USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 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 39:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 47:sc= 0.474 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 TYR OH : rot 178:sc= 0.069 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 74:sc= -0.45 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -45:sc= 0.12 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 35 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.019) USER MOD Single : A 46 MET CE :methyl -165:sc=-0.000225 (180deg=-0.188) USER MOD Single : A 54 ASN : amide:sc= -11.2! C(o=-11!,f=-24!) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.763 (180deg=-1.89!) USER MOD Single : A 58 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.777 K(o=-0.78,f=-2!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -55:sc= 0.0109 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.134 -19.490 -7.863 1.00 0.00 N ATOM 2 CA GLY A 1 3.884 -19.420 -7.129 1.00 0.00 C ATOM 3 C GLY A 1 3.017 -18.258 -7.571 1.00 0.00 C ATOM 4 O GLY A 1 2.309 -18.349 -8.574 1.00 0.00 O ATOM 0 H1 GLY A 1 5.691 -20.301 -7.524 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.935 -19.606 -8.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.673 -18.613 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.334 -20.351 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.096 -19.327 -6.064 1.00 0.00 H new ATOM 8 N SER A 2 3.070 -17.162 -6.820 1.00 0.00 N ATOM 9 CA SER A 2 2.279 -15.979 -7.136 1.00 0.00 C ATOM 10 C SER A 2 2.532 -15.524 -8.571 1.00 0.00 C ATOM 11 O SER A 2 3.679 -15.377 -8.994 1.00 0.00 O ATOM 12 CB SER A 2 2.608 -14.845 -6.164 1.00 0.00 C ATOM 13 OG SER A 2 2.063 -15.098 -4.881 1.00 0.00 O ATOM 0 H SER A 2 3.653 -17.069 -5.988 1.00 0.00 H new ATOM 0 HA SER A 2 1.225 -16.239 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.689 -14.730 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.214 -13.905 -6.551 1.00 0.00 H new ATOM 0 HG SER A 2 2.289 -14.359 -4.278 1.00 0.00 H new ATOM 19 N SER A 3 1.453 -15.303 -9.314 1.00 0.00 N ATOM 20 CA SER A 3 1.556 -14.868 -10.702 1.00 0.00 C ATOM 21 C SER A 3 0.311 -14.095 -11.123 1.00 0.00 C ATOM 22 O SER A 3 -0.803 -14.418 -10.714 1.00 0.00 O ATOM 23 CB SER A 3 1.757 -16.074 -11.622 1.00 0.00 C ATOM 24 OG SER A 3 1.910 -15.666 -12.971 1.00 0.00 O ATOM 0 H SER A 3 0.497 -15.418 -8.978 1.00 0.00 H new ATOM 0 HA SER A 3 2.418 -14.207 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.637 -16.634 -11.306 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.904 -16.747 -11.537 1.00 0.00 H new ATOM 0 HG SER A 3 2.039 -16.454 -13.539 1.00 0.00 H new ATOM 30 N GLY A 4 0.509 -13.069 -11.945 1.00 0.00 N ATOM 31 CA GLY A 4 -0.606 -12.264 -12.409 1.00 0.00 C ATOM 32 C GLY A 4 -1.341 -12.904 -13.570 1.00 0.00 C ATOM 33 O GLY A 4 -0.986 -13.997 -14.011 1.00 0.00 O ATOM 0 H GLY A 4 1.422 -12.781 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.302 -12.105 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.240 -11.283 -12.711 1.00 0.00 H new ATOM 37 N SER A 5 -2.370 -12.224 -14.065 1.00 0.00 N ATOM 38 CA SER A 5 -3.160 -12.736 -15.178 1.00 0.00 C ATOM 39 C SER A 5 -3.254 -11.705 -16.298 1.00 0.00 C ATOM 40 O SER A 5 -3.347 -10.504 -16.045 1.00 0.00 O ATOM 41 CB SER A 5 -4.563 -13.118 -14.702 1.00 0.00 C ATOM 42 OG SER A 5 -4.531 -14.292 -13.910 1.00 0.00 O ATOM 0 H SER A 5 -2.676 -11.317 -13.713 1.00 0.00 H new ATOM 0 HA SER A 5 -2.661 -13.624 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.990 -12.298 -14.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.213 -13.274 -15.563 1.00 0.00 H new ATOM 0 HG SER A 5 -5.439 -14.514 -13.617 1.00 0.00 H new ATOM 48 N SER A 6 -3.227 -12.183 -17.538 1.00 0.00 N ATOM 49 CA SER A 6 -3.305 -11.303 -18.699 1.00 0.00 C ATOM 50 C SER A 6 -4.503 -10.365 -18.589 1.00 0.00 C ATOM 51 O SER A 6 -5.630 -10.738 -18.911 1.00 0.00 O ATOM 52 CB SER A 6 -3.404 -12.127 -19.984 1.00 0.00 C ATOM 53 OG SER A 6 -4.611 -12.867 -20.024 1.00 0.00 O ATOM 0 H SER A 6 -3.152 -13.175 -17.765 1.00 0.00 H new ATOM 0 HA SER A 6 -2.396 -10.702 -18.731 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.351 -11.466 -20.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.555 -12.807 -20.050 1.00 0.00 H new ATOM 0 HG SER A 6 -5.339 -12.326 -19.653 1.00 0.00 H new ATOM 59 N GLY A 7 -4.250 -9.142 -18.133 1.00 0.00 N ATOM 60 CA GLY A 7 -5.316 -8.168 -17.988 1.00 0.00 C ATOM 61 C GLY A 7 -4.830 -6.859 -17.398 1.00 0.00 C ATOM 62 O GLY A 7 -4.445 -5.945 -18.128 1.00 0.00 O ATOM 0 H GLY A 7 -3.325 -8.808 -17.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.766 -7.979 -18.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.098 -8.582 -17.351 1.00 0.00 H new ATOM 66 N THR A 8 -4.848 -6.766 -16.072 1.00 0.00 N ATOM 67 CA THR A 8 -4.408 -5.559 -15.384 1.00 0.00 C ATOM 68 C THR A 8 -2.947 -5.667 -14.963 1.00 0.00 C ATOM 69 O THR A 8 -2.640 -6.138 -13.867 1.00 0.00 O ATOM 70 CB THR A 8 -5.270 -5.276 -14.140 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.322 -6.439 -13.305 1.00 0.00 O ATOM 72 CG2 THR A 8 -6.681 -4.870 -14.539 1.00 0.00 C ATOM 0 H THR A 8 -5.163 -7.513 -15.453 1.00 0.00 H new ATOM 0 HA THR A 8 -4.519 -4.735 -16.089 1.00 0.00 H new ATOM 0 HB THR A 8 -4.814 -4.453 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.418 -6.799 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.271 -4.675 -13.643 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.641 -3.968 -15.