USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 17 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 56:sc= 0.205 USER MOD Single : A 31 GLN : amide:sc= -0.719! C(o=-0.72!,f=-2.5!) USER MOD Single : A 33 SER OG : rot -46:sc= 0.0047 USER MOD Single : A 36 TYR OH : rot 47:sc= 0.792 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 1.3 (180deg=0.528) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.68 USER MOD Single : A 49 SER OG : rot 180:sc= 0.436 USER MOD Single : A 51 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.25) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.796 K(o=0.8,f=-0.0093) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 75 SER OG : rot -145:sc= 0.0315 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 2.41 (180deg=2.41) USER MOD Single : A 80 ASN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 82 GLN : amide:sc=-0.00915 X(o=-0.0092,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 17.001 -7.667 -2.982 1.00 0.00 N ATOM 2 CA LEU A 14 18.286 -7.423 -2.324 1.00 0.00 C ATOM 3 C LEU A 14 18.238 -6.099 -1.596 1.00 0.00 C ATOM 4 O LEU A 14 18.435 -6.070 -0.390 1.00 0.00 O ATOM 5 CB LEU A 14 19.466 -7.457 -3.302 1.00 0.00 C ATOM 6 CG LEU A 14 20.750 -7.803 -2.542 1.00 0.00 C ATOM 7 CD1 LEU A 14 20.881 -9.327 -2.491 1.00 0.00 C ATOM 8 CD2 LEU A 14 21.957 -7.144 -3.214 1.00 0.00 C ATOM 0 HA LEU A 14 18.450 -8.231 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.283 -8.195 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.572 -6.490 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 14 20.709 -7.419 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.790 -9.596 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.017 -9.749 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.929 -9.722 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.863 -7.398 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.043 -7.502 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.826 -6.062 -3.217 1.00 0.00 H new ATOM 20 N LEU A 15 18.026 -5.015 -2.340 1.00 0.00 N ATOM 21 CA LEU A 15 18.035 -3.653 -1.841 1.00 0.00 C ATOM 22 C LEU A 15 16.645 -3.334 -1.308 1.00 0.00 C ATOM 23 O LEU A 15 15.651 -3.810 -1.866 1.00 0.00 O ATOM 24 CB LEU A 15 18.390 -2.712 -3.001 1.00 0.00 C ATOM 25 CG LEU A 15 19.723 -3.054 -3.702 1.00 0.00 C ATOM 26 CD1 LEU A 15 19.794 -2.303 -5.024 1.00 0.00 C ATOM 27 CD2 LEU A 15 20.943 -2.754 -2.832 1.00 0.00 C ATOM 0 H LEU A 15 17.837 -5.069 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 15 18.767 -3.529 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.587 -2.740 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.441 -1.691 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 15 19.744 -4.128 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.732 -2.538 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.959 -2.601 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.742 -1.231 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.851 -3.014 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.960 -1.693 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.889 -3.341 -1.915 1.00 0.00 H new ATOM 39 N ASP A 16 16.554 -2.492 -0.283 1.00 0.00 N ATOM 40 CA ASP A 16 15.310 -2.257 0.455 1.00 0.00 C ATOM 41 C ASP A 16 14.407 -1.211 -0.210 1.00 0.00 C ATOM 42 O ASP A 16 13.629 -0.543 0.457 1.00 0.00 O ATOM 43 CB ASP A 16 15.609 -1.970 1.946 1.00 0.00 C ATOM 44 CG ASP A 16 15.149 -3.097 2.879 1.00 0.00 C ATOM 45 OD1 ASP A 16 14.166 -3.826 2.577 1.00 0.00 O ATOM 46 OD2 ASP A 16 15.842 -3.310 3.897 1.00 0.00 O ATOM 0 H ASP A 16 17.344 -1.948 0.064 1.00 0.00 H new ATOM 0 HA ASP A 16 14.722 -3.174 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.681 -1.816 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.117 -1.042 2.237 1.00 0.00 H new ATOM 51 N SER A 17 14.453 -1.071 -1.535 1.00 0.00 N ATOM 52 CA SER A 17 13.556 -0.211 -2.316 1.00 0.00 C ATOM 53 C SER A 17 12.074 -0.393 -1.967 1.00 0.00 C ATOM 54 O SER A 17 11.315 0.580 -1.970 1.00 0.00 O ATOM 55 CB SER A 17 13.811 -0.409 -3.818 1.00 0.00 C ATOM 56 OG SER A 17 14.090 -1.761 -4.134 1.00 0.00 O ATOM 0 H SER A 17 15.133 -1.565 -2.113 1.00 0.00 H new ATOM 0 HA SER A 17 13.790 0.819 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.938 -0.078 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.648 0.216 -4.129 1.00 0.00 H new ATOM 0 HG SER A 17 14.245 -1.846 -5.098 1.00 0.00 H new ATOM 62 N TYR A 18 11.659 -1.613 -1.615 1.00 0.00 N ATOM 63 CA TYR A 18 10.299 -1.872 -1.164 1.00 0.00 C ATOM 64 C TYR A 18 9.960 -1.161 0.150 1.00 0.00 C ATOM 65 O TYR A 18 8.786 -0.905 0.384 1.00 0.00 O ATOM 66 CB TYR A 18 10.063 -3.375 -1.007 1.00 0.00 C ATOM 67 CG TYR A 18 9.887 -4.125 -2.310 1.00 0.00 C ATOM 68 CD1 TYR A 18 8.631 -4.133 -2.945 1.00 0.00 C ATOM 69 CD2 TYR A 18 10.955 -4.862 -2.852 1.00 0.00 C ATOM 70 CE1 TYR A 18 8.420 -4.928 -4.086 1.00 0.00 C ATOM 71 CE2 TYR A 18 10.756 -5.651 -4.001 1.00 0.00 C ATOM 72 CZ TYR A 18 9.478 -5.708 -4.606 1.00 0.00 C ATOM 73 OH TYR A 18 9.279 -6.505 -5.691 1.00 0.00 O ATOM 0 H TYR A 18 12.255 -2.440 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 18 9.639 -1.469 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.904 -3.807 -0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.176 -3.528 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.827 -3.527 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.929 -4.823 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.452 -4.942 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.578 -6.212 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 18 10.113 -6.969 -5.914 1.00 0.00 H new ATOM 83 N GLU A 19 10.929 -0.850 1.011 1.00 0.00 N ATOM 84 CA GLU A 19 10.720 -0.137 2.260 1.00 0.00 C ATOM 85 C GLU A 19 10.117 1.241 1.971 1.00 0.00 C ATOM 86 O GLU A 19 9.047 1.562 2.482 1.00 0.00 O ATOM 87 CB GLU A 19 12.050 -0.053 3.036 1.00 0.00 C ATOM 88 CG GLU A 19 11.723 0.252 4.495 1.00 0.00 C ATOM 89 CD GLU A 19 12.923 0.416 5.430 1.00 0.00 C ATOM 90 OE1 GLU A 19 13.895 1.102 5.052 1.00 0.00 O ATOM 91 OE2 GLU A 19 12.842 -0.099 6.571 1.00 0.00 O ATOM 0 H GLU A 19 11.906 -1.096 0.850 1.00 0.00 H new ATOM 0 HA GLU A 19 10.011 -0.673 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.598 -0.992 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.688 0.725 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.132 1.167 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.093 -0.550 4.881 1.00 0.00 H new ATOM 98 N ALA A 20 10.753 2.016 1.085 1.00 0.00 N ATOM 99 CA ALA A 20 10.276 3.333 0.670 1.00 0.00 C ATOM 100 C ALA A 20 8.847 3.244 0.122 1.00 0.00 C ATOM 101 O ALA A 20 7.978 4.037 0.485 1.00 0.00 O ATOM 102 CB ALA A 20 11.239 3.925 -0.373 1.00 0.00 C ATOM 0 H ALA A 20 11.624 1.739 0.632 1.00 0.00 H new ATOM 0 HA ALA A 20 10.252 3.995 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.882 4.907 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.233 4.021 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.285 3.267 -1.241 1.00 0.00 H new ATOM 108 N ILE A 21 8.583 2.253 -0.731 1.00 0.00 N ATOM 109 CA ILE A 21 7.263 2.008 -1.305 1.00 0.00 C ATOM 110 C ILE A 21 6.234 1.757 -0.196 1.00 0.00 C ATOM 111 O ILE A 21 5.148 2.342 -0.231 1.00 0.00 O ATOM 112 CB ILE A 21 7.351 0.818 -2.278 1.00 0.00 C ATOM 113 CG1 ILE A 21 8.178 1.228 -3.520 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.958 0.296 -2.677 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.461 0.091 -4.506 1.00 0.00 C ATOM 0 H ILE A 21 9.291 1.590 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 21 6.931 2.887 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 21 7.854 -0.006 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.649 2.023 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.128 1.645 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.067 -0.543 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.423 -0.032 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.397 1.093 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.045 0.473 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.021 -0.697 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.519 -0.313 -4.876 1.00 0.00 H new ATOM 127 N LEU A 22 6.545 0.867 0.752 1.00 0.00 N ATOM 128 CA LEU A 22 5.681 0.473 1.854 1.00 0.00 C ATOM 129 C LEU A 22 5.330 1.659 2.749 1.00 0.00 C ATOM 130 O LEU A 22 4.203 1.686 3.254 1.00 0.00 O ATOM 131 CB LEU A 22 6.365 -0.645 2.663 1.00 0.00 C ATOM 132 CG LEU A 22 6.348 -2.012 1.955 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.336 -2.986 2.594 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.958 -2.629 2.008 1.00 0.00 C ATOM 0 H LEU A 22 7.444 0.385 0.767 1.00 0.00 H