USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 117:sc= 0.828 USER MOD Single : A 9 SER OG : rot -9:sc= -0.4! USER MOD Single : A 14 TYR OH : rot 15:sc= -0.253 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 ASN : amide:sc= -2 X(o=-2,f=-2.2!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 30 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.21) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 6:sc= 0.152 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 61 ASN : amide:sc= -0.0142 K(o=-0.014,f=-14!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.82 K(o=-1.8,f=-9.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-0.41) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.868 0.240 10.461 1.00 0.00 N ATOM 2 CA GLY A 1 -7.016 1.088 10.732 1.00 0.00 C ATOM 3 C GLY A 1 -8.178 0.754 9.794 1.00 0.00 C ATOM 4 O GLY A 1 -8.545 -0.410 9.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.094 0.486 11.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.132 -0.756 10.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.555 0.382 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.331 0.959 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.736 2.135 10.612 1.00 0.00 H new ATOM 8 N SER A 2 -8.724 1.797 9.187 1.00 0.00 N ATOM 9 CA SER A 2 -9.837 1.630 8.267 1.00 0.00 C ATOM 10 C SER A 2 -9.325 1.603 6.826 1.00 0.00 C ATOM 11 O SER A 2 -8.427 2.364 6.468 1.00 0.00 O ATOM 12 CB SER A 2 -10.870 2.745 8.443 1.00 0.00 C ATOM 13 OG SER A 2 -11.265 2.896 9.804 1.00 0.00 O ATOM 0 H SER A 2 -8.417 2.761 9.314 1.00 0.00 H new ATOM 0 HA SER A 2 -10.325 0.681 8.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.455 3.685 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.747 2.527 7.833 1.00 0.00 H new ATOM 0 HG SER A 2 -11.924 3.618 9.875 1.00 0.00 H new ATOM 19 N SER A 3 -9.918 0.719 6.037 1.00 0.00 N ATOM 20 CA SER A 3 -9.533 0.583 4.643 1.00 0.00 C ATOM 21 C SER A 3 -10.456 1.427 3.761 1.00 0.00 C ATOM 22 O SER A 3 -10.047 1.897 2.700 1.00 0.00 O ATOM 23 CB SER A 3 -9.570 -0.882 4.201 1.00 0.00 C ATOM 24 OG SER A 3 -10.768 -1.196 3.496 1.00 0.00 O ATOM 0 H SER A 3 -10.663 0.090 6.337 1.00 0.00 H new ATOM 0 HA SER A 3 -8.509 0.941 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.710 -1.091 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.484 -1.527 5.075 1.00 0.00 H new ATOM 0 HG SER A 3 -10.753 -2.139 3.229 1.00 0.00 H new ATOM 30 N GLY A 4 -11.683 1.593 4.232 1.00 0.00 N ATOM 31 CA GLY A 4 -12.666 2.372 3.499 1.00 0.00 C ATOM 32 C GLY A 4 -12.579 3.854 3.870 1.00 0.00 C ATOM 33 O GLY A 4 -12.329 4.699 3.012 1.00 0.00 O ATOM 0 H GLY A 4 -12.019 1.201 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.505 2.252 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.667 1.998 3.715 1.00 0.00 H new ATOM 37 N SER A 5 -12.789 4.124 5.150 1.00 0.00 N ATOM 38 CA SER A 5 -12.737 5.489 5.645 1.00 0.00 C ATOM 39 C SER A 5 -11.469 6.180 5.142 1.00 0.00 C ATOM 40 O SER A 5 -11.543 7.197 4.454 1.00 0.00 O ATOM 41 CB SER A 5 -12.790 5.523 7.174 1.00 0.00 C ATOM 42 OG SER A 5 -13.967 4.901 7.682 1.00 0.00 O ATOM 0 H SER A 5 -12.995 3.421 5.859 1.00 0.00 H new ATOM 0 HA SER A 5 -13.608 6.023 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.911 5.021 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.751 6.558 7.515 1.00 0.00 H new ATOM 0 HG SER A 5 -13.962 4.942 8.661 1.00 0.00 H new ATOM 48 N SER A 6 -10.334 5.601 5.505 1.00 0.00 N ATOM 49 CA SER A 6 -9.051 6.149 5.099 1.00 0.00 C ATOM 50 C SER A 6 -9.097 6.553 3.624 1.00 0.00 C ATOM 51 O SER A 6 -8.849 7.709 3.285 1.00 0.00 O ATOM 52 CB SER A 6 -7.922 5.144 5.339 1.00 0.00 C ATOM 53 OG SER A 6 -7.623 4.998 6.724 1.00 0.00 O ATOM 0 H SER A 6 -10.276 4.758 6.076 1.00 0.00 H new ATOM 0 HA SER A 6 -8.850 7.033 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.204 4.176 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.028 5.469 4.807 1.00 0.00 H new ATOM 0 HG SER A 6 -7.814 4.079 7.005 1.00 0.00 H new ATOM 59 N GLY A 7 -9.417 5.577 2.786 1.00 0.00 N ATOM 60 CA GLY A 7 -9.500 5.817 1.356 1.00 0.00 C ATOM 61 C GLY A 7 -10.411 7.007 1.050 1.00 0.00 C ATOM 62 O GLY A 7 -10.166 7.755 0.105 1.00 0.00 O ATOM 0 H GLY A 7 -9.622 4.619 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.503 6.006 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.880 4.926 0.856 1.00 0.00 H new ATOM 66 N ALA A 8 -11.444 7.146 1.869 1.00 0.00 N ATOM 67 CA ALA A 8 -12.393 8.233 1.698 1.00 0.00 C ATOM 68 C ALA A 8 -11.834 9.500 2.349 1.00 0.00 C ATOM 69 O ALA A 8 -12.255 10.608 2.022 1.00 0.00 O ATOM 70 CB ALA A 8 -13.746 7.826 2.283 1.00 0.00 C ATOM 0 H ALA A 8 -11.644 6.524 2.652 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.546 8.446 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.458 8.641 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.113 6.939 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.632 7.607 3.345 1.00 0.00 H new ATOM 76 N SER A 9 -10.893 9.293 3.259 1.00 0.00 N ATOM 77 CA SER A 9 -10.271 10.405 3.958 1.00 0.00 C ATOM 78 C SER A 9 -9.142 10.992 3.109 1.00 0.00 C ATOM 79 O SER A 9 -8.862 12.187 3.184 1.00 0.00 O ATOM 80 CB SER A 9 -9.737 9.967 5.323 1.00 0.00 C ATOM 81 OG SER A 9 -10.451 8.848 5.843 1.00 0.00 O ATOM 0 H SER A 9 -10.546 8.372 3.528 1.00 0.00 H new ATOM 0 HA SER A 9 -11.028 11.172 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.681 9.713 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.807 10.799 6.024 1.00 0.00 H new ATOM 0 HG SER A 9 -11.237 8.673 5.285 1.00 0.00 H new ATOM 87 N LEU A 10 -8.524 10.124 2.322 1.00 0.00 N ATOM 88 CA LEU A 10 -7.432 10.542 1.460 1.00 0.00 C ATOM 89 C LEU A 10 -7.914 11.665 0.540 1.00 0.00 C ATOM 90 O LEU A 10 -7.123 12.502 0.108 1.00 0.00 O ATOM 91 CB LEU A 10 -6.851 9.341 0.711 1.00 0.00 C ATOM 92 CG LEU A 10 -6.195 8.263 1.577 1.00 0.00 C ATOM 93 CD1 LEU A 10 -5.406 7.274 0.716 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.327 8.891 2.669 1.00 0.00 C ATOM 0 H LEU A 10 -8.759 9.133 2.263 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.612 10.946 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.650 8.878 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.112 9.706 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.983 7.699 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.950 6.518 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.079 6.791 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.627 7.807 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.872 8.104 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.544 9.494 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.945 9.523 3.307 1.00 0.00 H new ATOM 106 N LEU A 11 -9.211 11.648 0.268 1.00 0.00 N ATOM 107 CA LEU A 11 -9.808 12.655 -0.592 1.00 0.00 C ATOM 108 C LEU A 11 -9.706 14.024 0.085 1.00 0.00 C ATOM 109 O LEU A 11 -9.492 15.035 -0.581 1.00 0.00 O ATOM 110 CB LEU A 11 -11.238 12.260 -0.967 1.00 0.00 C ATOM 111 CG LEU A 11 -11.394 10.928 -1.703 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.665 10.202 -1.259 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.351 11.132 -3.219 1.00 0.00 C ATOM 0 H LEU A 11 -9.865 10.953 0.628 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.263 12.723 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.834 12.221 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.660 13.048 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.550 10.291 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.752 9.258 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.617 10.006 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.534 10.824 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.464 10.170 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.162 11.795 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.396 11.577 -3.499 1.00 0.00 H new ATOM 125 N ALA A 12 -9.864 14.011 1.400 1.00 0.00 N ATOM 126 CA ALA A 12 -9.792 15.238 2.175 1.00 0.00 C ATOM 127 C ALA A 12 -8.339 15.497 2.578 1.00 0.00 C ATOM 128 O ALA A 12 -7.843 16.614 2.442 1.00 0.00 O ATOM 129 CB ALA A 12 -10.724 15.135 3.384 1.00 0.00 C ATOM 0 H ALA A 12 -10.042 13.170 1.949 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.125 16.088 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.669 16.056 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.748 14.982 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.420 14.294 4.007 1.00 0.00 H new ATOM 135 N ARG A 13 -7.698 14.446 3.068 1.00 0.00 N ATOM 136 CA ARG A 13 -6.312 14.545 3.492 1.00 0.00 C ATOM 137 C ARG A 13 -5.446 15.090 2.355 1.00 0.00 C ATOM 138 O ARG A 13 -4.718 16.065 2.536 1.00 0.00 O ATOM 139 CB ARG A 13 -5.771 13.183 3.929 1.00 0.00 C ATOM 140 CG ARG A 13 -5.608 13.118 5.449 1.00 0.00 C ATOM 141 CD ARG A 13 -4.129 13.101 5.842 1.00 0.00 C ATOM 142 NE ARG A 13 -3.974 13.538 7.247 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.813 13.933 7.787 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.699 13.950 7.043 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.767 14.312 9.072 1.00 0.00 N ATOM 0 H ARG A 13 -8.113 13.521 3.181 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.273 15.228 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.449 12.396 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.810 12.999 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.100 13.975 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.100 12.225 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.723 12.097 5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.562 13.758 5.183 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.803 13.539 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.734 13.662 6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.815 14.251 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.615 14.300 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.884 14.613 9.484 1.00 0.00 H new ATOM 159 N TYR A 14 -5.554 14.437 1.207 1.00 0.00 N ATOM 160 CA TYR A 14 -4.790 14.844 0.040 1.00 0.00 C ATOM 161 C TYR A 14 -5.716 15.275 -1.099 1.00 0.00 C ATOM 162 O TYR A 14 -6.871 14.855 -1.158 1.00 0.00 O ATOM 163 CB TYR A 14 -4.001 13.609 -0.399 1.00 0.00 C ATOM 164 CG TYR A 14 -2.929 13.168 0.598 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.244 12.273 1.601 1.00 0.00 C ATOM 166 CD2 TYR A 14 -1.645 13.664 0.496 1.00 0.00 C ATOM 167 CE1 TYR A 14 -2.235 11.858 2.540 1.00 0.00 C ATOM 168 CE2 TYR