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.144 -5.675 -15.110 1.00 0.00 H new ATOM 80 N LEU A 9 -2.050 -5.228 -15.838 1.00 0.00 N ATOM 81 CA LEU A 9 -0.619 -5.275 -15.556 1.00 0.00 C ATOM 82 C LEU A 9 -0.204 -4.115 -14.657 1.00 0.00 C ATOM 83 O LEU A 9 -0.202 -2.959 -15.080 1.00 0.00 O ATOM 84 CB LEU A 9 0.179 -5.236 -16.860 1.00 0.00 C ATOM 85 CG LEU A 9 0.300 -6.562 -17.613 1.00 0.00 C ATOM 86 CD1 LEU A 9 -1.002 -6.890 -18.327 1.00 0.00 C ATOM 87 CD2 LEU A 9 1.455 -6.509 -18.603 1.00 0.00 C ATOM 0 H LEU A 9 -2.288 -4.835 -16.749 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.406 -6.209 -15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.283 -4.505 -17.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.183 -4.875 -16.638 1.00 0.00 H new ATOM 0 HG LEU A 9 0.503 -7.352 -16.890 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.898 -7.837 -18.857 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.807 -6.970 -17.597 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.236 -6.099 -19.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.527 -7.461 -19.130 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.282 -5.708 -19.322 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.385 -6.320 -18.067 1.00 0.00 H new ATOM 99 N ARG A 10 0.151 -4.433 -13.416 1.00 0.00 N ATOM 100 CA ARG A 10 0.570 -3.418 -12.458 1.00 0.00 C ATOM 101 C ARG A 10 1.960 -2.888 -12.799 1.00 0.00 C ATOM 102 O ARG A 10 2.897 -3.660 -12.998 1.00 0.00 O ATOM 103 CB ARG A 10 0.566 -3.992 -11.040 1.00 0.00 C ATOM 104 CG ARG A 10 -0.800 -4.478 -10.584 1.00 0.00 C ATOM 105 CD ARG A 10 -1.612 -3.355 -9.958 1.00 0.00 C ATOM 106 NE ARG A 10 -3.046 -3.624 -10.005 1.00 0.00 N ATOM 107 CZ ARG A 10 -3.661 -4.477 -9.193 1.00 0.00 C ATOM 108 NH1 ARG A 10 -2.970 -5.138 -8.275 1.00 0.00 N ATOM 109 NH2 ARG A 10 -4.970 -4.668 -9.297 1.00 0.00 N ATOM 0 H ARG A 10 0.157 -5.385 -13.051 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.138 -2.591 -12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.272 -4.821 -10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.921 -3.229 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.343 -4.890 -11.434 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.677 -5.286 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.303 -3.218 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.401 -2.421 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.607 -3.130 -10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.964 -4.992 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.444 -5.792 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.505 -4.160 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.441 -5.323 -8.673 1.00 0.00 H new ATOM 123 N ASN A 11 2.084 -1.567 -12.867 1.00 0.00 N ATOM 124 CA ASN A 11 3.359 -0.934 -13.185 1.00 0.00 C ATOM 125 C ASN A 11 3.908 -0.178 -11.979 1.00 0.00 C ATOM 126 O ASN A 11 3.721 1.033 -11.855 1.00 0.00 O ATOM 127 CB ASN A 11 3.196 0.021 -14.369 1.00 0.00 C ATOM 128 CG ASN A 11 2.833 -0.703 -15.651 1.00 0.00 C ATOM 129 OD1 ASN A 11 2.937 -1.927 -15.736 1.00 0.00 O ATOM 130 ND2 ASN A 11 2.404 0.052 -16.656 1.00 0.00 N ATOM 0 H ASN A 11 1.317 -0.914 -12.706 1.00 0.00 H new ATOM 0 HA ASN A 11 4.068 -1.717 -13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.423 0.754 -14.137 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.124 0.573 -14.517 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.145 -0.379 -17.543 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.334 1.063 -16.540 1.00 0.00 H new ATOM 137 N TYR A 12 4.585 -0.900 -11.093 1.00 0.00 N ATOM 138 CA TYR A 12 5.159 -0.298 -9.896 1.00 0.00 C ATOM 139 C TYR A 12 6.331 0.612 -10.252 1.00 0.00 C ATOM 140 O TYR A 12 7.016 0.422 -11.257 1.00 0.00 O ATOM 141 CB TYR A 12 5.621 -1.386 -8.925 1.00 0.00 C ATOM 142 CG TYR A 12 4.507 -2.294 -8.458 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.239 -1.791 -8.192 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.721 -3.656 -8.283 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.218 -2.617 -7.764 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.705 -4.490 -7.858 1.00 0.00 C ATOM 147 CZ TYR A 12 2.456 -3.966 -7.599 1.00 0.00 C ATOM 148 OH TYR A 12 1.440 -4.792 -7.174 1.00 0.00 O ATOM 0 H TYR A 12 4.750 -1.903 -11.181 1.00 0.00 H new ATOM 0 HA TYR A 12 4.387 0.304 -9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.391 -1.988 -9.407 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.082 -0.915 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.049 -0.736 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.698 -4.070 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.239 -2.209 -7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.888 -5.547 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 12 1.763 -5.717 -7.141 1.00 0.00 H new ATOM 158 N PRO A 13 6.567 1.627 -9.408 1.00 0.00 N ATOM 159 CA PRO A 13 5.758 1.865 -8.209 1.00 0.00 C ATOM 160 C PRO A 13 4.350 2.344 -8.545 1.00 0.00 C ATOM 161 O PRO A 13 4.117 2.922 -9.607 1.00 0.00 O ATOM 162 CB PRO A 13 6.533 2.958 -7.469 1.00 0.00 C ATOM 163 CG PRO A 13 7.299 3.666 -8.533 1.00 0.00 C ATOM 164 CD PRO A 13 7.643 2.622 -9.559 1.00 0.00 C ATOM 0 HA PRO A 13 5.616 0.955 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.859 3.638 -6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.199 2.532 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.705 4.466 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.200 4.125 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.665 3.040 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.624 2.184 -9.374 1.00 0.00 H new ATOM 172 N LEU A 14 3.415 2.101 -7.634 1.00 0.00 N ATOM 173 CA LEU A 14 2.028 2.509 -7.833 1.00 0.00 C ATOM 174 C LEU A 14 1.502 3.263 -6.617 1.00 0.00 C ATOM 175 O LEU A 14 1.342 2.691 -5.538 1.00 0.00 O ATOM 176 CB LEU A 14 1.151 1.286 -8.108 1.00 0.00 C ATOM 177 CG LEU A 14 1.025 0.867 -9.573 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.147 -0.369 -9.701 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.466 2.009 -10.409 1.00 0.00 