new ATOM 0 HA LEU A 22 4.743 0.099 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.398 -0.360 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.870 -0.739 3.629 1.00 0.00 H new ATOM 0 HG LEU A 22 6.638 -1.836 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.297 -3.940 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.344 -2.577 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.073 -3.137 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.969 -3.594 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.661 -2.768 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.247 -1.968 1.513 1.00 0.00 H new ATOM 146 N SER A 23 6.218 2.651 2.875 1.00 0.00 N ATOM 147 CA SER A 23 5.902 3.899 3.588 1.00 0.00 C ATOM 148 C SER A 23 4.762 4.649 2.883 1.00 0.00 C ATOM 149 O SER A 23 3.954 5.338 3.508 1.00 0.00 O ATOM 150 CB SER A 23 7.119 4.833 3.656 1.00 0.00 C ATOM 151 OG SER A 23 8.182 4.352 4.448 1.00 0.00 O ATOM 0 H SER A 23 7.163 2.616 2.493 1.00 0.00 H new ATOM 0 HA SER A 23 5.604 3.620 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.486 5.005 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.799 5.798 4.048 1.00 0.00 H new ATOM 0 HG SER A 23 8.916 5.001 4.439 1.00 0.00 H new ATOM 157 N GLY A 24 4.673 4.517 1.561 1.00 0.00 N ATOM 158 CA GLY A 24 3.612 5.085 0.748 1.00 0.00 C ATOM 159 C GLY A 24 2.269 4.401 0.993 1.00 0.00 C ATOM 160 O GLY A 24 1.216 5.041 0.968 1.00 0.00 O ATOM 0 H GLY A 24 5.359 3.996 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.521 6.149 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.876 4.996 -0.306 1.00 0.00 H new ATOM 164 N ILE A 25 2.281 3.085 1.199 1.00 0.00 N ATOM 165 CA ILE A 25 1.056 2.306 1.355 1.00 0.00 C ATOM 166 C ILE A 25 0.470 2.541 2.745 1.00 0.00 C ATOM 167 O ILE A 25 -0.750 2.589 2.877 1.00 0.00 O ATOM 168 CB ILE A 25 1.316 0.815 1.068 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.942 0.661 -0.339 1.00 0.00 C ATOM 170 CG2 ILE A 25 0.005 0.007 1.186 1.00 0.00 C ATOM 171 CD1 ILE A 25 2.226 -0.788 -0.723 1.00 0.00 C ATOM 0 H ILE A 25 3.136 2.532 1.262 1.00 0.00 H new ATOM 0 HA ILE A 25 0.318 2.638 0.625 1.00 0.00 H new ATOM 0 HB ILE A 25 2.015 0.421 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.270 1.099 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.872 1.228 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.206 -1.044 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.396 0.109 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.721 0.385 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.664 -0.821 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.922 -1.224 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.295 -1.355 -0.716 1.00 0.00 H new ATOM 183 N GLU A 26 1.324 2.725 3.748 1.00 0.00 N ATOM 184 CA GLU A 26 0.970 3.130 5.106 1.00 0.00 C ATOM 185 C GLU A 26 0.090 4.379 5.045 1.00 0.00 C ATOM 186 O GLU A 26 -1.049 4.371 5.520 1.00 0.00 O ATOM 187 CB GLU A 26 2.294 3.305 5.861 1.00 0.00 C ATOM 188 CG GLU A 26 2.203 3.820 7.299 1.00 0.00 C ATOM 189 CD GLU A 26 3.572 4.312 7.782 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.621 3.743 7.396 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.620 5.332 8.503 1.00 0.00 O ATOM 0 H GLU A 26 2.328 2.590 3.631 1.00 0.00 H new ATOM 0 HA GLU A 26 0.373 2.394 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.807 2.343 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.921 3.992 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.478 4.632 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.844 3.026 7.954 1.00 0.00 H new ATOM 198 N GLU A 27 0.559 5.413 4.340 1.00 0.00 N ATOM 199 CA GLU A 27 -0.205 6.651 4.204 1.00 0.00 C ATOM 200 C GLU A 27 -1.512 6.435 3.435 1.00 0.00 C ATOM 201 O GLU A 27 -2.457 7.209 3.611 1.00 0.00 O ATOM 202 CB GLU A 27 0.621 7.743 3.501 1.00 0.00 C ATOM 203 CG GLU A 27 0.807 9.017 4.340 1.00 0.00 C ATOM 204 CD GLU A 27 2.132 9.013 5.098 1.00 0.00 C ATOM 205 OE1 GLU A 27 3.149 9.464 4.516 1.00 0.00 O ATOM 206 OE2 GLU A 27 2.159 8.533 6.252 1.00 0.00 O ATOM 0 H GLU A 27 1.458 5.415 3.859 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.446 6.977 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.601 7.338 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.134 8.006 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.765 9.890 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.016 9.108 5.049 1.00 0.00 H new ATOM 213 N THR A 28 -1.584 5.414 2.572 1.00 0.00 N ATOM 214 CA THR A 28 -2.824 5.080 1.906 1.00 0.00 C ATOM 215 C THR A 28 -3.787 4.441 2.910 1.00 0.00 C ATOM 216 O THR A 28 -4.917 4.896 3.014 1.00 0.00 O ATOM 217 CB THR A 28 -2.596 4.169 0.690 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.438 4.500 -0.058 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.785 4.236 -0.280 1.00 0.00 C ATOM 0 H THR A 28 -0.796 4.815 2.327 1.00 0.00 H new ATOM 0 HA THR A 28 -3.268 5.999 1.523 1.00 0.00 H new ATOM 0 HB THR A 28 -2.475 3.171 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.654 4.490 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.597 3.582 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.691 3.913 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.911 5.260 -0.630 1.00 0.00 H new ATOM 227 N PHE A 29 -3.382 3.400 3.645 1.00 0.00 N ATOM 228 CA PHE A 29 -4.280 2.623 4.494 1.00 0.00 C ATOM 229 C PHE A 29 -4.954 3.537 5.529 1.00 0.00 C ATOM 230 O PHE A 29 -6.180 3.492 5.682 1.00 0.00 O ATOM 231 CB PHE A 29 -3.524 1.437 5.131 1.00 0.00 C ATOM 232 CG PHE A 29 -3.432 0.155 4.290 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.086 0.181 2.925 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.692 -1.098 4.881 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.018 -1.014 2.181 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.658 -2.290 4.126 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.333 -2.261 2.758 1.00 0.00 C ATOM 0 H PHE A 29 -2.416 3.074 3.665 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.078 2.193 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.511 1.764 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.008 1.191 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.871 1.124 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.922 -1.147 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.717 -0.973 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.883 -3.232 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.325 -3.166 2.168 1.00 0.00 H new ATOM 247 N ALA A 30 -4.193 4.418 6.185 1.00 0.00 N ATOM 248 CA ALA A 30 -4.737 5.309 7.206 1.00 0.00 C ATOM 249 C ALA A 30 -5.810 6.275 6.673 1.00 0.00 C ATOM 250 O ALA A 30 -6.755 6.605 7.398 1.00 0.00 O ATOM 251 CB ALA A 30 -3.594 6.077 7.862 1.00 0.00 C ATOM 0 H ALA A 30 -3.192 4.531 6.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.245 4.686 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.995 6.744 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.900 5.374 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.069 6.663 7.107 1.00 0.00 H new ATOM 257 N GLN A 31 -5.720 6.687 5.405 1.00 0.00 N ATOM 258 CA GLN A 31 -6.656 7.598 4.744 1.00 0.00 C ATOM 259 C GLN A 31 -8.039 6.988 4.480 1.00 0.00 C ATOM 260 O GLN A 31 -8.944 7.686 4.021 1.00 0.00 O ATOM 261 CB GLN A 31 -6.024 8.040 3.421 1.00 0.00 C ATOM 262 CG GLN A 31 -5.371 9.421 3.597 1.00 0.00 C ATOM 263 CD GLN A 31 -4.584 9.990 2.418 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.075 10.850 1.687 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.336 9.569 2.245 1.00 0.00 N ATOM 0 H GLN A 31 -4.966 6.384 4.789 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.829 8.439 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.278 7.312 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.783 8.082 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.156 10.133 3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.699 9.368 4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.948 8.855 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.765 9.959 1.495 1.00 0.00 H new ATOM 274 N PHE A 32 -8.190 5.696 4.743 1.00 0.00 N ATOM 275 CA PHE A 32 -9.441 4.951 4.655 1.00 0.00 C ATOM 276 C PHE A 32 -9.719 4.184 5.959 1.00 0.00 C ATOM 277 O PHE A 32 -10.504 3.236 5.966 1.00 0.00 O ATOM 278 CB PHE A 32 -9.404 4.025 3.434 1.00 0.00 C ATOM 279 CG PHE A 32 -9.185 4.699 2.094 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.881 4.927 1.631 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.270 5.046 1.274 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.669 5.525 0.385 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.064 5.732 0.071 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.757 