A 14 -0.635 13.249 1.435 1.00 0.00 C ATOM 169 CZ TYR A 14 -0.980 12.367 2.410 1.00 0.00 C ATOM 170 OH TYR A 14 -0.026 11.975 3.297 1.00 0.00 O ATOM 0 H TYR A 14 -6.159 13.629 1.060 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.145 15.689 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.696 12.784 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.527 13.816 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.248 11.884 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.398 14.364 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.469 11.159 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.373 13.630 1.366 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.335 11.180 3.780 1.00 0.00 H new ATOM 180 N PRO A 15 -5.161 16.130 -1.999 1.00 0.00 N ATOM 181 CA PRO A 15 -5.924 16.623 -3.133 1.00 0.00 C ATOM 182 C PRO A 15 -6.076 15.540 -4.203 1.00 0.00 C ATOM 183 O PRO A 15 -5.521 14.450 -4.073 1.00 0.00 O ATOM 184 CB PRO A 15 -5.158 17.840 -3.624 1.00 0.00 C ATOM 185 CG PRO A 15 -3.758 17.712 -3.046 1.00 0.00 C ATOM 186 CD PRO A 15 -3.797 16.649 -1.961 1.00 0.00 C ATOM 0 HA PRO A 15 -6.946 16.894 -2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.130 17.870 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.635 18.762 -3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.047 17.436 -3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.426 18.665 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.068 15.861 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.561 17.071 -0.984 1.00 0.00 H new ATOM 194 N PRO A 16 -6.851 15.887 -5.266 1.00 0.00 N ATOM 195 CA PRO A 16 -7.083 14.957 -6.358 1.00 0.00 C ATOM 196 C PRO A 16 -5.848 14.843 -7.253 1.00 0.00 C ATOM 197 O PRO A 16 -5.742 13.918 -8.056 1.00 0.00 O ATOM 198 CB PRO A 16 -8.298 15.505 -7.089 1.00 0.00 C ATOM 199 CG PRO A 16 -8.418 16.960 -6.666 1.00 0.00 C ATOM 200 CD PRO A 16 -7.525 17.168 -5.454 1.00 0.00 C ATOM 0 HA PRO A 16 -7.267 13.940 -6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.175 15.421 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.196 14.947 -6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.117 17.620 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.453 17.203 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.808 17.971 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.108 17.441 -4.575 1.00 0.00 H new ATOM 208 N GLU A 17 -4.944 15.798 -7.084 1.00 0.00 N ATOM 209 CA GLU A 17 -3.720 15.816 -7.866 1.00 0.00 C ATOM 210 C GLU A 17 -2.664 14.917 -7.220 1.00 0.00 C ATOM 211 O GLU A 17 -1.576 14.740 -7.767 1.00 0.00 O ATOM 212 CB GLU A 17 -3.197 17.244 -8.032 1.00 0.00 C ATOM 213 CG GLU A 17 -2.461 17.708 -6.774 1.00 0.00 C ATOM 214 CD GLU A 17 -2.281 19.228 -6.773 1.00 0.00 C ATOM 215 OE1 GLU A 17 -3.214 19.910 -7.250 1.00 0.00 O ATOM 216 OE2 GLU A 17 -1.216 19.673 -6.294 1.00 0.00 O ATOM 0 H GLU A 17 -5.035 16.564 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.941 15.427 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.525 17.292 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.028 17.918 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.019 17.404 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.487 17.223 -6.719 1.00 0.00 H new ATOM 223 N LYS A 18 -3.021 14.372 -6.067 1.00 0.00 N ATOM 224 CA LYS A 18 -2.118 13.496 -5.341 1.00 0.00 C ATOM 225 C LYS A 18 -2.871 12.233 -4.916 1.00 0.00 C ATOM 226 O LYS A 18 -2.349 11.423 -4.152 1.00 0.00 O ATOM 227 CB LYS A 18 -1.466 14.244 -4.177 1.00 0.00 C ATOM 228 CG LYS A 18 -0.921 15.599 -4.632 1.00 0.00 C ATOM 229 CD LYS A 18 0.095 16.147 -3.629 1.00 0.00 C ATOM 230 CE LYS A 18 -0.103 15.517 -2.248 1.00 0.00 C ATOM 231 NZ LYS A 18 0.543 16.344 -1.204 1.00 0.00 N ATOM 0 H LYS A 18 -3.924 14.520 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.298 13.177 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.195 14.390 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.657 13.643 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.452 15.496 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.743 16.306 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.106 15.945 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.007 17.230 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.168 15.419 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.318 14.512 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.399 15.903 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.562 16.416 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.122 17.295 -1.205 1.00 0.00 H new ATOM 245 N LEU A 19 -4.086 12.106 -5.430 1.00 0.00 N ATOM 246 CA LEU A 19 -4.915 10.956 -5.113 1.00 0.00 C ATOM 247 C LEU A 19 -4.626 9.833 -6.111 1.00 0.00 C ATOM 248 O LEU A 19 -4.892 9.974 -7.304 1.00 0.00 O ATOM 249 CB LEU A 19 -6.390 11.360 -5.053 1.00 0.00 C ATOM 250 CG LEU A 19 -6.934 11.709 -3.666 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.432 12.013 -3.725 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.612 10.605 -2.657 1.00 0.00 C ATOM 0 H LEU A 19 -4.516 12.780 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.672 10.573 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.538 12.220 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.987 10.544 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.435 12.615 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.793 12.258 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.606 12.858 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.966 11.140 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.010 10.878 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.065 9.669 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.531 10.480 -2.587 1.00 0.00 H new ATOM 264 N PHE A 20 -4.084 8.744 -5.586 1.00 0.00 N ATOM 265 CA PHE A 20 -3.756 7.597 -6.417 1.00 0.00 C ATOM 266 C PHE A 20 -4.253 6.298 -5.779 1.00 0.00 C ATOM 267 O PHE A 20 -4.227 6.152 -4.558 1.00 0.00 O ATOM 268 CB PHE A 20 -2.230 7.547 -6.526 1.00 0.00 C ATOM 269 CG PHE A 20 -1.647 8.525 -7.547 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.519 9.842 -7.232 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.257 8.077 -8.771 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.977 10.749 -8.180 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.715 8.985 -9.719 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.587 10.302 -9.404 1.00 0.00 C ATOM 0 H PHE A 20 -3.864 8.631 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.231 7.696 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.799 7.759 -5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.928 6.535 -6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.830 10.198 -6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.360 7.031 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.874 11.794 -7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.404 8.630 -10.690 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.176 10.993 -10.125 1.00 0.00 H new ATOM 284 N GLN A 21 -4.694 5.388 -6.635 1.00 0.00 N ATOM 285 CA GLN A 21 -5.196 4.106 -6.171 1.00 0.00 C ATOM 286 C GLN A 21 -4.162 3.007 -6.424 1.00 0.00 C ATOM 287 O GLN A 21 -3.211 3.207 -7.178 1.00 0.00 O ATOM 288 CB GLN A 21 -6.531 3.766 -6.837 1.00 0.00 C ATOM 289 CG GLN A 21 -7.447 3.008 -5.874 1.00 0.00 C ATOM 290 CD GLN A 21 -8.871 2.919 -6.427 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.093 2.775 -7.618 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.819 3.012 -5.499 1.00 0.00 N ATOM 0 H GLN A 21 -4.714 5.513 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.370 4.174 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.021 4.682 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.354 3.162 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.055 2.005 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.459 3.511 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.563 3.132 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.802 2.964 -5.767 1.00 0.00 H new ATOM 301 N ALA A 22 -4.382 1.871 -5.779 1.00 0.00 N ATOM 302 CA ALA A 22 -3.481 0.741 -5.925 1.00 0.00 C ATOM 303 C ALA A 22 -3.857 -0.047 -7.182 1.00 0.00 C ATOM 304 O ALA A 22 -4.834 -0.794 -7.182 1.00 0.00 O ATOM 305 CB ALA A 22 -3.533 -0.120 -4.661 1.00 0.00 C ATOM 0 H ALA A 22 -5.171 1.709 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.453 1.083 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.857 -0.968 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.230 0.477 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.549 -0.483 -4.510 1.00 0.00 H new ATOM 311 N GLU A 23 -3.061 0.148 -8.223 1.00 0.00 N ATOM 312 CA GLU A 23 -3.297 -0.535 -9.484 1.00 0.00 C ATOM 313 C GLU A 23 -3.590 -2.017 -9.238 1.00 0.00 C ATOM 314 O GLU A 23 -4.505 -2.580 -9.837 1.00 0.00 O ATOM 315 CB GLU A 23 -2.110 -0.360 -10.433 1.00 0.00 C ATOM 316 CG GLU A 23 -2.121 1.029 -11.075 1.00 0.00 C ATOM 317 CD GLU A 23 -2.658 0.966 -12.507 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.814 0.515 -12.660 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.901 1.371 -13.415 1.00 0.00 O ATOM 0 H GLU A 23 -2.252 0.769 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.169 -0.087 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.178 -0.504 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.145 -1.124 -11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.737 1.704 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.111 1.440 -11.079 1.00 0.00 H new ATOM 326 N ARG A 24 -2.795 -2.606 -8.357 1.00 0.00 N ATOM 327 CA ARG A 24 -2.957 -4.011 -8.025 1.00 0.00 C ATOM 328 C ARG A 24 -2.550 -4.264 -6.572 1.00 0.00 C ATOM 329 O ARG A 24 -1.976 -3.390 -5.924 1.00 0.00 O ATOM 330 CB ARG A 24 -2.114 -4.895 -8.946 1.00 0.00 C ATOM 331 CG ARG A 24 -0.656 -4.431 -8.967 1.00 0.00 C ATOM 332 CD ARG A 24 0.286 -5.597 -9.270 1.00 0.00 C ATOM 333 NE ARG A 24 1.304 -5.182 -10.261 1.00 0.00 N ATOM 334 CZ ARG A 24 1.071 -5.070 -11.575 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.146 -5.342 -12.065 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.055 -4.686 -12.400 1.00 0.00 N ATOM 0 H ARG A 24 -2.037 -2.136 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.008 -4.265 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.165 -5.930 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.523 -4.868 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.529 -3.652 -9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.397 -3.990 -8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.773 -5.929 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.283 -6.444 -9.654 1.00 0.00 H new ATOM 0 HE ARG A 24 2.242 -4.968 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.895 -5.634 -11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.324 -5.257 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.982 -4.479 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.877 -4.601 -13.401 1.00 0.00 H new ATOM 350 N ASN A 25 -2.862 -5.463 -6.103 1.00 0.00 N ATOM 351 CA ASN A 25 -2.535 -5.842 -4.739 1.00 0.00 C ATOM 352 C ASN A 25 -1.016 -5.810 -4.556 1.00 0.00 C ATOM 353 O ASN A 25 -0.328 -6.775 -4.885 1.00 0.00 O ATOM 354 CB ASN A 25 -3.019 -7.260 -4.430 1.00 0.00 C ATOM 355 CG ASN A 25 -4.467 -7.456 -4.885 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.769 -7.533 -6.065 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.342 -7.533 -3.887 1.00 0.00 N ATOM 0 H ASN A 25 -3.338 -6.185 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.027 -5.139 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.376 -7.985 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.942 -7.449 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.334 -7.664 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.022 -7.461 -2.921 1.00 0.00 H new ATOM 364 N PHE A 26 -0.539 -4.692 -4.030 1.00 0.00 N ATOM 365 CA PHE A 26 0.885 -4.522 -3.799 1.00 0.00 C ATOM 366 C PHE A 26 1.350 -5.354 -2.602 1.00 0.00 C ATOM 367 O PHE A 26 0.648 -5.446 -1.596 1.00 0.00 O ATOM 368 CB PHE A 26 1.116 -3.040 -3.495 1.00 0.00 C ATOM 369 CG PHE A 26 2.580 -2.677 -3.242 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.131 -2.888 -2.016 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.331 -2.143 -4.242 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.490 -2.551 -1.781 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.691 -1.806 -4.007 1.00 0.00 C ATOM 374 CZ PHE A 26 5.241 -2.017 -2.781 1.00 0.00 C ATOM 0 H PHE A 26 -1.114 -3.895 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 26 1.445 -4.850 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.744 -2.446 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.527 -2.763 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.535 -3.312 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.894 -1.975 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.927 -2.719 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.288 -1.383 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.275 -1.760 -2.602 1.00 0.00 H new ATOM 384 N ASN A 27 2.529 -5.939 -2.751 1.00 0.00 N ATOM 385 CA ASN A 27 3.095 -6.760 -1.694 1.00 0.00 C ATOM 386 C ASN A 27 4.397 -6.125 -1.202 1.00 0.00 C ATOM 387 O ASN A 27 5.301 -5.860 -1.994 1.00 0.00 O ATOM 388 CB ASN A 27 3.419 -8.166 -2.203 1.00 0.00 C ATOM 389 CG ASN A 27 2.140 -8.975 -2.431 1.00 0.00 C ATOM 390 OD1 ASN A 27 1.032 -8.497 -2.250 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.354 -10.223 -2.836 1.00 0.00 N ATOM 0 H ASN A 27 3.108 -5.861 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 27 2.362 -6.827 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.982 -8.099 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.055 -8.680 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.565 -10.844 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.308 -10.560 -2.968 1.00 0.00 H new ATOM 398 N ALA A 28 4.452 -5.898 0.102 1.00 0.00 N ATOM 399 CA ALA A 28 5.628 -5.299 0.709 1.00 0.00 C ATOM 400 C ALA A 28 6.857 -6.148 0.378 1.00 0.00 C ATOM 401 O ALA A 28 6.871 -7.351 0.632 1.00 0.00 O ATOM 402 CB ALA A 28 5.408 -5.156 2.217 1.00 0.00 C ATOM 0 H ALA A 28 3.700 -6.118 0.755 1.00 0.00 H new ATOM 0 HA ALA A 28 5.799 -4.300 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.290 -4.707 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.542 -4.520 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.235 -6.139 2.654 1.00 0.00 H new ATOM 408 N ALA A 29 7.858 -5.488 -0.185 1.00 0.00 N ATOM 409 CA ALA A 29 9.088 -6.167 -0.555 1.00 0.00 C ATOM 410 C ALA A 29 10.197 -5.771 0.422 1.00 0.00 C ATOM 411 O ALA A 29 10.950 -6.623 0.891 1.00 0.00 O ATOM 412 CB ALA A 29 9.441 -5.832 -2.005 1.00 0.00 C ATOM 0 H ALA A 29 7.842 -4.490 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 29 8.963 -7.248 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.364 -6.342 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.635 -6.160 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.577 -4.755 -2.107 1.00 0.00 H new ATOM 418 N GLN A 30 10.263 -4.477 0.699 1.00 0.00 N ATOM 419 CA GLN A 30 11.268 -3.957 1.611 1.00 0.00 C ATOM 420 C GLN A 30 10.645 -3.668 2.978 1.00 0.00 C ATOM 421 O GLN A 30 9.467 -3.944 3.198 1.00 0.00 O ATOM 422 CB GLN A 30 11.935 -2.705 1.037 1.00 0.00 C ATOM 423 CG GLN A 30 13.022 -3.077 0.026 1.00 0.00 C ATOM 424 CD GLN A 30 12.408 -3.473 -1.318 1.00 0.00 C ATOM 425 OE1 GLN A 30 12.404 -4.628 -1.711 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.892 -2.454 -1.999 1.00 0.00 N ATOM 0 H GLN A 30 9.637 -3.773 0.308 1.00 0.00 H new ATOM 0 HA GLN A 30 12.041 -4.714 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.185 -2.077 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.371 -2.118 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.698 -2.233 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.618 -3.902 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.929 -1.511 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.459 -2.615 -2.909 1.00 0.00 H new ATOM 435 N ASP A 31 11.464 -3.117 3.862 1.00 0.00 N ATOM 436 CA ASP A 31 11.009 -2.789 5.202 1.00 0.00 C ATOM 437 C ASP A 31 10.275 -1.446 5.171 1.00 0.00 C ATOM 438 O ASP A 31 9.545 -1.113 6.103 1.00 0.00 O ATOM 439 CB ASP A 31 12.187 -2.662 6.169 1.00 0.00 C ATOM 440 CG ASP A 31 11.816 -2.721 7.652 1.00 0.00 C ATOM 441 OD1 ASP A 31 10.688 -3.178 7.937 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.669 -2.309 8.467 1.00 0.00 O ATOM 0 H ASP A 31 12.441 -2.889 3.676 1.00 0.00 H new ATOM 0 HA ASP A 31 10.351 -3.589 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.900 -3.459 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.697 -1.718 5.975 1.00 0.00 H new ATOM 447 N LEU A 32 10.495 -0.712 4.090 1.00 0.00 N ATOM 448 CA LEU A 32 9.864 0.586 3.926 1.00 0.00 C ATOM 449 C LEU A 32 8.562 0.420 3.140 1.00 0.00 C ATOM 450 O LEU A 32 7.709 1.306 3.151 1.00 0.00 O ATOM 451 CB LEU A 32 10.841 1.580 3.295 1.00 0.00 C ATOM 452 CG LEU A 32 12.002 2.035 4.182 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.813 3.139 3.500 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.502 2.460 5.564 1.00 0.00 C ATOM 0 H LEU A 32 11.102 -0.992 3.319 1.00 0.00 H new ATOM 0 HA LEU A 32 9.599 1.006 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.254 1.130 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.281 2.462 2.983 1.00 0.00 H new ATOM 0 HG LEU A 32 12.672 1.188 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.632 3.444 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.218 2.765 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.168 3.995 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.347 2.779 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.799 3.286 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.004 1.618 6.045 1.00 0.00 H new ATOM 466 N ASP A 33 8.451 -0.721 2.476 1.00 0.00 N ATOM 467 CA ASP A 33 7.267 -1.015 1.686 1.00 0.00 C ATOM 468 C ASP A 33 6.139 -1.467 2.615 1.00 0.00 C ATOM 469 O ASP A 33 6.393 -1.942 3.721 1.00 0.00 O ATOM 470 CB ASP A 33 7.537 -2.141 0.687 1.00 0.00 C ATOM 471 CG ASP A 33 8.448 -1.764 -0.483 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.381 -0.967 -0.242 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.191 -2.281 -1.592 1.00 0.00 O ATOM 0 H ASP A 33 9.161 -1.453 2.469 1.00 0.00 H new ATOM 0 HA ASP A 33 6.990 -0.111 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.984 -2.980 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.584 -2.489 0.288 1.00 0.00 H new ATOM 478 N VAL A 34 4.916 -1.303 2.131 1.00 0.00 N ATOM 479 CA VAL A 34 3.748 -1.688 2.904 1.00 0.00 C ATOM 480 C VAL A 34 2.705 -2.307 1.971 1.00 0.00 C ATOM 481 O VAL A 34 2.461 -1.794 0.880 1.00 0.00 O ATOM 482 CB VAL A 34 3.214 -0.483 3.682 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.359 0.320 4.302 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.342 0.402 2.789 1.00 0.00 C ATOM 0 H VAL A 34 4.709 -0.909 1.213 1.00 0.00 H new ATOM 0 HA VAL A 34 4.012 -2.444 3.643 1.00 0.00 H new ATOM 0 HB VAL A 34 2.590 -0.857 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.952 1.171 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.921 -0.316 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.021 0.679 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.975 1.251 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.932 0.763 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.496 -0.177 2.417 1.00 0.00 H new ATOM 494 N SER A 35 2.118 -3.401 2.434 1.00 0.00 N ATOM 495 CA SER A 35 1.108 -4.096 1.654 1.00 0.00 C ATOM 496 C SER A 35 -0.075 -3.164 1.382 1.00 0.00 C ATOM 497 O SER A 35 -0.387 -2.296 2.196 1.00 0.00 O ATOM 498 CB SER A 35 0.632 -5.361 2.371 1.00 0.00 C ATOM 499 OG SER A 35 1.721 -6.183 2.782 1.00 0.00 O ATOM 0 H SER A 35 2.323 -3.823 3.340 1.00 0.00 H new ATOM 0 HA SER A 35 1.554 -4.395 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.039 -5.083 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.021 -5.929 1.709 1.00 0.00 H new ATOM 0 HG SER A 35 1.376 -6.979 3.237 1.00 0.00 H new ATOM 505 N LEU A 36 -0.700 -3.374 0.233 1.00 0.00 N ATOM 506 CA LEU A 36 -1.841 -2.564 -0.158 1.00 0.00 C ATOM 507 C LEU A 36 -2.778 -3.398 -1.033 1.00 0.00 C ATOM 508 O LEU A 36 -2.331 -4.289 -1.754 1.00 0.00 O ATOM 509 CB LEU A 36 -1.375 -1.265 -0.819 1.00 0.00 C ATOM 510 CG LEU A 36 -0.700 -0.248 0.103 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.230 0.978 -0.684 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.620 0.135 1.264 1.00 0.00 C ATOM 0 H LEU A 36 -0.438 -4.094 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.411 -2.261 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.680 -1.517 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.237 -0.788 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 36 0.186 -0.714 