C ATOM 0 H LEU A 14 3.591 1.624 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 14 1.991 3.176 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.550 0.443 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.152 1.486 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 14 2.019 0.622 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.069 -0.653 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.589 -1.189 -9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.847 -0.152 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.383 1.692 -11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.520 2.286 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.133 2.868 -10.343 1.00 0.00 H new ATOM 191 N THR A 15 1.231 4.553 -6.798 1.00 0.00 N ATOM 192 CA THR A 15 0.722 5.386 -5.716 1.00 0.00 C ATOM 193 C THR A 15 -0.744 5.080 -5.430 1.00 0.00 C ATOM 194 O THR A 15 -1.591 5.168 -6.321 1.00 0.00 O ATOM 195 CB THR A 15 0.868 6.884 -6.043 1.00 0.00 C ATOM 196 OG1 THR A 15 2.124 7.123 -6.689 1.00 0.00 O ATOM 197 CG2 THR A 15 0.773 7.726 -4.780 1.00 0.00 C ATOM 0 H THR A 15 1.356 5.043 -7.684 1.00 0.00 H new ATOM 0 HA THR A 15 1.318 5.155 -4.833 1.00 0.00 H new ATOM 0 HB THR A 15 0.055 7.169 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.209 8.077 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.879 8.780 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.195 7.563 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.567 7.439 -4.091 1.00 0.00 H new ATOM 205 N CYS A 16 -1.037 4.722 -4.185 1.00 0.00 N ATOM 206 CA CYS A 16 -2.403 4.404 -3.783 1.00 0.00 C ATOM 207 C CYS A 16 -2.934 5.439 -2.796 1.00 0.00 C ATOM 208 O CYS A 16 -2.217 6.355 -2.394 1.00 0.00 O ATOM 209 CB CYS A 16 -2.460 3.009 -3.158 1.00 0.00 C ATOM 210 SG CYS A 16 -1.173 2.698 -1.927 1.00 0.00 S ATOM 0 H CYS A 16 -0.348 4.645 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.032 4.422 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.435 2.872 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.378 2.264 -3.950 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.452 3.345 -0.834 1.00 0.00 H new ATOM 216 N LYS A 17 -4.197 5.287 -2.411 1.00 0.00 N ATOM 217 CA LYS A 17 -4.826 6.207 -1.472 1.00 0.00 C ATOM 218 C LYS A 17 -5.522 5.447 -0.347 1.00 0.00 C ATOM 219 O LYS A 17 -6.521 4.764 -0.572 1.00 0.00 O ATOM 220 CB LYS A 17 -5.835 7.099 -2.199 1.00 0.00 C ATOM 221 CG LYS A 17 -6.687 7.941 -1.264 1.00 0.00 C ATOM 222 CD LYS A 17 -6.013 9.261 -0.931 1.00 0.00 C ATOM 223 CE LYS A 17 -6.925 10.162 -0.114 1.00 0.00 C ATOM 224 NZ LYS A 17 -6.303 11.490 0.149 1.00 0.00 N ATOM 0 H LYS A 17 -4.805 4.535 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.046 6.831 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.299 7.759 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.488 6.473 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.655 8.133 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.877 7.386 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.094 9.072 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.729 9.769 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.867 10.301 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.160 9.677 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.956 12.075 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.416 11.360 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.102 11.964 -0.754 1.00 0.00 H new ATOM 238 N VAL A 18 -4.988 5.570 0.864 1.00 0.00 N ATOM 239 CA VAL A 18 -5.559 4.896 2.023 1.00 0.00 C ATOM 240 C VAL A 18 -6.993 5.351 2.273 1.00 0.00 C ATOM 241 O VAL A 18 -7.228 6.443 2.792 1.00 0.00 O ATOM 242 CB VAL A 18 -4.723 5.154 3.291 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.423 4.589 4.517 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.331 4.558 3.140 1.00 0.00 C ATOM 0 H VAL A 18 -4.160 6.131 1.068 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.552 3.829 1.803 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.621 6.231 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.817 4.781 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.396 5.066 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.558 3.514 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.753 4.749 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.411 3.483 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.830 5.015 2.286 1.00 0.00 H new ATOM 254 N VAL A 19 -7.949 4.507 1.900 1.00 0.00 N ATOM 255 CA VAL A 19 -9.361 4.821 2.085 1.00 0.00 C ATOM 256 C VAL A 19 -9.853 4.359 3.451 1.00 0.00 C ATOM 257 O VAL A 19 -10.868 4.842 3.954 1.00 0.00 O ATOM 258 CB VAL A 19 -10.229 4.170 0.991 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.209 5.010 -0.277 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.754 2.753 0.709 1.00 0.00 C ATOM 0 H VAL A 19 -7.772 3.600 1.468 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.455 5.905 2.016 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.257 4.120 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.827 4.534 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.600 6.004 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.185 5.094 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.378 2.308 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.718 2.777 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.826 2.157 1.619 1.00 0.00 H new ATOM 270 N TYR A 20 -9.127 3.420 4.048 1.00 0.00 N ATOM 271 CA TYR A 20 -9.491 2.889 5.357 1.00 0.00 C ATOM 272 C TYR A 20 -8.280 2.852 6.285 1.00 0.00 C ATOM 273 O TYR A 20 -7.241 2.286 5.946 1.00 0.00 O ATOM 274 CB TYR A 20 -10.082 1.486 5.215 1.00 0.00 C ATOM 275 CG TYR A 20 -11.527 1.480 4.769 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.860 1.618 3.427 