5.982 -0.371 1.00 0.00 C ATOM 0 H PHE A 32 -7.408 5.111 5.037 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.268 5.649 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.611 3.292 3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.344 3.474 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.037 4.639 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.273 4.781 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.664 5.635 0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.908 6.067 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.590 6.524 -1.290 1.00 0.00 H new ATOM 294 N SER A 33 -9.058 4.556 7.065 1.00 0.00 N ATOM 295 CA SER A 33 -9.281 3.978 8.399 1.00 0.00 C ATOM 296 C SER A 33 -8.833 2.506 8.474 1.00 0.00 C ATOM 297 O SER A 33 -9.333 1.724 9.292 1.00 0.00 O ATOM 298 CB SER A 33 -10.757 4.213 8.797 1.00 0.00 C ATOM 299 OG SER A 33 -11.051 4.080 10.178 1.00 0.00 O ATOM 0 H SER A 33 -8.340 5.280 7.058 1.00 0.00 H new ATOM 0 HA SER A 33 -8.654 4.481 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.045 5.215 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.380 3.511 8.243 1.00 0.00 H new ATOM 0 HG SER A 33 -10.635 3.263 10.524 1.00 0.00 H new ATOM 305 N ILE A 34 -7.952 2.062 7.574 1.00 0.00 N ATOM 306 CA ILE A 34 -7.606 0.652 7.448 1.00 0.00 C ATOM 307 C ILE A 34 -6.499 0.360 8.468 1.00 0.00 C ATOM 308 O ILE A 34 -5.600 1.192 8.631 1.00 0.00 O ATOM 309 CB ILE A 34 -7.173 0.335 5.998 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.280 0.747 5.005 1.00 0.00 C ATOM 311 CG2 ILE A 34 -6.893 -1.164 5.816 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.856 0.680 3.541 1.00 0.00 C ATOM 0 H ILE A 34 -7.463 2.670 6.917 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.463 0.011 7.657 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.261 0.899 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.145 0.100 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.599 1.764 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.591 -1.355 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.094 -1.470 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.795 -1.733 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.689 0.984 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.011 1.348 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.565 -0.341 3.293 1.00 0.00 H new ATOM 324 N PRO A 35 -6.507 -0.808 9.135 1.00 0.00 N ATOM 325 CA PRO A 35 -5.340 -1.276 9.854 1.00 0.00 C ATOM 326 C PRO A 35 -4.254 -1.642 8.846 1.00 0.00 C ATOM 327 O PRO A 35 -4.344 -2.656 8.148 1.00 0.00 O ATOM 328 CB PRO A 35 -5.786 -2.477 10.679 1.00 0.00 C ATOM 329 CG PRO A 35 -6.985 -3.020 9.906 1.00 0.00 C ATOM 330 CD PRO A 35 -7.571 -1.799 9.195 1.00 0.00 C ATOM 0 HA PRO A 35 -4.924 -0.517 10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.994 -3.221 10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.061 -2.187 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.683 -3.787 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.714 -3.477 10.575 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.915 -2.060 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.433 -1.411 9.737 1.00 0.00 H new ATOM 338 N TYR A 36 -3.230 -0.802 8.748 1.00 0.00 N ATOM 339 CA TYR A 36 -1.973 -1.180 8.141 1.00 0.00 C ATOM 340 C TYR A 36 -1.346 -2.287 8.989 1.00 0.00 C ATOM 341 O TYR A 36 -1.599 -2.399 10.190 1.00 0.00 O ATOM 342 CB TYR A 36 -1.076 0.056 8.054 1.00 0.00 C ATOM 343 CG TYR A 36 0.188 -0.165 7.256 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.158 -0.081 5.854 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.399 -0.437 7.917 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.354 -0.182 5.127 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.586 -0.606 7.190 1.00 0.00 C ATOM 348 CZ TYR A 36 2.576 -0.428 5.790 1.00 0.00 C ATOM 349 OH TYR A 36 3.733 -0.466 5.080 1.00 0.00 O ATOM 0 H TYR A 36 -3.254 0.159 9.089 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.113 -1.561 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.641 0.873 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.808 0.371 9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.780 0.061 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.415 -0.516 8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.340 -0.071 4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.502 -0.871 7.698 1.00 0.00 H new ATOM 0 HH TYR A 36 3.775 0.308 4.481 1.00 0.00 H new ATOM 359 N ASP A 37 -0.516 -3.114 8.376 1.00 0.00 N ATOM 360 CA ASP A 37 0.266 -4.115 9.081 1.00 0.00 C ATOM 361 C ASP A 37 1.427 -4.441 8.162 1.00 0.00 C ATOM 362 O ASP A 37 1.222 -5.074 7.124 1.00 0.00 O ATOM 363 CB ASP A 37 -0.569 -5.378 9.384 1.00 0.00 C ATOM 364 CG ASP A 37 -0.743 -5.694 10.869 1.00 0.00 C ATOM 365 OD1 ASP A 37 0.055 -5.249 11.726 1.00 0.00 O ATOM 366 OD2 ASP A 37 -1.706 -6.435 11.162 1.00 0.00 O ATOM 0 H ASP A 37 -0.365 -3.109 7.367 1.00 0.00 H new ATOM 0 HA ASP A 37 0.605 -3.743 10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.555 -5.260 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.098 -6.232 8.899 1.00 0.00 H new ATOM 371 N LYS A 38 2.638 -4.000 8.515 1.00 0.00 N ATOM 372 CA LYS A 38 3.827 -4.126 7.668 1.00 0.00 C ATOM 373 C LYS A 38 3.935 -5.511 7.056 1.00 0.00 C ATOM 374 O LYS A 38 4.088 -5.615 5.846 1.00 0.00 O ATOM 375 CB LYS A 38 5.071 -3.775 8.474 1.00 0.00 C ATOM 376 CG LYS A 38 6.379 -3.866 7.676 1.00 0.00 C ATOM 377 CD LYS A 38 6.437 -3.047 6.378 1.00 0.00 C ATOM 378 CE LYS A 38 6.172 -1.547 6.557 1.00 0.00 C ATOM 379 NZ LYS A 38 7.130 -0.860 7.445 1.00 0.00 N ATOM 0 H LYS A 38 2.822 -3.540 9.407 1.00 0.00 H new ATOM 0 HA LYS A 38 3.737 -3.424 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.965 -2.763 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.135 -4.442 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.197 -3.545 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.559 -4.913 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.420 -3.177 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.707 -3.450 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.194 -1.067 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.166 -1.413 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.880 0.147 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.095 -1.289 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.091 -0.954 7.058 1.00 0.00 H new ATOM 393 N GLU A 39 3.807 -6.554 7.867 1.00 0.00 N ATOM 394 CA GLU A 39 3.898 -7.947 7.454 1.00 0.00 C ATOM 395 C GLU A 39 2.941 -8.286 6.308 1.00 0.00 C ATOM 396 O GLU A 39 3.349 -8.815 5.277 1.00 0.00 O ATOM 397 CB GLU A 39 3.885 -8.922 8.640 1.00 0.00 C ATOM 398 CG GLU A 39 2.507 -8.852 9.244 1.00 0.00 C ATOM 399 CD GLU A 39 2.453 -9.033 10.756 1.00 0.00 C ATOM 400 OE1 GLU A 39 3.088 -8.238 11.476 1.00 0.00 O ATOM 401 OE2 GLU A 39 1.721 -9.927 11.235 1.00 0.00 O ATOM 0 H GLU A 39 3.631 -6.448 8.866 1.00 0.00 H new ATOM 0 HA GLU A 39 4.886 -8.090 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.112 -9.936 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.643 -8.649 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.066 -7.887 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.885 -9.617 8.780 1.00 0.00 H new ATOM 408 N LYS A 40 1.653 -7.996 6.481 1.00 0.00 N ATOM 409 CA LYS A 40 0.599 -8.354 5.556 1.00 0.00 C ATOM 410 C LYS A 40 0.725 -7.548 4.277 1.00 0.00 C ATOM 411 O LYS A 40 0.538 -8.078 3.186 1.00 0.00 O ATOM 412 CB LYS A 40 -0.747 -8.087 6.242 1.00 0.00 C ATOM 413 CG LYS A 40 -0.852 -8.836 7.587 1.00 0.00 C ATOM 414 CD LYS A 40 -2.285 -9.285 7.867 1.00 0.00 C ATOM 415 CE LYS A 40 -3.198 -8.147 8.350 1.00 0.00 C ATOM 416 NZ LYS A 40 -3.318 -8.113 9.823 1.00 0.00 N ATOM 0 H LYS A 40 1.311 -7.489 7.298 1.00 0.00 H new ATOM 0 HA LYS A 40 0.672 -9.408 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.866 -7.017 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.560 -8.399 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.194 -9.705 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.508 -8.188 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.706 -9.718 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.270 -10.073 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.805 -7.194 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.188 -8.266 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.317 -7.998 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.954 -9.002 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.767 -7.315 10.198 1.00 0.00 H new ATOM 430 N VAL A 41 1.031 -6.263 4.404 1.00 0.00 N ATOM 431 CA VAL A 41 1.197 -5.343 3.294 1.00 0.00 C ATOM 432 C VAL