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.246 1.685 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.485 0.669 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.086 1.454 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.116 0.859 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.537 0.574 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.863 -0.755 1.844 1.00 0.00 H new ATOM 524 N LEU A 37 -4.061 -3.080 -0.941 1.00 0.00 N ATOM 525 CA LEU A 37 -5.065 -3.789 -1.716 1.00 0.00 C ATOM 526 C LEU A 37 -5.330 -3.029 -3.018 1.00 0.00 C ATOM 527 O LEU A 37 -5.337 -1.799 -3.032 1.00 0.00 O ATOM 528 CB LEU A 37 -6.322 -4.026 -0.876 1.00 0.00 C ATOM 529 CG LEU A 37 -6.323 -5.289 -0.012 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.599 -5.378 0.826 1.00 0.00 C ATOM 531 CD2 LEU A 37 -6.110 -6.539 -0.868 1.00 0.00 C ATOM 0 H LEU A 37 -4.428 -2.341 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.703 -4.779 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.468 -3.164 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.180 -4.068 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.485 -5.229 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.575 -6.284 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.667 -4.508 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.466 -5.405 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.115 -7.422 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.911 -6.618 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.152 -6.469 -1.383 1.00 0.00 H new ATOM 543 N GLU A 38 -5.541 -3.793 -4.079 1.00 0.00 N ATOM 544 CA GLU A 38 -5.805 -3.207 -5.382 1.00 0.00 C ATOM 545 C GLU A 38 -6.925 -2.170 -5.281 1.00 0.00 C ATOM 546 O GLU A 38 -7.048 -1.297 -6.139 1.00 0.00 O ATOM 547 CB GLU A 38 -6.149 -4.287 -6.410 1.00 0.00 C ATOM 548 CG GLU A 38 -7.149 -5.293 -5.834 1.00 0.00 C ATOM 549 CD GLU A 38 -7.820 -6.098 -6.948 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.244 -7.143 -7.319 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.894 -5.650 -7.404 1.00 0.00 O ATOM 0 H GLU A 38 -5.535 -4.813 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.900 -2.704 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.567 -3.824 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.241 -4.806 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.637 -5.969 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.907 -4.766 -5.254 1.00 0.00 H new ATOM 558 N GLY A 39 -7.714 -2.299 -4.224 1.00 0.00 N ATOM 559 CA GLY A 39 -8.819 -1.384 -3.999 1.00 0.00 C ATOM 560 C GLY A 39 -8.411 -0.253 -3.053 1.00 0.00 C ATOM 561 O GLY A 39 -8.989 0.832 -3.091 1.00 0.00 O ATOM 0 H GLY A 39 -7.609 -3.024 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.149 -0.966 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.665 -1.927 -3.579 1.00 0.00 H new ATOM 565 N ASP A 40 -7.417 -0.545 -2.227 1.00 0.00 N ATOM 566 CA ASP A 40 -6.925 0.435 -1.273 1.00 0.00 C ATOM 567 C ASP A 40 -6.419 1.666 -2.028 1.00 0.00 C ATOM 568 O ASP A 40 -5.867 1.545 -3.120 1.00 0.00 O ATOM 569 CB ASP A 40 -5.761 -0.130 -0.456 1.00 0.00 C ATOM 570 CG ASP A 40 -6.169 -0.992 0.740 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.371 -0.955 1.083 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.271 -1.669 1.285 1.00 0.00 O ATOM 0 H ASP A 40 -6.939 -1.446 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.744 0.695 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.129 -0.725 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.153 0.700 -0.096 1.00 0.00 H new ATOM 577 N LEU A 41 -6.627 2.822 -1.415 1.00 0.00 N ATOM 578 CA LEU A 41 -6.199 4.074 -2.016 1.00 0.00 C ATOM 579 C LEU A 41 -5.070 4.678 -1.177 1.00 0.00 C ATOM 580 O LEU A 41 -4.974 4.416 0.021 1.00 0.00 O ATOM 581 CB LEU A 41 -7.392 5.012 -2.206 1.00 0.00 C ATOM 582 CG LEU A 41 -7.178 6.184 -3.166 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.730 5.862 -4.557 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.772 7.474 -2.599 1.00 0.00 C ATOM 0 H LEU A 41 -7.086 2.918 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.797 3.900 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.237 4.424 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.672 5.413 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.105 6.344 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.565 6.712 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.220 4.986 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.799 5.659 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.606 8.291 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.843 7.343 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.292 7.709 -1.649 1.00 0.00 H new ATOM 596 N VAL A 42 -4.244 5.474 -1.840 1.00 0.00 N ATOM 597 CA VAL A 42 -3.126 6.117 -1.170 1.00 0.00 C ATOM 598 C VAL A 42 -3.016 7.566 -1.649 1.00 0.00 C ATOM 599 O VAL A 42 -3.566 7.923 -2.689 1.00 0.00 O ATOM 600 CB VAL A 42 -1.846 5.311 -1.401 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.028 3.856 -0.966 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.400 5.396 -2.862 1.00 0.00 C ATOM 0 H VAL A 42 -4.326 5.688 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.288 6.143 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.060 5.748 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.104 3.306 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.275 3.822 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.835 3.402 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.488 4.814 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.184 4.998 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.209 6.437 -3.124 1.00 0.00 H new ATOM 612 N GLY A 43 -2.300 8.361 -0.866 1.00 0.00 N ATOM 613 CA GLY A 43 -2.111 9.763 -1.197 1.00 0.00 C ATOM 614 C GLY A 43 -0.624 10.098 -1.328 1.00 0.00 C ATOM 615 O GLY A 43 0.075 10.242 -0.326 1.00 0.00 O ATOM 0 H GLY A 43 -1.844 8.061 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.623 9.992 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.562 10.387 -0.425 1.00 0.00 H new ATOM 619 N VAL A 44 -0.183 10.214 -2.573 1.00 0.00 N ATOM 620 CA VAL A 44 1.208 10.530 -2.848 1.00 0.00 C ATOM 621 C VAL A 44 1.698 11.573 -1.841 1.00 0.00 C ATOM 622 O VAL A 44 1.004 12.550 -1.567 1.00 0.00 O ATOM 623 CB VAL A 44 1.364 10.983 -4.301 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.653 11.785 -4.490 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.316 9.788 -5.256 1.00 0.00 C ATOM 0 H VAL A 44 -0.765 10.095 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 44 1.832 9.644 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 44 0.525 11.637 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.739 12.095 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.630 12.667 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.509 11.166 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.429 10.138 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.125 9.098 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.359 9.276 -5.150 1.00 0.00 H new ATOM 635 N ILE A 45 2.891 11.328 -1.318 1.00 0.00 N ATOM 636 CA ILE A 45 3.482 12.233 -0.347 1.00 0.00 C ATOM 637 C ILE A 45 4.695 12.925 -0.974 1.00 0.00 C ATOM 638 O ILE A 45 4.767 14.152 -1.004 1.00 0.00 O ATOM 639 CB ILE A 45 3.801 11.492 0.952 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.518 11.114 1.697 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.753 12.307 1.829 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.837 10.366 2.993 1.00 0.00 C ATOM 0 H ILE A 45 3.464 10.516 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 45 2.773 13.015 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 45 4.312 10.563 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.946 12.014 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.892 10.491 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.963 11.757 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.684 12.483 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.291 13.263 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.908 10.109 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.388 9.454 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.442 11.001 3.640 1.00 0.00 H new ATOM 654 N LYS A 46 5.617 12.107 -1.459 1.00 0.00 N ATOM 655 CA LYS A 46 6.823 12.624 -2.083 1.00 0.00 C ATOM 656 C LYS A 46 7.028 11.936 -3.434 1.00 0.00 C ATOM 657 O LYS A 46 6.803 10.734 -3.563 1.00 0.00 O ATOM 658 CB LYS A 46 8.017 12.488 -1.136 1.00 0.00 C ATOM 659 CG LYS A 46 8.405 13.845 -0.544 1.00 0.00 C ATOM 660 CD LYS A 46 9.505 13.690 0.507 1.00 0.00 C ATOM 661 CE LYS A 46 8.910 13.576 1.912 1.00 0.00 C ATOM 662 NZ LYS A 46 9.848 12.876 2.818 1.00 0.00 N ATOM 0 H LYS A 46 5.553 11.089 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 46 6.722 13.691 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.771 11.794 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.866 12.066 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.747 14.508 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.530 14.313 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.100 12.804 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.179 14.546 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.692 14.570 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.964 13.035 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.428 12.808 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.036 11.921 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.740 13.407 2.872 1.00 0.00 H new ATOM 676 N LYS A 47 7.453 12.729 -4.407 1.00 0.00 N ATOM 677 CA LYS A 47 7.691 12.212 -5.744 1.00 0.00 C ATOM 678 C LYS A 47 9.187 11.948 -5.925 1.00 0.00 C ATOM 679 O LYS A 47 9.707 12.044 -7.036 1.00 0.00 O ATOM 680 CB LYS A 47 7.100 13.152 -6.796 1.00 0.00 C ATOM 681 CG LYS A 47 5.570 13.118 -6.765 1.00 0.00 C ATOM 682 CD LYS A 47 4.981 13.835 -7.981 1.00 0.00 C ATOM 683 CE LYS A 47 3.530 13.412 -8.217 1.00 0.00 C ATOM 684 NZ LYS A 47 2.773 14.500 -8.875 1.00 0.00 N ATOM 0 H LYS A 47 7.639 13.726 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 47 7.180 11.259 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.448 14.169 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.454 12.864 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.226 12.084 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.211 13.590 