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.558 1.334 5.688 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.178 1.614 3.014 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.879 1.327 5.285 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.184 1.468 3.947 1.00 0.00 C ATOM 281 OH TYR A 20 -15.499 1.462 3.540 1.00 0.00 O ATOM 0 H TYR A 20 -8.283 3.011 3.647 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.241 3.549 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.487 0.921 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.004 0.969 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.075 1.730 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.323 1.224 6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.420 1.724 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.668 1.212 6.013 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.082 1.349 4.319 1.00 0.00 H new ATOM 291 N SER A 21 -8.424 3.459 7.459 1.00 0.00 N ATOM 292 CA SER A 21 -7.342 3.499 8.436 1.00 0.00 C ATOM 293 C SER A 21 -6.974 2.092 8.896 1.00 0.00 C ATOM 294 O SER A 21 -7.782 1.168 8.813 1.00 0.00 O ATOM 295 CB SER A 21 -7.746 4.353 9.640 1.00 0.00 C ATOM 296 OG SER A 21 -8.592 3.629 10.517 1.00 0.00 O ATOM 0 H SER A 21 -9.279 3.929 7.756 1.00 0.00 H new ATOM 0 HA SER A 21 -6.470 3.946 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.854 4.678 10.176 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.257 5.253 9.297 1.00 0.00 H new ATOM 0 HG SER A 21 -8.835 4.195 11.279 1.00 0.00 H new ATOM 302 N TYR A 22 -5.747 1.938 9.382 1.00 0.00 N ATOM 303 CA TYR A 22 -5.268 0.644 9.853 1.00 0.00 C ATOM 304 C TYR A 22 -4.016 0.805 10.709 1.00 0.00 C ATOM 305 O TYR A 22 -2.960 1.206 10.218 1.00 0.00 O ATOM 306 CB TYR A 22 -4.974 -0.277 8.668 1.00 0.00 C ATOM 307 CG TYR A 22 -4.495 -1.652 9.074 1.00 0.00 C ATOM 308 CD1 TYR A 22 -3.242 -1.831 9.648 1.00 0.00 C ATOM 309 CD2 TYR A 22 -5.294 -2.773 8.883 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.799 -3.085 10.020 1.00 0.00 C ATOM 311 CE2 TYR A 22 -4.860 -4.031 9.254 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.612 -4.182 9.822 1.00 0.00 C ATOM 313 OH TYR A 22 -3.176 -5.434 10.191 1.00 0.00 O ATOM 0 H TYR A 22 -5.066 2.693 9.460 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.050 0.197 10.466 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.877 -0.379 8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.219 0.189 8.035 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.604 -0.974 9.806 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.271 -2.659 8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.822 -3.206 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.494 -4.891 9.100 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.251 -5.559 9.893 1.00 0.00 H new ATOM 323 N LYS A 23 -4.141 0.489 11.994 1.00 0.00 N ATOM 324 CA LYS A 23 -3.021 0.596 12.921 1.00 0.00 C ATOM 325 C LYS A 23 -2.205 -0.693 12.939 1.00 0.00 C ATOM 326 O LYS A 23 -2.711 -1.753 13.306 1.00 0.00 O ATOM 327 CB LYS A 23 -3.527 0.912 14.330 1.00 0.00 C ATOM 328 CG LYS A 23 -2.505 1.628 15.197 1.00 0.00 C ATOM 329 CD LYS A 23 -2.885 1.572 16.667 1.00 0.00 C ATOM 330 CE LYS A 23 -3.839 2.697 17.039 1.00 0.00 C ATOM 331 NZ LYS A 23 -3.112 3.947 17.393 1.00 0.00 N ATOM 0 H LYS A 23 -5.008 0.157 12.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.377 1.408 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.423 1.528 14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.819 -0.017 14.819 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.524 1.173 15.056 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.423 2.668 14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.350 0.611 16.887 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.986 1.639 17.279 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.513 2.893 16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.457 2.385 17.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.797 4.689 17.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.488 3.767 18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.542 4.259 16.581 1.00 0.00 H new ATOM 345 N ALA A 24 -0.941 -0.593 12.542 1.00 0.00 N ATOM 346 CA ALA A 24 -0.055 -1.750 12.517 1.00 0.00 C ATOM 347 C ALA A 24 0.067 -2.379 13.901 1.00 0.00 C ATOM 348 O ALA A 24 0.126 -1.676 14.910 1.00 0.00 O ATOM 349 CB ALA A 24 1.318 -1.353 11.993 1.00 0.00 C ATOM 0 H ALA A 24 -0.508 0.277 12.233 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.487 -2.492 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.969 -2.227 11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.221 -0.957 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.748 -0.590 12.641 1.00 0.00 H new ATOM 355 N SER A 25 0.104 -3.707 13.942 1.00 0.00 N ATOM 356 CA SER A 25 0.214 -4.431 15.203 1.00 0.00 C ATOM 357 C SER A 25 1.517 -5.222 15.263 1.00 0.00 C ATOM 358 O SER A 25 2.014 -5.536 16.344 1.00 0.00 O ATOM 359 CB SER A 25 -0.978 -5.374 15.380 1.00 0.00 C ATOM 360 OG SER A 25 -2.129 -4.666 15.806 1.00 0.00 O ATOM 0 H SER A 25 0.059 -4.304 13.116 1.00 0.00 H new ATOM 0 HA SER A 25 0.214 -3.702 16.013 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.187 -5.882 14.438 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.731 -6.145 16.110 1.00 0.00 H new ATOM 0 HG SER A 25 -2.877 -5.290 15.910 1.00 0.00 H new ATOM 366 N GLN A 26 2.063 -5.541 14.094 1.00 0.00 N ATOM 367 CA GLN A 26 3.307 -6.296 14.013 1.00 0.00 C ATOM 368 C GLN A 26 4.448 -5.415 13.515 1.00 0.00 C ATOM 369 O GLN A 26 4.237 -4.411 12.833 1.00 0.00 O ATOM 370 CB GLN A 26 3.137 -7.502 13.088 1.00 0.00 C ATOM 371 CG GLN A 26 2.616 -8.743 13.795 1.00 0.00 C ATOM 372 CD GLN A 26 2.959 -10.022 13.057 1.00 0.00 C ATOM 373 OE1 GLN A 26 2.121 -10.592 12.357 1.00 0.00 O ATOM 374 NE2 GLN A 26 4.196 -10.481 13.210 1.00 0.00 N ATOM 0 H GLN A 26 1.663 -5.288 13.190 1.00 0.00 H new ATOM 0 HA GLN A 26 3.555 -6.647 15.015 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.451 -7.238 12.283 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.097 -7.733 12.626 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.033 -8.785 14.