A 41 2.384 -5.809 2.432 1.00 0.00 C ATOM 433 O VAL A 41 2.233 -5.946 1.215 1.00 0.00 O ATOM 434 CB VAL A 41 1.332 -3.931 3.903 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.686 -2.844 2.886 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.006 -3.527 4.580 1.00 0.00 C ATOM 0 H VAL A 41 1.174 -5.822 5.312 1.00 0.00 H new ATOM 0 HA VAL A 41 0.348 -5.318 2.611 1.00 0.00 H new ATOM 0 HB VAL A 41 2.154 -3.997 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.762 -1.882 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.640 -3.083 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.908 -2.792 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.105 -2.530 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.795 -3.526 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.231 -4.240 5.370 1.00 0.00 H new ATOM 446 N ARG A 42 3.532 -6.083 3.063 1.00 0.00 N ATOM 447 CA ARG A 42 4.783 -6.590 2.500 1.00 0.00 C ATOM 448 C ARG A 42 4.573 -7.918 1.785 1.00 0.00 C ATOM 449 O ARG A 42 4.925 -8.034 0.611 1.00 0.00 O ATOM 450 CB ARG A 42 5.751 -6.739 3.686 1.00 0.00 C ATOM 451 CG ARG A 42 7.138 -7.339 3.445 1.00 0.00 C ATOM 452 CD ARG A 42 7.583 -8.063 4.732 1.00 0.00 C ATOM 453 NE ARG A 42 9.032 -8.014 4.938 1.00 0.00 N ATOM 454 CZ ARG A 42 9.968 -8.443 4.095 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.712 -9.338 3.146 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.185 -7.954 4.235 1.00 0.00 N ATOM 0 H ARG A 42 3.613 -5.942 4.070 1.00 0.00 H new ATOM 0 HA ARG A 42 5.181 -5.909 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.892 -5.750 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.255 -7.351 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.110 -8.036 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.850 -6.556 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.083 -7.611 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.262 -9.104 4.688 1.00 0.00 H new ATOM 0 HE ARG A 42 9.357 -7.610 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.772 -9.720 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.456 -9.643 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.380 -7.273 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.931 -8.257 3.609 1.00 0.00 H new ATOM 470 N GLU A 43 4.055 -8.929 2.485 1.00 0.00 N ATOM 471 CA GLU A 43 3.905 -10.259 1.912 1.00 0.00 C ATOM 472 C GLU A 43 2.943 -10.214 0.726 1.00 0.00 C ATOM 473 O GLU A 43 3.239 -10.798 -0.316 1.00 0.00 O ATOM 474 CB GLU A 43 3.472 -11.271 2.988 1.00 0.00 C ATOM 475 CG GLU A 43 3.217 -12.663 2.374 1.00 0.00 C ATOM 476 CD GLU A 43 3.796 -13.845 3.156 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.991 -13.805 3.522 1.00 0.00 O ATOM 478 OE2 GLU A 43 3.109 -14.884 3.289 1.00 0.00 O ATOM 0 H GLU A 43 3.734 -8.847 3.450 1.00 0.00 H new ATOM 0 HA GLU A 43 4.869 -10.600 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.244 -11.344 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.567 -10.917 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.141 -12.806 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.633 -12.678 1.366 1.00 0.00 H new ATOM 485 N PHE A 44 1.819 -9.502 0.850 1.00 0.00 N ATOM 486 CA PHE A 44 0.815 -9.466 -0.199 1.00 0.00 C ATOM 487 C PHE A 44 1.418 -8.962 -1.513 1.00 0.00 C ATOM 488 O PHE A 44 1.284 -9.628 -2.536 1.00 0.00 O ATOM 489 CB PHE A 44 -0.389 -8.642 0.257 1.00 0.00 C ATOM 490 CG PHE A 44 -1.547 -8.710 -0.708 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.468 -8.041 -1.937 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.704 -9.445 -0.390 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.489 -8.185 -2.884 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.771 -9.503 -1.303 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.656 -8.884 -2.559 1.00 0.00 C ATOM 0 H PHE A 44 1.588 -8.944 1.672 1.00 0.00 H new ATOM 0 HA PHE A 44 0.458 -10.477 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.716 -8.996 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.086 -7.602 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.617 -7.413 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.772 -9.964 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.375 -7.755 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.680 -10.024 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.466 -8.948 -3.271 1.00 0.00 H new ATOM 505 N ILE A 45 2.117 -7.823 -1.519 1.00 0.00 N ATOM 506 CA ILE A 45 2.689 -7.288 -2.764 1.00 0.00 C ATOM 507 C ILE A 45 3.775 -8.197 -3.357 1.00 0.00 C ATOM 508 O ILE A 45 4.007 -8.147 -4.566 1.00 0.00 O ATOM 509 CB ILE A 45 3.170 -5.832 -2.585 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.339 -5.698 -1.585 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.952 -5.001 -2.165 1.00 0.00 C ATOM 512 CD1 ILE A 45 4.864 -4.271 -1.390 1.00 0.00 C ATOM 0 H ILE A 45 2.300 -7.258 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 45 1.885 -7.272 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 45 3.578 -5.465 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.017 -6.086 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.161 -6.328 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.250 -3.962 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.187 -5.060 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.551 -5.390 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.683 -4.280 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.222 -3.882 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.061 -3.635 -1.018 1.00 0.00 H new ATOM 524 N PHE A 46 4.394 -9.058 -2.543 1.00 0.00 N ATOM 525 CA PHE A 46 5.332 -10.085 -2.988 1.00 0.00 C ATOM 526 C PHE A 46 4.635 -11.327 -3.544 1.00 0.00 C ATOM 527 O PHE A 46 5.275 -12.129 -4.229 1.00 0.00 O ATOM 528 CB PHE A 46 6.231 -10.493 -1.816 1.00 0.00 C ATOM 529 CG PHE A 46 7.585 -9.828 -1.914 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.674 -8.435 -1.766 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.722 -10.564 -2.300 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.892 -7.778 -1.995 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.938 -9.905 -2.543 1.00 0.00 C ATOM 534 CZ PHE A 46 10.021 -8.511 -2.396 1.00 0.00 C ATOM 0 H PHE A 46 4.251 -9.057 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 46 5.919 -9.654 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.754 -10.218 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.354 -11.576 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.802 -7.868 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.659 -11.637 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.962 -6.708 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.808 -10.470 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.953 -8.002 -2.591 1.00 0.00 H new ATOM 544 N LYS A 47 3.358 -11.536 -3.227 1.00 0.00 N ATOM 545 CA LYS A 47 2.570 -12.688 -3.656 1.00 0.00 C ATOM 546 C LYS A 47 1.700 -12.336 -4.857 1.00 0.00 C ATOM 547 O LYS A 47 1.504 -13.195 -5.720 1.00 0.00 O ATOM 548 CB LYS A 47 1.691 -13.149 -2.486 1.00 0.00 C ATOM 549 CG LYS A 47 2.472 -13.984 -1.465 1.00 0.00 C ATOM 550 CD LYS A 47 1.667 -14.268 -0.190 1.00 0.00 C ATOM 551 CE LYS A 47 0.596 -15.348 -0.361 1.00 0.00 C ATOM 552 NZ LYS A 47 0.191 -15.918 0.943 1.00 0.00 N ATOM 0 H LYS A 47 2.828 -10.887 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 47 3.244 -13.491 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.265 -12.277 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.857 -13.736 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.765 -14.929 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.391 -13.460 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.353 -14.572 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.189 -13.345 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.275 -14.923 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.977 -16.141 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.536 -16.647 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.018 -16.344 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.195 -15.164 1.547 1.00 0.00 H new ATOM 566 N TYR A 48 1.184 -11.109 -4.925 1.00 0.00 N ATOM 567 CA TYR A 48 0.169 -10.725 -5.905 1.00 0.00 C ATOM 568 C TYR A 48 0.615 -9.440 -6.600 1.00 0.00 C ATOM 569 O TYR A 48 1.316 -9.550 -7.604 1.00 0.00 O ATOM 570 CB TYR A 48 -1.216 -10.643 -5.233 1.00 0.00 C ATOM 571 CG TYR A 48 -1.567 -11.871 -4.407 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.101 -13.023 -5.013 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.287 -11.881 -3.028 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.300 -14.192 -4.252 