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.029 14.913 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.578 13.610 -8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.503 12.516 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.060 13.157 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.790 14.196 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.784 15.346 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.212 14.724 -9.791 1.00 0.00 H new ATOM 698 N LYS A 48 9.836 11.622 -4.818 1.00 0.00 N ATOM 699 CA LYS A 48 11.262 11.345 -4.841 1.00 0.00 C ATOM 700 C LYS A 48 11.715 10.906 -3.446 1.00 0.00 C ATOM 701 O LYS A 48 11.388 11.553 -2.452 1.00 0.00 O ATOM 702 CB LYS A 48 12.034 12.548 -5.387 1.00 0.00 C ATOM 703 CG LYS A 48 12.883 12.151 -6.597 1.00 0.00 C ATOM 704 CD LYS A 48 14.254 12.829 -6.550 1.00 0.00 C ATOM 705 CE LYS A 48 14.113 14.352 -6.575 1.00 0.00 C ATOM 706 NZ LYS A 48 15.370 14.996 -6.131 1.00 0.00 N ATOM 0 H LYS A 48 9.401 11.543 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 48 11.478 10.521 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.335 13.335 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.675 12.958 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.009 11.069 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.367 12.430 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.784 12.524 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.855 12.502 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.864 14.684 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.292 14.658 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.257 16.030 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.591 14.693 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.145 14.718 -6.766 1.00 0.00 H new ATOM 720 N ASP A 49 12.459 9.811 -3.418 1.00 0.00 N ATOM 721 CA ASP A 49 12.960 9.279 -2.162 1.00 0.00 C ATOM 722 C ASP A 49 14.128 10.140 -1.677 1.00 0.00 C ATOM 723 O ASP A 49 14.753 10.846 -2.467 1.00 0.00 O ATOM 724 CB ASP A 49 13.468 7.846 -2.334 1.00 0.00 C ATOM 725 CG ASP A 49 12.413 6.836 -2.788 1.00 0.00 C ATOM 726 OD1 ASP A 49 11.296 7.291 -3.117 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.747 5.631 -2.796 1.00 0.00 O ATOM 0 H ASP A 49 12.727 9.277 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 49 12.141 9.287 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.282 7.850 -3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.888 7.509 -1.386 1.00 0.00 H new ATOM 732 N PRO A 50 14.395 10.051 -0.347 1.00 0.00 N ATOM 733 CA PRO A 50 15.477 10.813 0.252 1.00 0.00 C ATOM 734 C PRO A 50 16.836 10.203 -0.096 1.00 0.00 C ATOM 735 O PRO A 50 17.611 9.854 0.793 1.00 0.00 O ATOM 736 CB PRO A 50 15.187 10.803 1.744 1.00 0.00 C ATOM 737 CG PRO A 50 14.219 9.653 1.973 1.00 0.00 C ATOM 738 CD PRO A 50 13.676 9.225 0.619 1.00 0.00 C ATOM 0 HA PRO A 50 15.529 11.835 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.102 10.663 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.751 11.750 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.724 8.820 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.406 9.963 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.850 8.164 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.600 9.387 0.555 1.00 0.00 H new ATOM 746 N MET A 51 17.085 10.093 -1.393 1.00 0.00 N ATOM 747 CA MET A 51 18.337 9.531 -1.870 1.00 0.00 C ATOM 748 C MET A 51 18.546 9.840 -3.354 1.00 0.00 C ATOM 749 O MET A 51 19.608 10.321 -3.748 1.00 0.00 O ATOM 750 CB MET A 51 18.329 8.015 -1.660 1.00 0.00 C ATOM 751 CG MET A 51 18.862 7.652 -0.273 1.00 0.00 C ATOM 752 SD MET A 51 20.028 6.306 -0.400 1.00 0.00 S ATOM 753 CE MET A 51 19.276 5.137 0.719 1.00 0.00 C ATOM 0 H MET A 51 16.441 10.384 -2.128 1.00 0.00 H new ATOM 0 HA MET A 51 19.154 9.981 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.314 7.633 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.939 7.535 -2.425 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.343 8.519 0.179 1.00 0.00 H new ATOM 0 HG3 MET A 51 18.037 7.369 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 51 19.881 4.231 0.759 1.00 0.00 H new ATOM 0 HE2 MET A 51 19.213 5.575 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 51 18.274 4.889 0.367 1.00 0.00 H new ATOM 763 N GLY A 52 17.517 9.551 -4.137 1.00 0.00 N ATOM 764 CA GLY A 52 17.575 9.791 -5.569 1.00 0.00 C ATOM 765 C GLY A 52 16.895 8.661 -6.343 1.00 0.00 C ATOM 766 O GLY A 52 17.551 7.922 -7.075 1.00 0.00 O ATOM 0 H GLY A 52 16.638 9.153 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.090 10.739 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.615 9.878 -5.885 1.00 0.00 H new ATOM 770 N SER A 53 15.587 8.561 -6.154 1.00 0.00 N ATOM 771 CA SER A 53 14.810 7.532 -6.826 1.00 0.00 C ATOM 772 C SER A 53 13.403 8.052 -7.125 1.00 0.00 C ATOM 773 O SER A 53 12.632 8.329 -6.208 1.00 0.00 O ATOM 774 CB SER A 53 14.738 6.258 -5.982 1.00 0.00 C ATOM 775 OG SER A 53 15.975 5.550 -5.977 1.00 0.00 O ATOM 0 H SER A 53 15.046 9.175 -5.546 1.00 0.00 H new ATOM 0 HA SER A 53 15.306 7.285 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.464 6.516 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.951 5.611 -6.369 1.00 0.00 H new ATOM 0 HG SER A 53 16.657 6.079 -6.441 1.00 0.00 H new ATOM 781 N GLN A 54 13.110 8.167 -8.412 1.00 0.00 N ATOM 782 CA GLN A 54 11.809 8.648 -8.844 1.00 0.00 C ATOM 783 C GLN A 54 10.867 7.470 -9.104 1.00 0.00 C ATOM 784 O GLN A 54 9.649 7.616 -9.022 1.00 0.00 O ATOM 785 CB GLN A 54 11.936 9.533 -10.085 1.00 0.00 C ATOM 786 CG GLN A 54 12.735 8.827 -11.183 1.00 0.00 C ATOM 787 CD GLN A 54 12.007 8.905 -12.527 1.00 0.00 C ATOM 788 OE1 GLN A 54 12.398 9.622 -13.433 1.00 0.00 O ATOM 789 NE2 GLN A 54 10.930 8.128 -12.604 1.00 0.00 N ATOM 0 H GLN A 54 13.752 7.935 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 54 11.385 9.257 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.944 9.787 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.426 10.470 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.720 9.284 -11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.891 7.783 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.659 7.552 -11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.376 8.108 -13.460 1.00 0.00 H new ATOM 798 N ASN A 55 11.468 6.330 -9.411 1.00 0.00 N ATOM 799 CA ASN A 55 10.698 5.128 -9.683 1.00 0.00 C ATOM 800 C ASN A 55 9.872 4.767 -8.447 1.00 0.00 C ATOM 801 O ASN A 55 8.812 4.153 -8.563 1.00 0.00 O ATOM 802 CB ASN A 55 11.617 3.946 -10.000 1.00 0.00 C ATOM 803 CG ASN A 55 12.396 4.189 -11.294 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.406 4.871 -11.323 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.870 3.593 -12.361 1.00 0.00 N ATOM 0 H ASN A 55 12.479 6.213 -9.477 1.00 0.00 H new ATOM 0 HA ASN A 55 10.055 5.325 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.313 3.791 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.025 3.035 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.316 3.694 -13.273 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.021 3.035 -12.267 1.00 0.00 H new ATOM 812 N ARG A 56 10.387 5.162 -7.293 1.00 0.00 N ATOM 813 CA ARG A 56 9.710 4.887 -6.037 1.00 0.00 C ATOM 814 C ARG A 56 9.282 6.195 -5.368 1.00 0.00 C ATOM 815 O ARG A 56 10.097 7.098 -5.185 1.00 0.00 O ATOM 816 CB ARG A 56 10.615 4.106 -5.083 1.00 0.00 C ATOM 817 CG ARG A 56 9.793 3.398 -4.004 1.00 0.00 C ATOM 818 CD ARG A 56 10.520 2.154 -3.488 1.00 0.00 C ATOM 819 NE ARG A 56 11.365 2.508 -2.326 1.00 0.00 N ATOM 820 CZ ARG A 56 12.618 2.971 -2.421 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.180 3.140 -3.625 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.310 3.266 -1.312 1.00 0.00 N ATOM 0 H ARG A 56 11.266 5.671 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 56 8.830 4.284 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.194 3.372 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.328 4.785 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.605 4.083 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.822 3.114 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.795 1.391 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.136 1.728 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 56 10.968 2.392 -1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.654 2.916 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.134 3.493 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.882 3.138 -0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.264 3.619 -1.385 1.00 0.00 H new ATOM 836 N TRP A 57 8.005 6.255 -5.020 1.00 0.00 N ATOM 837 CA TRP A 57 7.460 7.437 -4.375 1.00 0.00 C ATOM 838 C TRP A 57 6.920 7.021 -3.005 1.00 0.00 C ATOM 839 O TRP A 57 6.691 5.838 -2.757 1.00 0.00 O ATOM 840 CB TRP A 57 6.402 8.104 -5.256 1.00 0.00 C ATOM 841 CG TRP A 57 6.979 8.868 -6.450 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.264 9.145 -6.709 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.233 9.446 -7.542 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.401 9.856 -7.884 1.00 0.00 N ATOM 845 CE2 TRP A 57 7.127 10.045 -8.406 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.850 9.462 -7.791 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.735 10.704 -9.578 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.475 10.125 -8.966 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.362 10.733 -9.847 1.00 0.00 C ATOM 0 H TRP A 57 7.332 5.504 -5.173 1.00 0.00 H new ATOM 0 HA TRP A 57 8.235 8.189 -4.231 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.716 7.341 -5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.817 8.792 -4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 57 9.089 8.849 -6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.276 10.183 -8.294 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.133 9.000 -7.