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.534 -8.668 13.902 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.858 -9.976 13.800 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.484 -11.338 12.738 1.00 0.00 H new ATOM 383 N PRO A 27 5.686 -5.796 13.862 1.00 0.00 N ATOM 384 CA PRO A 27 6.885 -5.054 13.460 1.00 0.00 C ATOM 385 C PRO A 27 7.163 -5.168 11.965 1.00 0.00 C ATOM 386 O PRO A 27 8.085 -4.539 11.446 1.00 0.00 O ATOM 387 CB PRO A 27 8.002 -5.723 14.264 1.00 0.00 C ATOM 388 CG PRO A 27 7.504 -7.102 14.531 1.00 0.00 C ATOM 389 CD PRO A 27 6.011 -6.982 14.672 1.00 0.00 C ATOM 0 HA PRO A 27 6.786 -3.985 13.650 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.937 -5.741 13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.198 -5.186 15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.766 -7.776 13.716 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.950 -7.510 15.438 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.500 -7.872 14.305 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.715 -6.851 15.713 1.00 0.00 H new ATOM 397 N ASP A 28 6.359 -5.972 11.278 1.00 0.00 N ATOM 398 CA ASP A 28 6.518 -6.166 9.841 1.00 0.00 C ATOM 399 C ASP A 28 5.353 -5.546 9.077 1.00 0.00 C ATOM 400 O ASP A 28 5.112 -5.880 7.917 1.00 0.00 O ATOM 401 CB ASP A 28 6.623 -7.657 9.515 1.00 0.00 C ATOM 402 CG ASP A 28 7.297 -7.912 8.181 1.00 0.00 C ATOM 403 OD1 ASP A 28 7.403 -6.961 7.378 1.00 0.00 O ATOM 404 OD2 ASP A 28 7.719 -9.062 7.940 1.00 0.00 O ATOM 0 H ASP A 28 5.591 -6.500 11.693 1.00 0.00 H new ATOM 0 HA ASP A 28 7.437 -5.669 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.183 -8.160 10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.625 -8.095 9.504 1.00 0.00 H new ATOM 409 N GLU A 29 4.633 -4.644 9.736 1.00 0.00 N ATOM 410 CA GLU A 29 3.491 -3.979 9.118 1.00 0.00 C ATOM 411 C GLU A 29 3.745 -2.481 8.975 1.00 0.00 C ATOM 412 O GLU A 29 4.669 -1.936 9.580 1.00 0.00 O ATOM 413 CB GLU A 29 2.226 -4.216 9.945 1.00 0.00 C ATOM 414 CG GLU A 29 1.520 -5.521 9.618 1.00 0.00 C ATOM 415 CD GLU A 29 0.047 -5.494 9.977 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.707 -4.734 9.335 1.00 0.00 O ATOM 417 OE2 GLU A 29 -0.351 -6.234 10.902 1.00 0.00 O ATOM 0 H GLU A 29 4.820 -4.357 10.697 1.00 0.00 H new ATOM 0 HA GLU A 29 3.351 -4.403 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.487 -4.210 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.535 -3.389 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.627 -5.731 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.006 -6.337 10.154 1.00 0.00 H new ATOM 424 N LEU A 30 2.921 -1.822 8.168 1.00 0.00 N ATOM 425 CA LEU A 30 3.055 -0.387 7.944 1.00 0.00 C ATOM 426 C LEU A 30 1.827 0.361 8.452 1.00 0.00 C ATOM 427 O LEU A 30 0.739 0.249 7.886 1.00 0.00 O ATOM 428 CB LEU A 30 3.261 -0.101 6.455 1.00 0.00 C ATOM 429 CG LEU A 30 4.090 1.139 6.119 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.474 2.380 6.747 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.528 0.962 6.583 1.00 0.00 C ATOM 0 H LEU A 30 2.153 -2.258 7.658 1.00 0.00 H new ATOM 0 HA LEU A 30 3.925 -0.037 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.741 -0.968 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.282 0.003 5.986 1.00 0.00 H new ATOM 0 HG LEU A 30 4.092 1.268 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.078 3.252 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.462 2.517 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.440 2.261 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.103 1.854 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.546 0.807 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.967 0.098 6.085 1.00 0.00 H new ATOM 443 N THR A 31 2.009 1.128 9.524 1.00 0.00 N ATOM 444 CA THR A 31 0.916 1.896 10.108 1.00 0.00 C ATOM 445 C THR A 31 0.416 2.963 9.142 1.00 0.00 C ATOM 446 O THR A 31 1.181 3.824 8.703 1.00 0.00 O ATOM 447 CB THR A 31 1.346 2.571 11.424 1.00 0.00 C ATOM 448 OG1 THR A 31 1.953 1.609 12.293 1.00 0.00 O ATOM 449 CG2 THR A 31 0.152 3.208 12.120 1.00 0.00 C ATOM 0 H THR A 31 2.903 1.233 10.005 1.00 0.00 H new ATOM 0 HA THR A 31 0.110 1.192 10.315 1.00 0.00 H new ATOM 0 HB THR A 31 2.068 3.352 11.187 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.225 2.047 13.127 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.480 3.679 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.290 3.961 11.468 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.590 2.442 12.345 1.00 0.00 H new ATOM 457 N ILE A 32 -0.870 2.902 8.814 1.00 0.00 N ATOM 458 CA ILE A 32 -1.471 3.866 7.901 1.00 0.00 C ATOM 459 C ILE A 32 -2.651 4.579 8.553 1.00 0.00 C ATOM 460 O ILE A 32 -3.079 4.217 9.648 1.00 0.00 O ATOM 461 CB ILE A 32 -1.949 3.189 6.602 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.095 2.219 6.899 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.794 2.463 5.928 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.510 1.391 5.703 1.00 0.00 C ATOM 0 H ILE A 32 -1.516 2.195 9.167 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.698 4.595 7.658 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.316 3.958 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.795 1.551 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.956 2.784 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.147 1.990 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.006 3.177 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.400 