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.516 -13.025 -2.253 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.998 -14.197 -2.870 1.00 0.00 C ATOM 577 OH TYR A 48 -2.127 -15.327 -2.127 1.00 0.00 O ATOM 0 H TYR A 48 1.459 -10.351 -4.300 1.00 0.00 H new ATOM 0 HA TYR A 48 0.064 -11.481 -6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.247 -9.763 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.976 -10.504 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.358 -13.011 -6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.889 -10.993 -2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.683 -15.085 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.325 -13.009 -1.190 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.967 -16.111 -2.693 1.00 0.00 H new ATOM 587 N SER A 49 0.321 -8.259 -6.043 1.00 0.00 N ATOM 588 CA SER A 49 0.842 -6.963 -6.465 1.00 0.00 C ATOM 589 C SER A 49 0.289 -5.868 -5.553 1.00 0.00 C ATOM 590 O SER A 49 -0.536 -6.134 -4.674 1.00 0.00 O ATOM 591 CB SER A 49 0.495 -6.653 -7.931 1.00 0.00 C ATOM 592 OG SER A 49 -0.899 -6.522 -8.118 1.00 0.00 O ATOM 0 H SER A 49 -0.316 -8.183 -5.250 1.00 0.00 H new ATOM 0 HA SER A 49 1.929 -6.997 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.992 -5.732 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.876 -7.448 -8.572 1.00 0.00 H new ATOM 0 HG SER A 49 -1.086 -6.324 -9.059 1.00 0.00 H new ATOM 598 N VAL A 50 0.722 -4.623 -5.765 1.00 0.00 N ATOM 599 CA VAL A 50 0.080 -3.448 -5.177 1.00 0.00 C ATOM 600 C VAL A 50 -1.349 -3.259 -5.696 1.00 0.00 C ATOM 601 O VAL A 50 -2.266 -3.025 -4.910 1.00 0.00 O ATOM 602 CB VAL A 50 0.935 -2.187 -5.251 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.239 -2.314 -4.446 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.236 -1.910 -6.688 1.00 0.00 C ATOM 0 H VAL A 50 1.528 -4.402 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.010 -3.646 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 50 0.378 -1.362 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.811 -1.390 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.003 -2.499 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.829 -3.143 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.847 -1.011 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.777 -2.754 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.304 -1.762 -7.233 1.00 0.00 H new ATOM 614 N GLN A 51 -1.533 -3.391 -7.011 1.00 0.00 N ATOM 615 CA GLN A 51 -2.816 -3.233 -7.676 1.00 0.00 C ATOM 616 C GLN A 51 -3.815 -4.223 -7.120 1.00 0.00 C ATOM 617 O GLN A 51 -4.974 -3.872 -6.930 1.00 0.00 O ATOM 618 CB GLN A 51 -2.675 -3.409 -9.195 1.00 0.00 C ATOM 619 CG GLN A 51 -4.036 -3.452 -9.922 1.00 0.00 C ATOM 620 CD GLN A 51 -4.477 -4.885 -10.207 1.00 0.00 C ATOM 621 OE1 GLN A 51 -3.949 -5.535 -11.106 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.418 -5.402 -9.441 1.00 0.00 N ATOM 0 H GLN A 51 -0.773 -3.616 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.177 -2.222 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.079 -2.590 -9.597 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.130 -4.330 -9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.790 -2.953 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.966 -2.899 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.840 -4.840 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.724 -6.364 -9.588 1.00 0.00 H new ATOM 631 N ASP A 52 -3.423 -5.475 -6.908 1.00 0.00 N ATOM 632 CA ASP A 52 -4.410 -6.416 -6.404 1.00 0.00 C ATOM 633 C ASP A 52 -4.694 -6.141 -4.934 1.00 0.00 C ATOM 634 O ASP A 52 -5.799 -6.403 -4.470 1.00 0.00 O ATOM 635 CB ASP A 52 -4.027 -7.866 -6.710 1.00 0.00 C ATOM 636 CG ASP A 52 -5.262 -8.565 -7.266 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.661 -8.275 -8.418 1.00 0.00 O ATOM 638 OD2 ASP A 52 -5.898 -9.359 -6.540 1.00 0.00 O ATOM 0 H ASP A 52 -2.486 -5.845 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.350 -6.265 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.210 -7.902 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.678 -8.368 -5.808 1.00 0.00 H new ATOM 643 N LEU A 53 -3.750 -5.529 -4.208 1.00 0.00 N ATOM 644 CA LEU A 53 -3.921 -5.273 -2.787 1.00 0.00 C ATOM 645 C LEU A 53 -4.992 -4.220 -2.546 1.00 0.00 C ATOM 646 O LEU A 53 -6.021 -4.555 -1.960 1.00 0.00 O ATOM 647 CB LEU A 53 -2.573 -4.930 -2.153 1.00 0.00 C ATOM 648 CG LEU A 53 -2.589 -4.726 -0.620 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.629 -3.235 -0.377 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.584 -5.583 0.170 1.00 0.00 C ATOM 0 H LEU A 53 -2.861 -5.204 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.281 -6.176 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.868 -5.727 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.193 -4.021 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.675 -5.132 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.642 -3.041 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.748 -2.770 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.527 -2.816 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.502 -5.351 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.597 -5.371 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.362 -6.638 0.011 1.00 0.00 H new ATOM 662 N LEU A 54 -4.795 -2.972 -2.998 1.00 0.00 N ATOM 663 CA LEU A 54 -5.849 -1.955 -2.882 1.00 0.00 C ATOM 664 C LEU A 54 -7.208 -2.422 -3.337 1.00 0.00 C ATOM 665 O LEU A 54 -8.189 -2.069 -2.690 1.00 0.00 O ATOM 666 CB LEU A 54 -5.545 -0.531 -3.366 1.00 0.00 C ATOM 667 CG LEU A 54 -4.516 -0.385 -4.477 1.00 0.00 C ATOM 668 CD1 LEU A 54 -5.121 -1.207 -5.580 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.301 1.039 -4.963 1.00 0.00 C ATOM 0 H LEU A 54 -3.934 -2.648 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.871 -1.840 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.478 -0.083 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.205 0.052 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.528 -0.695 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.467 -1.184 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.240 -2.237 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.095 -0.798 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.551 1.044 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.239 1.437 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.958 1.658 -4.134 1.00 0.00 H new ATOM 681 N VAL A 55 -7.258 -3.233 -4.386 1.00 0.00 N ATOM 682 CA VAL A 55 -8.516 -3.729 -4.871 1.00 0.00 C ATOM 683 C VAL A 55 -9.154 -4.629 -3.799 1.00 0.00 C ATOM 684 O VAL A 55 -10.256 -4.329 -3.344 1.00 0.00 O ATOM 685 CB VAL A 55 -8.350 -4.420 -6.241 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.661 -5.086 -6.659 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.958 -3.429 -7.355 1.00 0.00 C ATOM 0 H VAL A 55 -6.441 -3.553 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.201 -2.900 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.553 -5.154 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.531 -5.570 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.944 -5.832 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.445 -4.332 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.854 -3.965 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.732 -2.668 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.011 -2.953 -7.102 1.00 0.00 H new ATOM 697 N ARG A 56 -8.478 -5.705 -3.359 1.00 0.00 N ATOM 698 CA ARG A 56 -8.951 -6.603 -2.311 1.00 0.00 C ATOM 699 C ARG A 56 -9.436 -5.836 -1.096 1.00 0.00 C ATOM 700 O ARG A 56 -10.530 -6.122 -0.607 1.00 0.00 O ATOM 701 CB ARG A 56 -7.816 -7.560 -1.907 1.00 0.00 C ATOM 702 CG ARG A 56 -7.869 -8.936 -2.568 1.00 0.00 C ATOM 703 CD ARG A 56 -7.891 -8.965 -4.099 1.00 0.00 C ATOM 704 NE ARG A 56 -9.239 -8.832 -4.685 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.484 -8.494 -5.955 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.489 -8.330 -6.813 1.00 0.00 N ATOM 707 NH2 ARG A 56 -10.736 -8.310 -6.358 1.00 0.00 N ATOM 0 H ARG A 56 -7.569 -5.973 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.795 -7.171 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.862 -7.092 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.839 -7.692 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.006 -9.509 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.757 -9.453 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.262 -8.159 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.449 -9.901 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.040 -9.010 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.525 -8.462 