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.454 11.165 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.423 10.167 -9.205 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.993 11.225 -10.735 1.00 0.00 H new ATOM 860 N LEU A 58 6.733 8.016 -2.151 1.00 0.00 N ATOM 861 CA LEU A 58 6.225 7.769 -0.812 1.00 0.00 C ATOM 862 C LEU A 58 4.739 8.129 -0.761 1.00 0.00 C ATOM 863 O LEU A 58 4.359 9.258 -1.067 1.00 0.00 O ATOM 864 CB LEU A 58 7.072 8.505 0.227 1.00 0.00 C ATOM 865 CG LEU A 58 6.555 8.462 1.666 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.774 7.081 2.287 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.183 9.575 2.508 1.00 0.00 C ATOM 0 H LEU A 58 6.924 8.996 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 58 6.306 6.711 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.078 8.085 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.158 9.548 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 58 5.480 8.640 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.398 7.078 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.242 6.331 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.839 6.849 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.798 9.522 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.266 9.453 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.932 10.544 2.076 1.00 0.00 H new ATOM 879 N ILE A 59 3.938 7.148 -0.372 1.00 0.00 N ATOM 880 CA ILE A 59 2.502 7.347 -0.277 1.00 0.00 C ATOM 881 C ILE A 59 2.028 6.952 1.124 1.00 0.00 C ATOM 882 O ILE A 59 2.743 6.267 1.854 1.00 0.00 O ATOM 883 CB ILE A 59 1.782 6.602 -1.402 1.00 0.00 C ATOM 884 CG1 ILE A 59 2.039 5.096 -1.315 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.165 7.171 -2.770 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.389 4.500 -0.064 1.00 0.00 C ATOM 0 H ILE A 59 4.256 6.213 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 59 2.254 8.400 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 59 0.709 6.753 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.644 4.604 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.112 4.907 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.639 6.623 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.889 8.224 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.240 7.071 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.587 3.429 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.804 4.977 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.313 4.669 -0.097 1.00 0.00 H new ATOM 898 N ASP A 60 0.827 7.400 1.456 1.00 0.00 N ATOM 899 CA ASP A 60 0.249 7.102 2.755 1.00 0.00 C ATOM 900 C ASP A 60 -0.966 6.191 2.572 1.00 0.00 C ATOM 901 O ASP A 60 -1.907 6.541 1.861 1.00 0.00 O ATOM 902 CB ASP A 60 -0.219 8.379 3.456 1.00 0.00 C ATOM 903 CG ASP A 60 0.183 8.494 4.928 1.00 0.00 C ATOM 904 OD1 ASP A 60 -0.288 7.642 5.712 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.952 9.430 5.235 1.00 0.00 O ATOM 0 H ASP A 60 0.237 7.968 0.847 1.00 0.00 H new ATOM 0 HA ASP A 60 1.015 6.618 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.181 9.238 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.305 8.436 3.386 1.00 0.00 H new ATOM 910 N ASN A 61 -0.907 5.040 3.226 1.00 0.00 N ATOM 911 CA ASN A 61 -1.991 4.076 3.144 1.00 0.00 C ATOM 912 C ASN A 61 -2.976 4.325 4.287 1.00 0.00 C ATOM 913 O ASN A 61 -3.512 3.381 4.866 1.00 0.00 O ATOM 914 CB ASN A 61 -1.466 2.645 3.274 1.00 0.00 C ATOM 915 CG ASN A 61 -0.895 2.396 4.672 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.459 3.302 5.363 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.923 1.120 5.048 1.00 0.00 N ATOM 0 H ASN A 61 -0.125 4.753 3.815 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.476 4.195 2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.272 1.939 3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.694 2.467 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.565 0.850 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.302 0.411 4.420 1.00 0.00 H new ATOM 924 N GLY A 62 -3.186 5.600 4.578 1.00 0.00 N ATOM 925 CA GLY A 62 -4.098 5.985 5.642 1.00 0.00 C ATOM 926 C GLY A 62 -3.834 5.172 6.911 1.00 0.00 C ATOM 927 O GLY A 62 -4.759 4.877 7.666 1.00 0.00 O ATOM 0 H GLY A 62 -2.740 6.380 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.985 7.048 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.127 5.834 5.316 1.00 0.00 H new ATOM 931 N VAL A 63 -2.568 4.832 7.105 1.00 0.00 N ATOM 932 CA VAL A 63 -2.172 4.058 8.270 1.00 0.00 C ATOM 933 C VAL A 63 -0.711 4.364 8.606 1.00 0.00 C ATOM 934 O VAL A 63 -0.382 4.655 9.755 1.00 0.00 O ATOM 935 CB VAL A 63 -2.430 2.571 8.022 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.903 1.723 9.182 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.917 2.305 7.779 1.00 0.00 C ATOM 0 H VAL A 63 -1.804 5.078 6.476 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.771 4.337 9.137 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.887 2.282 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.099 0.670 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.829 1.879 9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.405 2.016 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.073 1.240 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.490 2.618 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.249 2.867 6.906 1.00 0.00 H new ATOM 947 N THR A 64 0.127 4.288 7.582 1.00 0.00 N ATOM 948 CA THR A 64 1.546 4.552 7.755 1.00 0.00 C ATOM 949 C THR A 64 2.145 5.111 6.463 1.00 0.00 C ATOM 950 O THR A 64 1.414 5.498 5.552 1.00 0.00 O ATOM 951 CB THR A 64 2.214 3.259 8.225 1.00 0.00 C ATOM 952 OG1 THR A 64 3.554 3.647 8.516 1.00 0.00 O ATOM 953 CG2 THR A 64 2.359 2.232 7.100 1.00 0.00 C ATOM 0 H THR A 64 -0.149 4.048 6.630 1.00 0.00 H new ATOM 0 HA THR A 64 1.717 5.316 8.513 1.00 0.00 H new ATOM 0 HB THR A 64 1.633 2.825 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.059 2.868 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.839 1.333 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.373 1.978 6.710 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.968 2.652 6.300 1.00 0.00 H new ATOM 961 N LYS A 65 3.469 5.135 6.425 1.00 0.00 N ATOM 962 CA LYS A 65 4.175 5.640 5.259 1.00 0.00 C ATOM 963 C LYS A 65 4.939 4.493 4.595 1.00 0.00 C ATOM 964 O LYS A 65 5.789 3.863 5.222 1.00 0.00 O ATOM 965 CB LYS A 65 5.060 6.828 5.642 1.00 0.00 C ATOM 966 CG LYS A 65 4.256 8.130 5.649 1.00 0.00 C ATOM 967 CD LYS A 65 4.889 9.160 6.586 1.00 0.00 C ATOM 968 CE LYS A 65 4.222 10.528 6.428 1.00 0.00 C ATOM 969 NZ LYS A 65 4.449 11.357 7.633 1.00 0.00 N ATOM 0 H LYS A 65 4.072 4.813 7.182 1.00 0.00 H new ATOM 0 HA LYS A 65 3.469 6.022 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.495 6.660 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.888 6.911 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.205 8.535 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.232 7.928 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.796 8.823 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.955 9.244 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.622 11.035 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.152 10.401 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.990 12.282 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.046 10.879 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.470 11.493 7.773 1.00 0.00 H new ATOM 983 N GLY A 66 4.609 4.257 3.333 1.00 0.00 N ATOM 984 CA GLY A 66 5.254 3.197 2.577 1.00 0.00 C ATOM 985 C GLY A 66 5.787 3.722 1.243 1.00 0.00 C ATOM 986 O GLY A 66 5.460 4.835 0.834 1.00 0.00 O ATOM 0 H GLY A 66 3.904 4.782 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.073 2.776 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.544 2.390 2.397 1.00 0.00 H new ATOM 990 N PHE A 67 6.600 2.896 0.601 1.00 0.00 N ATOM 991 CA PHE A 67 7.182 3.263 -0.679 1.00 0.00 C ATOM 992 C PHE A 67 6.800 2.255 -1.765 1.00 0.00 C ATOM 993 O PHE A 67 7.047 1.059 -1.621 1.00 0.00 O ATOM 994 CB PHE A 67 8.702 3.249 -0.500 1.00 0.00 C ATOM 995 CG PHE A 67 9.263 4.515 0.151 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.290 4.629 1.506 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.735 5.527 -0.626 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.811 5.804 2.109 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.256 6.702 -0.023 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.283 6.816 1.333 1.00 0.00 C ATOM 0 H PHE A 67 6.870 1.974 0.943 1.00 0.00 H new ATOM 0 HA PHE A 67 6.817 4.243 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.978 2.387 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.171 3.115 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.915 3.826 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.713 5.437 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.832 5.894 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.631 7.505 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.679 7.710 1.792 1.00 0.00 H new ATOM 1010 N VAL A 68 6.202 2.776 -2.827 1.00 0.00 N ATOM 1011 CA VAL A 68 5.783 1.936 -3.936 1.00 0.00 C ATOM 1012 C VAL A 68 6.059 2.664 -5.253 1.00 0.00 C ATOM 1013 O VAL A 68 6.226 3.883 -5.270 1.00 0.00 O ATOM 1014 CB VAL A 68 4.315 1.541 -3.768 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.126 0.645 -2.542 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.420 2.779 -3.685 1.00 0.00 C ATOM 0 H VAL A 68 5.998 3.769 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 68 6.355 1.008 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 68 4.018 0.972 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.074 0.378 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.721 -0.261 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.449 1.179 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.382 2.470 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.718 3.387 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.522 3.364 -4.599 1.00 0.00 H new ATOM 1026 N TYR A 69 6.098 1.887 -6.325 1.00 0.00 N ATOM 1027 CA TYR A 69 6.351 2.442 -7.644 1.00 0.00 C ATOM 1028 C TYR A 69 5.056 2.947 -8.284 1.00 0.00 C ATOM 1029 O TYR A 69 4.076 2.208 -8.376 1.00 0.00 O ATOM 1030 CB TYR A 69 6.907 1.292 -8.486 1.00 0.00 C ATOM 1031 CG TYR A 69 8.028 0.506 -7.803 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.114 1.173 -7.274 1.00 0.00 C ATOM 1033 CD2 TYR A 69 7.953 -0.869 -7.717 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.169 0.433 -6.631 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.008 -1.609 -7.074 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.064 -0.921 -6.563 1.00 0.00 C ATOM 1037 OH TYR A 69 11.060 -1.620 -5.955 1.00 0.00 O ATOM 0 H TYR A 69 5.959 0.877 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 69 7.040 3.284 -7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.094 0.608 -8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.280 