1.702 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.326 0.726 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.841 2.051 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.662 0.798 5.359 1.00 0.00 H new ATOM 476 N GLU A 33 -3.174 5.593 7.870 1.00 0.00 N ATOM 477 CA GLU A 33 -4.305 6.356 8.383 1.00 0.00 C ATOM 478 C GLU A 33 -5.094 6.993 7.242 1.00 0.00 C ATOM 479 O GLU A 33 -4.515 7.524 6.295 1.00 0.00 O ATOM 480 CB GLU A 33 -3.823 7.438 9.351 1.00 0.00 C ATOM 481 CG GLU A 33 -3.764 6.978 10.798 1.00 0.00 C ATOM 482 CD GLU A 33 -3.794 8.134 11.779 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.863 8.765 11.921 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.749 8.408 12.405 1.00 0.00 O ATOM 0 H GLU A 33 -2.832 5.904 6.961 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.962 5.669 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.832 7.773 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.487 8.300 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.605 6.314 10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.855 6.397 10.954 1.00 0.00 H new ATOM 491 N GLU A 34 -6.418 6.936 7.342 1.00 0.00 N ATOM 492 CA GLU A 34 -7.286 7.506 6.318 1.00 0.00 C ATOM 493 C GLU A 34 -6.680 8.782 5.740 1.00 0.00 C ATOM 494 O GLU A 34 -6.061 9.569 6.457 1.00 0.00 O ATOM 495 CB GLU A 34 -8.670 7.804 6.898 1.00 0.00 C ATOM 496 CG GLU A 34 -9.764 7.894 5.848 1.00 0.00 C ATOM 497 CD GLU A 34 -11.144 8.055 6.455 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.438 7.360 7.450 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.930 8.874 5.936 1.00 0.00 O ATOM 0 H GLU A 34 -6.913 6.501 8.121 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.386 6.775 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.930 7.025 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.629 8.744 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.561 8.738 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.745 6.995 5.231 1.00 0.00 H new ATOM 506 N HIS A 35 -6.861 8.979 4.438 1.00 0.00 N ATOM 507 CA HIS A 35 -6.332 10.159 3.762 1.00 0.00 C ATOM 508 C HIS A 35 -4.807 10.122 3.718 1.00 0.00 C ATOM 509 O HIS A 35 -4.151 11.161 3.776 1.00 0.00 O ATOM 510 CB HIS A 35 -6.803 11.430 4.468 1.00 0.00 C ATOM 511 CG HIS A 35 -8.281 11.472 4.704 1.00 0.00 C ATOM 512 ND1 HIS A 35 -9.202 11.611 3.688 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.998 11.390 5.850 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.421 11.614 4.198 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.325 11.481 5.508 1.00 0.00 N ATOM 0 H HIS A 35 -7.370 8.337 3.830 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.707 10.160 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.288 11.516 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.514 12.295 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.600 11.275 6.847 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.340 11.709 3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.109 11.451 6.160 1.00 0.00 H new ATOM 524 N GLU A 36 -4.252 8.918 3.616 1.00 0.00 N ATOM 525 CA GLU A 36 -2.805 8.748 3.567 1.00 0.00 C ATOM 526 C GLU A 36 -2.372 8.156 2.228 1.00 0.00 C ATOM 527 O GLU A 36 -2.707 7.016 1.903 1.00 0.00 O ATOM 528 CB GLU A 36 -2.335 7.847 4.711 1.00 0.00 C ATOM 529 CG GLU A 36 -0.872 7.451 4.612 1.00 0.00 C ATOM 530 CD GLU A 36 0.048 8.442 5.299 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.036 8.568 6.539 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.852 9.091 4.597 1.00 0.00 O ATOM 0 H GLU A 36 -4.782 8.048 3.566 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.346 9.731 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.500 8.361 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.947 6.945 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.735 6.465 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.592 7.369 3.562 1.00 0.00 H new ATOM 539 N VAL A 37 -1.626 8.938 1.455 1.00 0.00 N ATOM 540 CA VAL A 37 -1.147 8.493 0.152 1.00 0.00 C ATOM 541 C VAL A 37 0.175 7.744 0.279 1.00 0.00 C ATOM 542 O VAL A 37 1.160 8.283 0.785 1.00 0.00 O ATOM 543 CB VAL A 37 -0.963 9.678 -0.814 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.458 9.194 -2.164 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.266 10.448 -0.967 1.00 0.00 C ATOM 0 H VAL A 37 -1.340 9.884 1.709 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.905 7.821 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.216 10.353 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.334 10.046 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.501 8.692 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.178 8.497 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.117 11.282 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.036 9.785 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.580 10.829 0.005 1.00 0.00 H new ATOM 555 N LEU A 38 0.190 6.499 -0.184 1.00 0.00 N ATOM 556 CA LEU A 38 1.392 5.675 -0.123 1.00 0.00 C ATOM 557 C LEU A 38 1.863 5.294 -1.523 1.00 0.00 C ATOM 558 O LEU A 38 1.223 5.636 -2.517 1.00 0.00 O ATOM 559 CB LEU A 38 1.127 4.412 0.699 1.00 0.00 C ATOM 560 CG LEU A 38 0.562 4.632 2.103 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.301 3.452 2.521 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.688 4.853 3.103 1.00 0.00 C ATOM 0 H LEU A 38 -0.616 6.038 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 38 2.177 6.257 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.433 3.781 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.061 3.857 0.788 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.062 5.525 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.695 3.626 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.128 3.340 