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.687 -8.072 -7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.506 -8.427 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.927 -8.052 -7.326 1.00 0.00 H new ATOM 721 N VAL A 57 -8.611 -4.931 -0.561 1.00 0.00 N ATOM 722 CA VAL A 57 -9.029 -4.209 0.630 1.00 0.00 C ATOM 723 C VAL A 57 -10.229 -3.307 0.325 1.00 0.00 C ATOM 724 O VAL A 57 -11.122 -3.254 1.160 1.00 0.00 O ATOM 725 CB VAL A 57 -7.876 -3.416 1.264 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.235 -3.013 2.697 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.540 -4.164 1.284 1.00 0.00 C ATOM 0 H VAL A 57 -7.687 -4.691 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.339 -4.950 1.367 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.743 -2.539 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.410 -2.452 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.131 -2.392 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.421 -3.908 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.779 -3.536 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.648 -5.086 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.241 -4.403 0.263 1.00 0.00 H new ATOM 737 N ALA A 58 -10.281 -2.611 -0.821 1.00 0.00 N ATOM 738 CA ALA A 58 -11.391 -1.716 -1.154 1.00 0.00 C ATOM 739 C ALA A 58 -12.707 -2.470 -1.184 1.00 0.00 C ATOM 740 O ALA A 58 -13.687 -2.030 -0.584 1.00 0.00 O ATOM 741 CB ALA A 58 -11.192 -1.057 -2.523 1.00 0.00 C ATOM 0 H ALA A 58 -9.556 -2.655 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.414 -0.950 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.035 -0.400 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.271 -0.475 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.129 -1.827 -3.292 1.00 0.00 H new ATOM 747 N GLU A 59 -12.679 -3.607 -1.872 1.00 0.00 N ATOM 748 CA GLU A 59 -13.798 -4.486 -2.111 1.00 0.00 C ATOM 749 C GLU A 59 -14.420 -4.874 -0.769 1.00 0.00 C ATOM 750 O GLU A 59 -15.635 -4.789 -0.594 1.00 0.00 O ATOM 751 CB GLU A 59 -13.258 -5.679 -2.912 1.00 0.00 C ATOM 752 CG GLU A 59 -14.323 -6.616 -3.474 1.00 0.00 C ATOM 753 CD GLU A 59 -15.218 -5.902 -4.480 1.00 0.00 C ATOM 754 OE1 GLU A 59 -14.810 -5.782 -5.655 1.00 0.00 O ATOM 755 OE2 GLU A 59 -16.299 -5.415 -4.086 1.00 0.00 O ATOM 0 H GLU A 59 -11.819 -3.952 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.596 -4.019 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.657 -5.300 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.591 -6.255 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.843 -7.469 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.931 -7.009 -2.659 1.00 0.00 H new ATOM 762 N ASP A 60 -13.573 -5.227 0.202 1.00 0.00 N ATOM 763 CA ASP A 60 -13.962 -5.545 1.571 1.00 0.00 C ATOM 764 C ASP A 60 -14.487 -4.296 2.290 1.00 0.00 C ATOM 765 O ASP A 60 -15.575 -4.302 2.869 1.00 0.00 O ATOM 766 CB ASP A 60 -12.740 -6.133 2.299 1.00 0.00 C ATOM 767 CG ASP A 60 -13.069 -6.887 3.592 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.893 -6.401 4.407 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.430 -7.944 3.802 1.00 0.00 O ATOM 0 H ASP A 60 -12.567 -5.300 0.048 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.770 -6.277 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.221 -6.811 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.048 -5.324 2.532 1.00 0.00 H new ATOM 774 N ARG A 61 -13.700 -3.219 2.287 1.00 0.00 N ATOM 775 CA ARG A 61 -13.870 -2.019 3.106 1.00 0.00 C ATOM 776 C ARG A 61 -14.922 -1.042 2.589 1.00 0.00 C ATOM 777 O ARG A 61 -15.017 0.045 3.154 1.00 0.00 O ATOM 778 CB ARG A 61 -12.496 -1.343 3.301 1.00 0.00 C ATOM 779 CG ARG A 61 -11.622 -2.062 4.337 1.00 0.00 C ATOM 780 CD ARG A 61 -12.119 -1.660 5.729 1.00 0.00 C ATOM 781 NE ARG A 61 -11.416 -2.337 6.838 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.518 -3.628 7.194 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.259 -4.471 6.493 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.892 -4.097 8.265 1.00 0.00 N ATOM 0 H ARG A 61 -12.883 -3.158 1.680 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.265 -2.341 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.971 -1.315 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.646 -0.309 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.685 -3.142 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.575 -1.786 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.007 -0.582 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.184 -1.879 5.800 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.784 -1.761 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.763 -4.143 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.326 -5.448 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.320 -3.474 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.982 -5.081 8.518 1.00 0.00 H new ATOM 798 N ASN A 62 -15.737 -1.404 1.595 1.00 0.00 N ATOM 799 CA ASN A 62 -16.804 -0.566 1.054 1.00 0.00 C ATOM 800 C ASN A 62 -16.244 0.673 0.328 1.00 0.00 C ATOM 801 O ASN A 62 -16.933 1.691 0.206 1.00 0.00 O ATOM 802 CB ASN A 62 -17.841 -0.256 2.143 1.00 0.00 C ATOM 803 CG ASN A 62 -19.111 -1.069 2.012 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.293 -2.055 2.727 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.999 -0.663 1.129 1.00 0.00 N ATOM 0 H ASN A 62 -15.669 -2.311 1.134 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.337 -1.116 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.397 -0.444 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.091 0.804 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.877 -1.171 1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.809 0.159 0.556 1.00 0.00 H new ATOM 812 N LEU A 63 -14.987 0.629 -0.127 1.00 0.00 N ATOM 813 CA LEU A 63 -14.238 1.774 -0.668 1.00 0.00 C ATOM 814 C LEU A 63 -14.315 1.781 -2.195 1.00 0.00 C ATOM 815 O LEU A 63 -15.109 1.030 -2.760 1.00 0.00 O ATOM 816 CB LEU A 63 -12.790 1.756 -0.152 1.00 0.00 C ATOM 817 CG LEU A 63 -12.661 1.584 1.362 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.175 1.508 1.718 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.416 2.663 2.147 1.00 0.00 C ATOM 0 H LEU A 63 -14.442 -0.233 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.690 2.702 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.252 0.946 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.302 2.686 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.141 0.652 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.065 1.385 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.722 0.658 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.678 2.426 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.289 2.491 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.020 3.645 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.476 2.621 1.896 1.00 0.00 H new ATOM 831 N ASP A 64 -13.541 2.632 -2.877 1.00 0.00 N ATOM 832 CA ASP A 64 -13.615 2.779 -4.324 1.00 0.00 C ATOM 833 C ASP A 64 -12.175 2.936 -4.747 1.00 0.00 C ATOM 834 O ASP A 64 -11.539 3.943 -4.426 1.00 0.00 O ATOM 835 CB ASP A 64 -14.407 4.034 -4.701 1.00 0.00 C ATOM 836 CG ASP A 64 -15.593 3.839 -5.649 1.00 0.00 C ATOM 837 OD1 ASP A 64 -15.732 2.774 -6.299 1.00 0.00 O ATOM 838 OD2 ASP A 64 -16.392 4.788 -5.788 1.00 0.00 O ATOM 0 H ASP A 64 -12.847 3.236 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.115 1.936 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.776 4.492 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.720 4.746 -5.158 1.00 0.00 H new ATOM 843 N VAL A 65 -11.623 1.915 -5.382 1.00 0.00 N ATOM 844 CA VAL A 65 -10.201 1.843 -5.705 1.00 0.00 C ATOM 845 C VAL A 65 -9.735 3.043 -6.550 1.00 0.00 C ATOM 846 O VAL A 65 -8.552 3.389 -6.557 1.00 0.00 O ATOM 847 CB VAL A 65 -9.916 0.493 -6.384 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.746 0.339 -7.661 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.432 0.341 -6.714 1.00 0.00 C ATOM 0 H VAL A 65 -12.153 1.101 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.620 1.902 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.198 -0.290 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.527 -0.624 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.806 0.390 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.496 1.141 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.263 -0.623 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.126 1.140 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.847 0.398 -5.796 1.00 0.00 H new ATOM 859 N GLU A 66 -10.664 3.698 -7.238 1.00 0.00 N ATOM 860 CA GLU A 66 -10.446 4.912 -8.005 1.00 0.00 C ATOM 861 C GLU A 66 -9.816 5.979 -7.092 1.00 