1.693 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.173 2.249 -7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.103 -1.390 -8.132 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.024 0.942 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.962 -2.685 -6.999 1.00 0.00 H new ATOM 0 HH TYR A 69 10.850 -2.577 -5.980 1.00 0.00 H new ATOM 1047 N SER A 70 5.093 4.201 -8.709 1.00 0.00 N ATOM 1048 CA SER A 70 3.934 4.813 -9.337 1.00 0.00 C ATOM 1049 C SER A 70 3.238 3.801 -10.249 1.00 0.00 C ATOM 1050 O SER A 70 2.024 3.863 -10.438 1.00 0.00 O ATOM 1051 CB SER A 70 4.332 6.058 -10.132 1.00 0.00 C ATOM 1052 OG SER A 70 5.496 5.836 -10.924 1.00 0.00 O ATOM 0 H SER A 70 5.907 4.810 -8.631 1.00 0.00 H new ATOM 0 HA SER A 70 3.243 5.121 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.506 6.356 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.513 6.884 -9.445 1.00 0.00 H new ATOM 0 HG SER A 70 5.717 6.653 -11.418 1.00 0.00 H new ATOM 1058 N SER A 71 4.036 2.893 -10.790 1.00 0.00 N ATOM 1059 CA SER A 71 3.512 1.869 -11.677 1.00 0.00 C ATOM 1060 C SER A 71 2.393 1.093 -10.978 1.00 0.00 C ATOM 1061 O SER A 71 1.317 0.905 -11.543 1.00 0.00 O ATOM 1062 CB SER A 71 4.617 0.913 -12.130 1.00 0.00 C ATOM 1063 OG SER A 71 4.904 1.048 -13.519 1.00 0.00 O ATOM 0 H SER A 71 5.042 2.845 -10.631 1.00 0.00 H new ATOM 0 HA SER A 71 3.108 2.359 -12.563 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.521 1.105 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.317 -0.114 -11.920 1.00 0.00 H new ATOM 0 HG SER A 71 5.616 0.422 -13.768 1.00 0.00 H new ATOM 1069 N PHE A 72 2.686 0.664 -9.760 1.00 0.00 N ATOM 1070 CA PHE A 72 1.719 -0.087 -8.978 1.00 0.00 C ATOM 1071 C PHE A 72 0.555 0.806 -8.543 1.00 0.00 C ATOM 1072 O PHE A 72 -0.432 0.320 -7.991 1.00 0.00 O ATOM 1073 CB PHE A 72 2.448 -0.596 -7.733 1.00 0.00 C ATOM 1074 CG PHE A 72 3.151 -1.940 -7.930 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.471 -3.100 -7.727 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.457 -1.976 -8.309 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.123 -4.348 -7.910 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.110 -3.224 -8.492 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.429 -4.383 -8.289 1.00 0.00 C ATOM 0 H PHE A 72 3.580 0.822 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 72 1.313 -0.904 -9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.185 0.147 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.731 -0.689 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.434 -3.072 -7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.998 -1.055 -8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.582 -5.269 -7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.147 -3.252 -8.792 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.925 -5.332 -8.429 1.00 0.00 H new ATOM 1089 N LEU A 73 0.708 2.095 -8.807 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.318 3.060 -8.449 1.00 0.00 C ATOM 1091 C LEU A 73 -0.900 3.674 -9.724 1.00 0.00 C ATOM 1092 O LEU A 73 -0.332 3.525 -10.805 1.00 0.00 O ATOM 1093 CB LEU A 73 0.237 4.093 -7.466 1.00 0.00 C ATOM 1094 CG LEU A 73 0.820 3.536 -6.166 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.637 4.601 -5.432 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.278 2.945 -5.281 1.00 0.00 C ATOM 0 H LEU A 73 1.527 2.494 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.139 2.568 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.013 4.667 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.562 4.791 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 73 1.502 2.723 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.040 4.180 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.457 4.933 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.997 5.450 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.164 2.556 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.003 3.720 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.779 2.136 -5.814 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.026 4.352 -9.555 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.691 4.990 -10.678 1.00 0.00 C ATOM 1110 C LYS A 74 -3.303 6.315 -10.218 1.00 0.00 C ATOM 1111 O LYS A 74 -3.690 6.455 -9.059 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.703 4.034 -11.315 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.720 3.545 -10.282 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.112 4.108 -10.574 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.057 3.008 -11.062 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.110 3.578 -11.931 1.00 0.00 N ATOM 0 H LYS A 74 -2.494 4.473 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.972 5.226 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.221 4.538 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.180 3.181 -11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.756 2.456 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.404 3.847 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.518 4.568 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.040 4.892 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.494 2.253 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.513 2.507 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.743 2.818 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.658 4.282 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.670 4.035 -12.755 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.372 7.279 -11.175 1.00 0.00 N ATOM 1131 CA PRO A 75 -3.930 8.588 -10.880 1.00 0.00 C ATOM 1132 C PRO A 75 -5.455 8.525 -10.784 1.00 0.00 C ATOM 1133 O PRO A 75 -6.142 8.441 -11.801 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.442 9.486 -12.005 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.020 8.554 -13.129 1.00 0.00 C ATOM 1136 CD PRO A 75 -2.923 7.149 -12.558 1.00 0.00 C ATOM 0 HA PRO A 75 -3.609 8.974 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.230 10.163 -12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.607 10.105 -11.676 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.744 8.586 -13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.061 8.865 -13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.550 6.452 -13.114 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.902 6.770 -12.609 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.941 8.567 -9.552 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.373 8.516 -9.310 1.00 0.00 C ATOM 1146 C TYR A 76 -8.076 9.729 -9.923 1.00 0.00 C ATOM 1147 O TYR A 76 -7.425 10.622 -10.461 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.545 8.556 -7.790 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.990 8.370 -7.322 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.664 7.201 -7.612 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.620 9.372 -6.612 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -11.024 7.026 -7.172 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.980 9.196 -6.172 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.614 8.032 -6.473 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.899 7.867 -6.058 1.00 0.00 O ATOM 0 H TYR A 76 -5.368 8.636 -8.711 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.806 7.621 -9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.926 7.777 -7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.173 9.511 -7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.172 6.418 -8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.093 10.288 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.563 6.116 -7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.485 9.972 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.113 8.542 -5.380 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.397 9.720 -9.821 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.196 10.808 -10.359 1.00 0.00 C ATOM 1167 C ASN A 77 -11.656 10.616 -9.944 1.00 0.00 C ATOM 1168 O ASN A 77 -12.419 9.946 -10.638 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.138 10.831 -11.887 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.123 11.864 -12.382 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.287 13.062 -12.217 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -8.068 11.335 -12.995 1.00 0.00 N ATOM 0 H ASN A 77 -9.934 8.977 -9.374 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.797 11.744 -9.969 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.867 9.843 -12.259 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.124 11.064 -12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.334 11.941 -13.361 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.993 10.323 -13.099 1.00 0.00 H new ATOM 1179 N PRO A 78 -12.011 11.233 -8.785 1.00 0.00 N ATOM 1180 CA PRO A 78 -13.366 11.136 -8.270 1.00 0.00 C ATOM 1181 C PRO A 78 -14.322 12.021 -9.073 1.00 0.00 C ATOM 1182 O PRO A 78 -15.511 12.092 -8.768 1.00 0.00 O ATOM 1183 CB PRO A 78 -13.262 11.546 -6.810 1.00 0.00 C ATOM 1184 CG PRO A 78 -11.948 12.299 -6.681 1.00 0.00 C ATOM 1185 CD PRO A 78 -11.134 12.035 -7.937 1.00 0.00 C ATOM 0 HA PRO A 78 -13.779 10.131 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.103 12.176 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.278 10.673 -6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.130 13.367 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.404 11.968 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.851 12.966 -8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.211 11.503 -7.706 1.00 0.00 H new ATOM 1193 N ARG A 79 -13.766 12.673 -10.083 1.00 0.00 N ATOM 1194 CA ARG A 79 -14.554 13.550 -10.932 1.00 0.00 C ATOM 1195 C ARG A 79 -15.936 12.944 -11.184 1.00 0.00 C ATOM 1196 O ARG A 79 -16.045 11.790 -11.596 1.00 0.00 O ATOM 1197 CB ARG A 79 -13.858 13.791 -12.273 1.00 0.00 C ATOM 1198 CG ARG A 79 -13.077 15.107 -12.257 1.00 0.00 C ATOM 1199 CD ARG A 79 -11.597 14.862 -11.955 1.00 0.00 C ATOM 1200 NE ARG A 79 -11.180 15.664 -10.783 1.00 0.00 N ATOM 1201 CZ ARG A 79 -9.914 16.024 -10.532 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -8.934 15.656 -11.368 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -9.628 16.752 -9.444 1.00 0.00 N ATOM 0 H ARG A 79 -12.779 12.612 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.660 14.504 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.181 