -9.814 1.00 62.23 N ATOM 1142 CA ASP A 69 -16.473 -14.127 -9.241 1.00 52.43 C ATOM 1143 C ASP A 69 -16.913 -14.484 -7.825 1.00 31.20 C ATOM 1144 O ASP A 69 -17.173 -13.605 -7.005 1.00 0.44 O ATOM 1145 CB ASP A 69 -17.699 -13.869 -10.119 1.00 44.54 C ATOM 1146 CG ASP A 69 -18.409 -12.579 -9.757 1.00 71.22 C ATOM 1147 OD1 ASP A 69 -19.415 -12.643 -9.020 1.00 24.42 O ATOM 1148 OD2 ASP A 69 -17.960 -11.506 -10.212 1.00 13.00 O ATOM 0 H ASP A 69 -16.068 -15.649 -10.624 1.00 62.23 H new ATOM 0 HA ASP A 69 -15.870 -13.220 -9.197 1.00 52.43 H new ATOM 0 HB2 ASP A 69 -17.392 -13.831 -11.164 1.00 44.54 H new ATOM 0 HB3 ASP A 69 -18.394 -14.703 -10.021 1.00 44.54 H new ATOM 1153 N ALA A 70 -16.995 -15.781 -7.546 1.00 11.00 N ATOM 1154 CA ALA A 70 -17.403 -16.255 -6.229 1.00 44.21 C ATOM 1155 C ALA A 70 -16.380 -15.869 -5.166 1.00 43.30 C ATOM 1156 O ALA A 70 -16.722 -15.695 -3.996 1.00 45.31 O ATOM 1157 CB ALA A 70 -17.602 -17.763 -6.249 1.00 60.03 C ATOM 0 H ALA A 70 -16.784 -16.522 -8.214 1.00 11.00 H new ATOM 0 HA ALA A 70 -18.350 -15.778 -5.976 1.00 44.21 H new ATOM 0 HB1 ALA A 70 -17.906 -18.103 -5.259 1.00 60.03 H new ATOM 0 HB2 ALA A 70 -18.375 -18.018 -6.974 1.00 60.03 H new ATOM 0 HB3 ALA A 70 -16.667 -18.250 -6.528 1.00 60.03 H new ATOM 1163 N TYR A 71 -15.124 -15.737 -5.580 1.00 15.11 N ATOM 1164 CA TYR A 71 -14.051 -15.374 -4.662 1.00 71.50 C ATOM 1165 C TYR A 71 -13.564 -13.953 -4.928 1.00 24.51 C ATOM 1166 O TYR A 71 -12.411 -13.619 -4.656 1.00 14.04 O ATOM 1167 CB TYR A 71 -12.887 -16.358 -4.792 1.00 43.31 C ATOM 1168 CG TYR A 71 -13.159 -17.705 -4.162 1.00 64.11 C ATOM 1169 CD1 TYR A 71 -12.528 -18.083 -2.983 1.00 61.13 C ATOM 1170 CD2 TYR A 71 -14.047 -18.600 -4.746 1.00 14.24 C ATOM 1171 CE1 TYR A 71 -12.773 -19.313 -2.405 1.00 21.41 C ATOM 1172 CE2 TYR A 71 -14.300 -19.832 -4.173 1.00 43.34 C ATOM 1173 CZ TYR A 71 -13.660 -20.184 -3.003 1.00 63.04 C ATOM 1174 OH TYR A 71 -13.908 -21.410 -2.430 1.00 5.14 O ATOM 0 H TYR A 71 -14.824 -15.876 -6.545 1.00 15.11 H new ATOM 0 HA TYR A 71 -14.444 -15.419 -3.646 1.00 71.50 H new ATOM 0 HB2 TYR A 71 -12.659 -16.500 -5.848 1.00 43.31 H new ATOM 0 HB3 TYR A 71 -12.001 -15.923 -4.330 1.00 43.31 H new ATOM 0 HD1 TYR A 71 -11.834 -17.403 -2.511 1.00 61.13 H new ATOM 0 HD2 TYR A 71 -14.548 -18.328 -5.663 1.00 14.24 H new ATOM 0 HE1 TYR A 71 -12.273 -19.592 -1.489 1.00 21.41 H new ATOM 0 HE2 TYR A 71 -14.995 -20.515 -4.639 1.00 43.34 H new ATOM 0 HH TYR A 71 -14.557 -21.901 -2.976 1.00 5.14 H new ATOM 1184 N GLY A 72 -14.452 -13.120 -5.462 1.00 24.20 N ATOM 1185 CA GLY A 72 -14.095 -11.745 -5.756 1.00 2.42 C ATOM 1186 C GLY A 72 -14.806 -10.756 -4.853 1.00 41.34 C ATOM 1187 O GLY A 72 -15.794 -11.097 -4.203 1.00 64.52 O ATOM 0 H GLY A 72 -15.412 -13.373 -5.696 1.00 24.20 H new ATOM 0 HA2 GLY A 72 -13.017 -11.621 -5.648 1.00 2.42 H new ATOM 0 HA3 GLY A 72 -14.339 -11.524 -6.795 1.00 2.42 H new ATOM 1191 N SER A 73 -14.302 -9.526 -4.812 1.00 20.41 N ATOM 1192 CA SER A 73 -14.892 -8.486 -3.978 1.00 33.11 C ATOM 1193 C SER A 73 -16.231 -8.027 -4.548 1.00 61.12 C ATOM 1194 O SER A 73 -17.089 -7.529 -3.821 1.00 24.33 O ATOM 1195 CB SER A 73 -13.939 -7.295 -3.861 1.00 15.11 C ATOM 1196 OG SER A 73 -12.701 -7.686 -3.294 1.00 60.23 O ATOM 0 H SER A 73 -13.487 -9.226 -5.347 1.00 20.41 H new ATOM 0 HA SER A 73 -15.063 -8.904 -2.986 1.00 33.11 H new ATOM 0 HB2 SER A 73 -13.770 -6.862 -4.847 1.00 15.11 H new ATOM 0 HB3 SER A 73 -14.395 -6.519 -3.246 1.00 15.11 H new ATOM 0 HG SER A 73 -12.392 -6.993 -2.673 1.00 60.23 H new TER 1202 SER A 73