0.00 C ATOM 862 O GLU A 66 -8.806 6.601 -7.431 1.00 0.00 O ATOM 863 CB GLU A 66 -11.806 5.391 -8.530 1.00 0.00 C ATOM 864 CG GLU A 66 -12.656 4.386 -9.312 1.00 0.00 C ATOM 865 CD GLU A 66 -12.082 3.993 -10.669 1.00 0.00 C ATOM 866 OE1 GLU A 66 -12.229 4.790 -11.625 1.00 0.00 O ATOM 867 OE2 GLU A 66 -11.620 2.837 -10.802 1.00 0.00 O ATOM 0 H GLU A 66 -11.632 3.380 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.772 4.730 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.392 5.737 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.634 6.256 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.778 3.486 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.650 4.808 -9.461 1.00 0.00 H new ATOM 874 N VAL A 67 -10.373 6.141 -5.886 1.00 0.00 N ATOM 875 CA VAL A 67 -9.863 7.053 -4.877 1.00 0.00 C ATOM 876 C VAL A 67 -8.510 6.536 -4.388 1.00 0.00 C ATOM 877 O VAL A 67 -7.567 7.309 -4.278 1.00 0.00 O ATOM 878 CB VAL A 67 -10.878 7.218 -3.724 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.486 8.394 -2.822 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.305 7.449 -4.232 1.00 0.00 C ATOM 0 H VAL A 67 -11.204 5.630 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.721 8.045 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.857 6.285 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.214 8.493 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.498 8.214 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.467 9.312 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.980 7.559 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.333 8.355 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.618 6.598 -4.837 1.00 0.00 H new ATOM 890 N LEU A 68 -8.368 5.237 -4.105 1.00 0.00 N ATOM 891 CA LEU A 68 -7.163 4.630 -3.572 1.00 0.00 C ATOM 892 C LEU A 68 -5.962 4.853 -4.474 1.00 0.00 C ATOM 893 O LEU A 68 -4.865 5.049 -3.963 1.00 0.00 O ATOM 894 CB LEU A 68 -7.397 3.132 -3.399 1.00 0.00 C ATOM 895 CG LEU A 68 -8.313 2.804 -2.213 1.00 0.00 C ATOM 896 CD1 LEU A 68 -9.683 3.416 -2.041 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.394 1.299 -2.059 1.00 0.00 C ATOM 0 H LEU A 68 -9.120 4.563 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.945 5.101 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.836 2.730 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.438 2.633 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.794 3.338 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.141 3.033 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.591 4.500 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.307 3.158 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.043 1.054 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.800 0.861 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.397 0.898 -1.877 1.00 0.00 H new ATOM 909 N ASN A 69 -6.153 4.845 -5.791 1.00 0.00 N ATOM 910 CA ASN A 69 -5.114 5.178 -6.757 1.00 0.00 C ATOM 911 C ASN A 69 -4.601 6.588 -6.480 1.00 0.00 C ATOM 912 O ASN A 69 -3.398 6.808 -6.331 1.00 0.00 O ATOM 913 CB ASN A 69 -5.671 5.091 -8.183 1.00 0.00 C ATOM 914 CG ASN A 69 -5.586 3.687 -8.751 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.651 3.367 -9.482 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.503 2.801 -8.420 1.00 0.00 N ATOM 0 H ASN A 69 -7.046 4.604 -6.221 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.292 4.468 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.711 5.419 -8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.120 5.775 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.439 1.845 -8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.277 3.071 -7.813 1.00 0.00 H new ATOM 923 N GLN A 70 -5.512 7.551 -6.381 1.00 0.00 N ATOM 924 CA GLN A 70 -5.176 8.935 -6.111 1.00 0.00 C ATOM 925 C GLN A 70 -4.594 9.104 -4.704 1.00 0.00 C ATOM 926 O GLN A 70 -3.674 9.905 -4.511 1.00 0.00 O ATOM 927 CB GLN A 70 -6.425 9.786 -6.324 1.00 0.00 C ATOM 928 CG GLN A 70 -6.870 9.779 -7.795 1.00 0.00 C ATOM 929 CD GLN A 70 -7.954 10.819 -8.031 1.00 0.00 C ATOM 930 OE1 GLN A 70 -7.681 12.012 -8.045 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.198 10.419 -8.219 1.00 0.00 N ATOM 0 H GLN A 70 -6.513 7.386 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.398 9.268 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.233 9.410 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.226 10.810 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.016 9.984 -8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.242 8.790 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.421 9.424 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.936 11.105 -8.377 1.00 0.00 H new ATOM 940 N VAL A 71 -5.079 8.348 -3.715 1.00 0.00 N ATOM 941 CA VAL A 71 -4.612 8.442 -2.350 1.00 0.00 C ATOM 942 C VAL A 71 -3.190 7.865 -2.260 1.00 0.00 C ATOM 943 O VAL A 71 -2.342 8.405 -1.555 1.00 0.00 O ATOM 944 CB VAL A 71 -5.654 7.813 -1.393 1.00 0.00 C ATOM 945 CG1 VAL A 71 -5.021 7.706 -0.009 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.850 8.753 -1.210 1.00 0.00 C ATOM 0 H VAL A 71 -5.812 7.652 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.525 9.478 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.965 6.853 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.736 7.265 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.133 7.077 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.741 8.700 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.573 8.295 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.508 9.699 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.321 8.935 -2.176 1.00 0.00 H new ATOM 956 N ARG A 72 -2.883 6.826 -3.037 1.00 0.00 N ATOM 957 CA ARG A 72 -1.568 6.202 -3.104 1.00 0.00 C ATOM 958 C ARG A 72 -0.499 7.138 -3.681 1.00 0.00 C ATOM 959 O ARG A 72 0.683 6.816 -3.579 1.00 0.00 O ATOM 960 CB ARG A 72 -1.735 4.884 -3.887 1.00 0.00 C ATOM 961 CG ARG A 72 -0.501 3.988 -3.938 1.00 0.00 C ATOM 962 CD ARG A 72 -0.854 2.635 -4.580 1.00 0.00 C ATOM 963 NE ARG A 72 0.202 1.642 -4.346 1.00 0.00 N ATOM 964 CZ ARG A 72 1.476 1.747 -4.735 1.00 0.00 C ATOM 965 NH1 ARG A 72 1.843 2.597 -5.688 1.00 0.00 N ATOM 966 NH2 ARG A 72 2.383 0.985 -4.142 1.00 0.00 N ATOM 0 H ARG A 72 -3.565 6.385 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.194 5.983 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.554 4.319 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.031 5.124 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.288 4.476 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.114 3.831 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.796 2.271 -4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.002 2.766 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.061 0.796 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.146 3.188 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.822 2.658 -5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.102 0.337 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.362 1.047 -4.421 1.00 0.00 H new ATOM 980 N ALA A 73 -0.871 8.277 -4.274 1.00 0.00 N ATOM 981 CA ALA A 73 0.094 9.285 -4.700 1.00 0.00 C ATOM 982 C ALA A 73 0.431 10.243 -3.551 1.00 0.00 C ATOM 983 O ALA A 73 1.596 10.601 -3.356 1.00 0.00 O ATOM 984 CB ALA A 73 -0.491 10.064 -5.878 1.00 0.00 C ATOM 0 H ALA A 73 -1.842 8.521 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 73 1.016 8.789 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.223 10.820 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.696 9.379 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.418 10.548 -5.570 1.00 0.00 H new ATOM 990 N GLN A 74 -0.590 10.691 -2.813 1.00 0.00 N ATOM 991 CA GLN A 74 -0.466 11.641 -1.719 1.00 0.00 C ATOM 992 C GLN A 74 -0.062 10.876 -0.457 1.00 0.00 C ATOM 993 O GLN A 74 -0.884 10.475 0.374 1.00 0.00 O ATOM 994 CB GLN A 74 -1.734 12.503 -1.621 1.00 0.00 C ATOM 995 CG GLN A 74 -3.045 11.783 -1.300 1.00 0.00 C ATOM 996 CD GLN A 74 -4.231 12.559 -1.858 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.814 13.417 -1.193 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.579 12.290 -3.109 1.00 0.00 N ATOM 0 H GLN A 74 -1.552 10.389 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 74 0.328 12.368 -1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.569 13.261 -0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.860 13.028 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.028 10.779 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.151 11.672 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.078 11.574 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.348 12.799 -3.545 1.00 0.00 H new ATOM 1007 N SER A 75 1.229 10.573 -0.393 1.00 0.00 N ATOM 1008 CA SER A 75 1.864 9.781 0.636 1.00 0.00 C ATOM 1009 C SER A 75 3.282 10.333 0.784 1.00 0.00 C ATOM 1010 O SER A 75 4.075 10.169 -0.138 1.00 0.00 O ATOM 1011 CB SER A 75 1.848 8.307 0.185 1.00 0.00 C ATOM 1012 OG SER A 75 0.575 7.880 -0.294 1.00 0.00 O ATOM 0 H SER A 75 1.891 10.894 -1.099 1.00 0.00 H new ATOM 0 HA SER A 75 1.357 9.831 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.590 8.166 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.145 7.675 1.022 1.00 0.00 H new ATOM 0 HG SER A 75 0.432 6.941 -0.051 1.00 0.00 H new ATOM 1018 N LEU A 76 3.579 11.113 1.828 1.00 0.00 N ATOM 1019 CA LEU A 76 4.848 11.833 1.945 1.00 0.00 C ATOM 1020 C LEU A 76 5.991 10.998 2.501 1.00 0.00 C ATOM 1021 O LEU A 76 7.141 11.263 2.147 1.00 0.00 O ATOM 1022 CB LEU A 76 4.673 13.091 2.812 1.00 0.00 C ATOM 1023 CG LEU A 76 4.290 14.308 1.958 1.00 0.00 C ATOM 1024 CD1 LEU A 76 3.828 15.455 2.849 1.00 0.00 C ATOM 1025 CD2 LEU A 76 5.472 14.816 1.124 1.00 0.00 C ATOM 0 H LEU A 76 2.946 11.262 2.614 1.00 0.00 H new ATOM 0 HA LEU A 76 5.123 12.101 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.903 12.914 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.599 13.297 3.348 1.00 0.00 H new ATOM 0 HG LEU A 76 3.490 13.983 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.560 16.311 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.960 15.139 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.634 15.736 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.158 15.678 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.287 15.107 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.813 14.025 0.456 1.00 0.00 H new ATOM 1037 N ALA A 77 5.726 10.024 3.364 1.00 0.00 N ATOM 1038 CA ALA A 77 6.755 9.192 3.963 1.00 0.00 C ATOM 1039 C ALA A 77 7.564 8.436 2.908 1.00 0.00 C ATOM 1040 O ALA A 77 8.771 8.292 3.090 1.00 0.00 O ATOM 1041 CB ALA A 77 6.128 8.243 4.981 1.00 0.00 C ATOM 0 H ALA A 77 4.781 9.790 3.668 1.00 0.00 H new ATOM 0 HA ALA A 77 7.460 9.841 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.905 7.622 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.634 8.822 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.396 7.607 4.483 1.00 0.00 H new ATOM 1047 N GLU A 78 6.962 7.991 1.798 1.00 0.00 N ATOM 1048 CA GLU A 78 7.733 7.375 0.709 1.00 0.00 C ATOM 1049 C GLU A 78 8.750 8.373 0.135 1.00 0.00 C ATOM 1050 O GLU A 78 9.903 8.028 -0.124 1.00 0.00 O ATOM 1051 CB GLU A 78 6.809 6.792 -0.384 1.00 0.00 C ATOM 1052 CG GLU A 78 5.902 7.802 -1.110 1.00 0.00 C ATOM 1053 CD GLU A 78 6.125 7.991 -2.625 1.00 0.00 C ATOM 1054 OE1 GLU A 78 7.145 7.560 -3.214 1.00 0.00 O ATOM 1055 OE2 GLU A 78 5.232 8.587 -3.269 1.00 0.00 O ATOM 0 H GLU A 78 5.957 8.044 1.630 1.00 0.00 H new ATOM 0 HA GLU A 78 8.292 6.535 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.429 6.291 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.178 6.029 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.867 7.497 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.023 8.772 -0.628 1.00 0.00 H new ATOM 1062 N LYS A 79 8.341 9.635 -0.022 1.00 0.00 N ATOM 1063 CA LYS A 79 9.130 10.691 -0.650 1.00 0.00 C ATOM 1064 C LYS A 79 10.259 11.141 0.274 1.00 0.00 C ATOM 1065 O LYS A 79 11.287 11.631 -0.202 1.00 0.00 O ATOM 1066 CB LYS A 79 8.235 11.884 -1.031 1.00 0.00 C ATOM 1067 CG LYS A 79 6.930 11.431 -1.700 1.00 0.00 C ATOM 1068 CD LYS A 79 6.119 12.581 -2.297 1.00 0.00 C ATOM 1069 CE LYS A 79 4.640 12.208 -2.408 1.00 0.00 C ATOM 1070 NZ LYS A 79 4.382 11.152 -3.413 1.00 0.00 N ATOM 0 H LYS A 79 7.426 9.956 0.294 1.00 0.00 H new ATOM 0 HA LYS A 79 9.572 10.290 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.003 12.463 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.779 12.544 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.164 10.715 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.317 10.908 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.228 13.469 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.509 12.833 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.282 11.871 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.066 13.097 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.362 10.954 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.711 11.473 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.892 10.286 -3.145 1.00 0.00 H new ATOM 1084 N ASN A 80 10.060 11.021 1.588 1.00 0.00 N ATOM 1085 CA ASN A 80 11.029 11.382 2.606 1.00 0.00 C ATOM 1086 C ASN A 80 11.935 10.196 2.964 1.00 0.00 C ATOM 1087 O ASN A 80 12.947 10.412 3.629 1.00 0.00 O ATOM 1088 CB ASN A 80 10.290 11.919 3.842 1.00 0.00 C ATOM 1089 CG ASN A 80 9.782 13.343 3.650 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.489 14.327 3.878 1.00 0.00 O ATOM 1091 ND2 ASN A 80 8.554 13.503 3.189 1.00 0.00 N ATOM 0 H ASN A 80 9.190 10.658 1.978 1.00 0.00 H new ATOM 0 HA ASN A 80 11.679 12.165 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.448 11.265 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.959 11.889 4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.190 14.441 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.970 12.688 3.001 1.00 0.00 H new ATOM 1098 N ALA A 81 11.610 8.973 2.529 1.00 0.00 N ATOM 1099 CA ALA A 81 12.491 7.811 2.590 1.00 0.00 C ATOM 1100 C ALA A 81 13.473 7.826 1.412 1.00 0.00 C ATOM 1101 O ALA A 81 13.479 8.755 0.596 1.00 0.00 O ATOM 1102 CB ALA A 81 11.646 6.529 2.583 1.00 0.00 C ATOM 0 H ALA A 81 10.702 8.763 2.115 1.00 0.00 H new ATOM 0 HA ALA A 81 13.072 7.844 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.303 5.660 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.981 6.527 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.054 6.489 1.669 1.00 0.00 H new ATOM 1108 N GLN A 82 14.306 6.788 1.324 1.00 0.00 N ATOM 1109 CA GLN A 82 15.254 6.550 0.245 1.00 0.00 C ATOM 1110 C GLN A 82 15.588 5.061 0.174 1.00 0.00 C ATOM 1111 O GLN A 82 15.036 4.270 0.937 1.00 0.00 O ATOM 1112 CB GLN A 82 16.480 7.452 0.429 1.00 0.00 C ATOM 1113 CG GLN A 82 17.363 7.145 1.647 1.00 0.00 C ATOM 1114 CD GLN A 82 18.553 6.258 1.308 1.00 0.00 C ATOM 1115 OE1 GLN A 82 19.328 6.579 0.407 1.00 0.00 O ATOM 1116 NE2 GLN A 82 18.715 5.149 2.002 1.00 0.00 N ATOM 0 H GLN A 82 14.336 6.060 2.038 1.00 0.00 H new ATOM 0 HA GLN A 82 14.819 6.814 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.095 7.383 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.139 8.485 0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.724 8.081 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.760 6.658 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.056 4.910 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.500 4.530 1.798 1.00 0.00 H new ATOM 1125 N VAL A 83 16.468 4.686 -0.752 1.00 0.00 N ATOM 1126 CA VAL A 83 16.800 3.298 -1.050 1.00 0.00 C ATOM 1127 C VAL A 83 18.293 3.078 -0.815 1.00 0.00 C ATOM 1128 O VAL A 83 19.129 3.811 -1.352 1.00 0.00 O ATOM 1129 CB VAL A 83 16.378 2.973 -2.492 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.666 1.510 -2.833 1.00 0.00 C ATOM 1131 CG2 VAL A 83 14.883 3.253 -2.720 1.00 0.00 C ATOM 0 H VAL A 83 16.980 5.355 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 83 16.259 2.619 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 83 16.964 3.621 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 83 16.358 1.308 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 83 17.734 1.316 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 83 16.112 0.862 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.621 3.012 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.290 2.640 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.677 4.306 -2.530 1.00 0.00 H new ATOM 1141 N VAL A 84 18.618 2.057 -0.024 1.00 0.00 N ATOM 1142 CA VAL A 84 19.995 1.666 0.258 1.00 0.00 C ATOM 1143 C VAL A 84 20.575 0.900 -0.923 1.00 0.00 C ATOM 1144 O VAL A 84 19.801 0.388 -1.760 1.00 0.00 O ATOM 1145 CB VAL A 84 20.071 0.885 1.583 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.807 1.820 2.773 1.00 0.00 C ATOM 1147 CG2 VAL A 84 19.086 -0.290 1.643 1.00 0.00 C ATOM 0 H VAL A 84 17.924 1.473 0.443 1.00 0.00 H new ATOM 0 HA VAL A 84 20.611 2.556 0.388 1.00 0.00 H new ATOM 0 HB VAL A 84 21.080 0.476 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.864 1.252 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 84 20.555 2.613 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.814 2.259 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.187 -0.801 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.067 0.083 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.303 -0.988 0.834 1.00 0.00 H new TER 1157 VAL A 84