12.965 -12.489 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.599 13.813 -13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.178 15.606 -13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.499 15.776 -11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.428 13.803 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.992 15.128 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.901 15.961 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.151 15.102 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.970 15.930 -11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.374 17.032 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.664 17.026 -9.253 1.00 0.00 H new ATOM 1217 N ARG A 80 -16.956 13.749 -10.926 1.00 0.00 N ATOM 1218 CA ARG A 80 -18.326 13.306 -11.120 1.00 0.00 C ATOM 1219 C ARG A 80 -18.631 13.161 -12.613 1.00 0.00 C ATOM 1220 O ARG A 80 -18.974 12.075 -13.078 1.00 0.00 O ATOM 1221 CB ARG A 80 -19.317 14.291 -10.497 1.00 0.00 C ATOM 1222 CG ARG A 80 -20.104 13.633 -9.361 1.00 0.00 C ATOM 1223 CD ARG A 80 -21.557 13.389 -9.771 1.00 0.00 C ATOM 1224 NE ARG A 80 -22.224 12.519 -8.776 1.00 0.00 N ATOM 1225 CZ ARG A 80 -22.634 12.935 -7.570 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -22.447 14.210 -7.201 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -23.229 12.076 -6.731 1.00 0.00 N ATOM 0 H ARG A 80 -16.861 14.705 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.435 12.339 -10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -18.781 15.160 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -20.006 14.651 -11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -19.635 12.687 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -20.074 14.269 -8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -22.086 14.339 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -21.592 12.923 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 80 -22.381 11.542 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -21.992 14.864 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -22.759 14.526 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.370 11.105 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -23.541 12.393 -5.813 1.00 0.00 H new ATOM 1241 N SER A 81 -18.496 14.272 -13.322 1.00 0.00 N ATOM 1242 CA SER A 81 -18.753 14.283 -14.752 1.00 0.00 C ATOM 1243 C SER A 81 -17.693 15.123 -15.467 1.00 0.00 C ATOM 1244 O SER A 81 -16.932 14.606 -16.283 1.00 0.00 O ATOM 1245 CB SER A 81 -20.152 14.821 -15.056 1.00 0.00 C ATOM 1246 OG SER A 81 -21.012 13.810 -15.574 1.00 0.00 O ATOM 0 H SER A 81 -18.212 15.171 -12.933 1.00 0.00 H new ATOM 0 HA SER A 81 -18.701 13.257 -15.117 1.00 0.00 H new ATOM 0 HB2 SER A 81 -20.587 15.235 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.078 15.637 -15.775 1.00 0.00 H new ATOM 0 HG SER A 81 -21.896 14.193 -15.754 1.00 0.00 H new ATOM 1252 N HIS A 82 -17.679 16.406 -15.136 1.00 0.00 N ATOM 1253 CA HIS A 82 -16.725 17.323 -15.737 1.00 0.00 C ATOM 1254 C HIS A 82 -15.364 16.637 -15.865 1.00 0.00 C ATOM 1255 O HIS A 82 -15.081 15.673 -15.156 1.00 0.00 O ATOM 1256 CB HIS A 82 -16.658 18.632 -14.946 1.00 0.00 C ATOM 1257 CG HIS A 82 -16.809 18.456 -13.454 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -17.274 19.462 -12.624 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -16.555 17.382 -12.652 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -17.292 19.003 -11.381 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -16.846 17.714 -11.401 1.00 0.00 N ATOM 0 H HIS A 82 -18.313 16.832 -14.460 1.00 0.00 H new ATOM 0 HA HIS A 82 -17.054 17.589 -16.741 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -15.704 19.119 -15.149 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -17.440 19.301 -15.304 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -16.180 16.424 -12.980 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -17.605 19.553 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -16.752 17.106 -10.588 1.00 0.00 H new ATOM 1269 N SER A 83 -14.556 17.162 -16.775 1.00 0.00 N ATOM 1270 CA SER A 83 -13.231 16.612 -17.006 1.00 0.00 C ATOM 1271 C SER A 83 -13.326 15.106 -17.258 1.00 0.00 C ATOM 1272 O SER A 83 -13.135 14.306 -16.343 1.00 0.00 O ATOM 1273 CB SER A 83 -12.304 16.894 -15.822 1.00 0.00 C ATOM 1274 OG SER A 83 -11.748 18.205 -15.880 1.00 0.00 O ATOM 0 H SER A 83 -14.794 17.962 -17.361 1.00 0.00 H new ATOM 0 HA SER A 83 -12.809 17.095 -17.887 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.859 16.776 -14.891 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.499 16.159 -15.809 1.00 0.00 H new ATOM 0 HG SER A 83 -11.164 18.347 -15.106 1.00 0.00 H new ATOM 1280 N ASP A 84 -13.622 14.764 -18.504 1.00 0.00 N ATOM 1281 CA ASP A 84 -13.745 13.368 -18.888 1.00 0.00 C ATOM 1282 C ASP A 84 -13.397 13.219 -20.370 1.00 0.00 C ATOM 1283 O ASP A 84 -13.444 14.191 -21.123 1.00 0.00 O ATOM 1284 CB ASP A 84 -15.175 12.865 -18.684 1.00 0.00 C ATOM 1285 CG ASP A 84 -16.250 13.648 -19.441 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -15.949 14.069 -20.579 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -17.347 13.807 -18.865 1.00 0.00 O ATOM 0 H ASP A 84 -13.780 15.430 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.066 12.785 -18.265 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.224 11.820 -18.991 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.407 12.896 -17.619 1.00 0.00 H new ATOM 1292 N ALA A 85 -13.056 11.995 -20.745 1.00 0.00 N ATOM 1293 CA ALA A 85 -12.701 11.706 -22.124 1.00 0.00 C ATOM 1294 C ALA A 85 -13.649 10.641 -22.678 1.00 0.00 C ATOM 1295 O ALA A 85 -13.328 9.453 -22.668 1.00 0.00 O ATOM 1296 CB ALA A 85 -11.235 11.275 -22.194 1.00 0.00 C ATOM 0 H ALA A 85 -13.018 11.192 -20.118 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.809 12.597 -22.743 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.969 11.058 -23.228 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.601 12.078 -21.817 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.089 10.382 -21.587 1.00 0.00 H new ATOM 1302 N SER A 86 -14.798 11.104 -23.148 1.00 0.00 N ATOM 1303 CA SER A 86 -15.795 10.206 -23.706 1.00 0.00 C ATOM 1304 C SER A 86 -16.808 10.998 -24.534 1.00 0.00 C ATOM 1305 O SER A 86 -16.850 12.225 -24.463 1.00 0.00 O ATOM 1306 CB SER A 86 -16.508 9.422 -22.602 1.00 0.00 C ATOM 1307 OG SER A 86 -17.096 8.221 -23.095 1.00 0.00 O ATOM 0 H SER A 86 -15.061 12.090 -23.154 1.00 0.00 H new ATOM 0 HA SER A 86 -15.288 9.491 -24.353 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.797 9.180 -21.812 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.281 10.047 -22.155 1.00 0.00 H new ATOM 0 HG SER A 86 -17.540 7.748 -22.360 1.00 0.00 H new ATOM 1313 N SER A 87 -17.600 10.263 -25.302 1.00 0.00 N ATOM 1314 CA SER A 87 -18.610 10.882 -26.143 1.00 0.00 C ATOM 1315 C SER A 87 -19.431 9.804 -26.853 1.00 0.00 C ATOM 1316 O SER A 87 -18.960 9.188 -27.808 1.00 0.00 O ATOM 1317 CB SER A 87 -17.973 11.824 -27.166 1.00 0.00 C ATOM 1318 OG SER A 87 -18.912 12.764 -27.683 1.00 0.00 O ATOM 0 H SER A 87 -17.562 9.245 -25.359 1.00 0.00 H new ATOM 0 HA SER A 87 -19.270 11.473 -25.507 1.00 0.00 H new ATOM 0 HB2 SER A 87 -17.144 12.358 -26.701 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.556 11.240 -27.986 1.00 0.00 H new ATOM 0 HG SER A 87 -18.467 13.348 -28.331 1.00 0.00 H new ATOM 1324 N GLY A 88 -20.646 9.609 -26.360 1.00 0.00 N ATOM 1325 CA GLY A 88 -21.537 8.616 -26.935 1.00 0.00 C ATOM 1326 C GLY A 88 -22.252 7.821 -25.841 1.00 0.00 C ATOM 1327 O GLY A 88 -21.756 7.716 -24.721 1.00 0.00 O ATOM 0 H GLY A 88 -21.034 10.122 -25.568 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -22.273 9.108 -27.572 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.969 7.937 -27.570 1.00 0.00 H new ATOM 1331 N PRO A 89 -23.438 7.269 -26.214 1.00 0.00 N ATOM 1332 CA PRO A 89 -24.226 6.487 -25.277 1.00 0.00 C ATOM 1333 C PRO A 89 -23.610 5.103 -25.062 1.00 0.00 C ATOM 1334 O PRO A 89 -22.577 4.782 -25.648 1.00 0.00 O ATOM 1335 CB PRO A 89 -25.618 6.429 -25.886 1.00 0.00 C ATOM 1336 CG PRO A 89 -25.444 6.779 -27.355 1.00 0.00 C ATOM 1337 CD PRO A 89 -24.056 7.373 -27.532 1.00 0.00 C ATOM 0 HA PRO A 89 -24.258 6.931 -24.282 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -26.054 5.437 -25.770 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -26.290 7.132 -25.394 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -25.561 5.890 -27.975 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -26.207 7.491 -27.671 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -23.484 6.826 -28.282 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -24.108 8.410 -27.864 1.00 0.00 H new ATOM 1345 N SER A 90 -24.269 4.321 -24.219 1.00 0.00 N ATOM 1346 CA SER A 90 -23.798 2.980 -23.920 1.00 0.00 C ATOM 1347 C SER A 90 -24.970 1.996 -23.946 1.00 0.00 C ATOM 1348 O SER A 90 -26.124 2.396 -23.803 1.00 0.00 O ATOM 1349 CB SER A 90 -23.096 2.933 -22.561 1.00 0.00 C ATOM 1350 OG SER A 90 -22.126 1.891 -22.497 1.00 0.00 O ATOM 0 H SER A 90 -25.125 4.591 -23.734 1.00 0.00 H new ATOM 0 HA SER A 90 -23.074 2.694 -24.683 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.612 3.891 -22.369 1.00 0.00 H new ATOM 0 HB3 SER A 90 -23.837 2.787 -21.775 1.00 0.00 H new ATOM 0 HG SER A 90 -21.699 1.895 -21.615 1.00 0.00 H new ATOM 1356 N SER A 91 -24.632 0.728 -24.129 1.00 0.00 N ATOM 1357 CA SER A 91 -25.642 -0.316 -24.176 1.00 0.00 C ATOM 1358 C SER A 91 -24.972 -1.690 -24.228 1.00 0.00 C ATOM 1359 O SER A 91 -25.191 -2.525 -23.352 1.00 0.00 O ATOM 1360 CB SER A 91 -26.569 -0.132 -25.379 1.00 0.00 C ATOM 1361 OG SER A 91 -27.571 -1.143 -25.441 1.00 0.00 O ATOM 0 H SER A 91 -23.673 0.400 -24.246 1.00 0.00 H new ATOM 0 HA SER A 91 -26.247 -0.247 -23.272 1.00 0.00 H new ATOM 0 HB2 SER A 91 -27.045 0.847 -25.323 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.980 -0.149 -26.296 1.00 0.00 H new ATOM 0 HG SER A 91 -28.143 -0.989 -26.222 1.00 0.00 H new ATOM 1367 N GLY A 92 -24.167 -1.882 -25.263 1.00 0.00 N ATOM 1368 CA GLY A 92 -23.464 -3.141 -25.441 1.00 0.00 C ATOM 1369 C GLY A 92 -22.312 -3.271 -24.442 1.00 0.00 C ATOM 1370 O GLY A 92 -21.653 -2.284 -24.117 1.00 0.00 O ATOM 0 H GLY A 92 -23.986 -1.187 -25.987 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -24.158 -3.971 -25.311 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -23.077 -3.205 -26.458 1.00 0.00 H new TER 1374 GLY A 92