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.301 2.543 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.267 5.008 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.339 3.979 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.265 5.731 2.813 1.00 0.00 H new ATOM 574 N GLU A 39 2.984 4.583 -1.592 1.00 0.00 N ATOM 575 CA GLU A 39 3.539 4.155 -2.870 1.00 0.00 C ATOM 576 C GLU A 39 3.922 2.678 -2.830 1.00 0.00 C ATOM 577 O GLU A 39 4.898 2.296 -2.185 1.00 0.00 O ATOM 578 CB GLU A 39 4.762 5.001 -3.230 1.00 0.00 C ATOM 579 CG GLU A 39 5.366 4.655 -4.580 1.00 0.00 C ATOM 580 CD GLU A 39 6.238 5.766 -5.131 1.00 0.00 C ATOM 581 OE1 GLU A 39 5.926 6.948 -4.873 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.231 5.455 -5.821 1.00 0.00 O ATOM 0 H GLU A 39 3.525 4.291 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 39 2.773 4.293 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.479 6.054 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.521 4.873 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.959 3.745 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.565 4.442 -5.288 1.00 0.00 H new ATOM 589 N VAL A 40 3.145 1.852 -3.525 1.00 0.00 N ATOM 590 CA VAL A 40 3.402 0.418 -3.570 1.00 0.00 C ATOM 591 C VAL A 40 4.596 0.101 -4.464 1.00 0.00 C ATOM 592 O VAL A 40 4.589 0.407 -5.657 1.00 0.00 O ATOM 593 CB VAL A 40 2.173 -0.357 -4.079 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.396 -1.856 -3.953 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.923 0.070 -3.324 1.00 0.00 C ATOM 0 H VAL A 40 2.333 2.152 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 40 3.623 0.104 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 40 2.030 -0.123 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.516 -2.387 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.265 -2.145 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.566 -2.112 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.064 -0.488 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.053 -0.132 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.755 1.137 -3.472 1.00 0.00 H new ATOM 605 N ILE A 41 5.618 -0.514 -3.881 1.00 0.00 N ATOM 606 CA ILE A 41 6.818 -0.874 -4.625 1.00 0.00 C ATOM 607 C ILE A 41 6.882 -2.378 -4.872 1.00 0.00 C ATOM 608 O ILE A 41 7.476 -2.831 -5.850 1.00 0.00 O ATOM 609 CB ILE A 41 8.094 -0.432 -3.885 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.065 -0.923 -2.436 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.238 1.082 -3.934 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.312 -0.571 -1.654 1.00 0.00 C ATOM 0 H ILE A 41 5.639 -0.774 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 41 6.764 -0.353 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 41 8.957 -0.875 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.198 -0.495 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.935 -2.005 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.145 1.379 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.299 1.408 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.374 1.545 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.222 -0.950 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.181 -1.021 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.432 0.512 -1.629 1.00 0.00 H new ATOM 624 N GLU A 42 6.265 -3.145 -3.979 1.00 0.00 N ATOM 625 CA GLU A 42 6.252 -4.598 -4.100 1.00 0.00 C ATOM 626 C GLU A 42 4.877 -5.161 -3.751 1.00 0.00 C ATOM 627 O GLU A 42 4.055 -4.482 -3.134 1.00 0.00 O ATOM 628 CB GLU A 42 7.315 -5.218 -3.191 1.00 0.00 C ATOM 629 CG GLU A 42 8.705 -5.235 -3.804 1.00 0.00 C ATOM 630 CD GLU A 42 9.611 -6.270 -3.166 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.384 -6.612 -1.986 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.548 -6.739 -3.847 1.00 0.00 O ATOM 0 H GLU A 42 5.768 -2.785 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 42 6.477 -4.852 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.347 -4.663 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.022 -6.239 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.625 -5.437 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.156 -4.248 -3.699 1.00 0.00 H new ATOM 639 N ASP A 43 4.634 -6.404 -4.150 1.00 0.00 N ATOM 640 CA ASP A 43 3.360 -7.059 -3.879 1.00 0.00 C ATOM 641 C ASP A 43 3.345 -7.661 -2.478 1.00 0.00 C ATOM 642 O ASP A 43 2.472 -8.461 -2.144 1.00 0.00 O ATOM 643 CB ASP A 43 3.091 -8.149 -4.918 1.00 0.00 C ATOM 644 CG ASP A 43 3.700 -7.824 -6.268 1.00 0.00 C ATOM 645 OD1 ASP A 43 4.944 -7.746 -6.355 1.00 0.00 O ATOM 646 OD2 ASP A 43 2.934 -7.649 -7.238 1.00 0.00 O ATOM 0 H ASP A 43 5.303 -6.979 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 43 2.573 -6.307 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.494 -9.096 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.015 -8.282 -5.030 1.00 0.00 H new ATOM 651 N GLY A 44 4.320 -7.271 -1.661 1.00 0.00 N ATOM 652 CA GLY A 44 4.401 -7.783 -0.306 1.00 0.00 C ATOM 653 C GLY A 44 4.821 -9.239 -0.260 1.00 0.00 C ATOM 654 O GLY A 44 5.125 -9.837 -1.292 1.00 0.00 O ATOM 0 H GLY A 44 5.054 -6.610 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.113 -7.185 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.431 -7.672 0.179 1.00 0.00 H new ATOM 658 N ASP A 45 4.840 -9.810 0.939 1.00 0.00 N ATOM 659 CA ASP A 45 5.227 -11.205 1.116 1.00 0.00 C ATOM 660 C ASP A 45 4.023 -12.059 1.501 1.00 0.00 C ATOM 661 O ASP A 45 4.169 -13.112 2.121 1.00 0.00 O ATOM 662 CB ASP A 45 6.315 -11.324 2.184 1.00 0.00 C ATOM 663 CG ASP A 45 5.778 -11.103 3.584 1.00 0.00 C ATOM 664 OD1 ASP A 45 5.256 -10.001 3.853 1.00 0.00 O ATOM 665 OD2 ASP A 45 5.880 -12.033 4.413 1.00 0.00 O ATOM 0 H ASP A 45 4.592 -9.328 1.803 1.00 0.00 H new ATOM 0 HA ASP A 45 5.620 -11.570 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.772 -12.312 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.101 -10.597 1.980 1.00 0.00 H new ATOM 670 N MET A 46 2.833 -11.596 1.132 1.00 0.00 N ATOM 671 CA MET A 46 1.604 -12.317 1.439 1.00 0.00 C ATOM 672 C MET A 46 0.701 -12.400 0.212 1.00 0.00 C ATOM 673 O MET A 46 1.070 -11.951 -0.872 1.00 0.00 O ATOM 674 CB MET A 46 0.861 -11.634 2.589 1.00 0.00 C ATOM 675 CG MET A 46 1.779 -11.121 3.686 1.00 0.00 C ATOM 676 SD MET A 46 2.301 -12.421 4.820 1.00 0.00 S ATOM 677 CE MET A 46 0.807 -12.652 5.781 1.00 0.00 C ATOM 0 H MET A 46 2.694 -10.725 0.620 1.00 0.00 H new ATOM 0 HA MET A 46 1.872 -13.330 1.740 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.282 -10.800 2.192 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.151 -12.339 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.659 -10.664 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.267 -10.339 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.038 -13.219 6.683 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.399 -11.680 6.058 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.073 -13.198 5.188 1.00 0.00 H new ATOM 687 N GLU A 47 -0.484 -12.976 0.393 1.00 0.00 N ATOM 688 CA GLU A 47 -1.438 -13.118 -0.701 1.00 0.00 C ATOM 689 C GLU A 47 -2.464 -11.989 -0.677 1.00 0.00 C ATOM 690 O GLU A 47 -3.106 -11.697 -1.687 1.00 0.00 O ATOM 691 CB GLU A 47 -2.149 -14.470 -0.615 1.00 0.00 C ATOM 692 CG GLU A 47 -3.025 -14.620 0.617 1.00 0.00 C ATOM 693 CD GLU A 47 -3.592 -16.019 0.763 1.00 0.00 C ATOM 694 OE1 GLU A 47 -4.267 -16.487 -0.177 1.00 0.00 O ATOM 695 OE2 GLU A 47 -3.360 -16.645 1.818 1.00 0.00 O ATOM 0 H GLU A 47 -0.806 -13.351 1.285 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.886 -13.065 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.763 -14.605 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.403 -15.264 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.442 -14.374 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.845 -13.903 0.565 1.00 0.00 H new ATOM 702 N ASP A 48 -2.614 -11.358 0.482 1.00 0.00 N ATOM 703 CA ASP A 48 -3.562 -10.261 0.639 1.00 0.00 C ATOM 704 C ASP A 48 -2.884 -9.041 1.255 1.00 0.00 C ATOM 705 O ASP A 48 -3.519 -8.255 1.958 1.00 0.00 O ATOM 706 CB ASP A 48 -4.741 -10.698 1.509 1.00 0.00 C ATOM 707 CG ASP A 48 -6.019 -9.956 1.167 1.00 0.00 C ATOM 708 OD1 ASP A 48 -6.114 -9.427 0.040 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.923 -9.903 2.027 1.00 0.00 O ATOM 0 H ASP A 48 -2.091 -11.587 1.327 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.932 -9.989 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.902 -11.769 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.497 -10.531 2.558 1.00 0.00 H new ATOM 714 N TRP A 49 -1.592 -8.891 0.988 1.00 0.00 N ATOM 715 CA TRP A 49 -0.827 -7.767 1.518 1.00 0.00 C ATOM 716 C TRP A 49 0.281 -7.360 0.553 1.00 0.00 C ATOM 717 O TRP A 49 0.908 -8.208 -0.081 1.00 0.00 O ATOM 718 CB TRP A 49 -0.228 -8.127 2.878 1.00 0.00 C ATOM 719 CG TRP A 49 -1.227 -8.713 3.830 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.906 -9.889 3.685 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.660 -8.149 5.073 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.735 -10.090 4.762 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.602 -9.037 5.628 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.342 -6.981 5.771 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -3.227 -8.791 6.847 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.964 -6.738 6.981 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.897 -7.640 7.510 1.00 0.00 C ATOM 0 H TRP A 49 -1.052 -9.533 0.408 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.506 -6.923 1.640 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.585 -8.838 2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.207 -7.233 3.324 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.806 -10.562 2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.350 -10.893 4.895 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.623 -6.281 5.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.947 -9.484 7.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.727 -5.838 7.528 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.365 -7.423 8.459 1.00 0.00 H new ATOM 738 N VAL A 50 0.517 -6.056 0.446 1.00 0.00 N ATOM 739 CA VAL A 50 1.551 -5.536 -0.441 1.00 0.00 C ATOM 740 C VAL A 50 2.573 -4.711 0.331 1.00 0.00 C ATOM 741 O VAL A 50 2.515 -4.618 1.558 1.00 0.00 O ATOM 742 CB VAL A 50 0.945 -4.667 -1.560 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.019 -5.496 -2.438 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.208 -3.476 -0.968 1.00 0.00 C ATOM 0 H VAL A 50 0.006 -5.340 0.963 1.00 0.00 H new ATOM 0 HA VAL A 50 2.047 -6.397 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 50 1.756 -4.290 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.400 -4.866 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.581 -6.313 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.789 -5.904 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.214 -2.873 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.594 -3.830 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.903 -2.870 -0.386 1.00 0.00 H new ATOM 754 N LYS A 51 3.511 -4.111 -0.394 1.00 0.00 N ATOM 755 CA LYS A 51 4.548 -3.291 0.221 1.00 0.00 C ATOM 756 C LYS A 51 4.475 -1.853 -0.285 1.00 0.00 C ATOM 757 O LYS A 51 4.663 -1.593 -1.473 1.00 0.00 O ATOM 758 CB LYS A 51 5.931 -3.876 -0.071 1.00 0.00 C ATOM 759 CG LYS A 51 6.956 -3.585 1.011 1.00 0.00 C ATOM 760 CD LYS A 51 8.269 -4.300 0.742 1.00 0.00 C ATOM 761 CE LYS A 51 8.995 -4.637 2.036 1.00 0.00 C ATOM 762 NZ LYS A 51 10.132 -5.572 1.807 1.00 0.00 N ATOM 0 H LYS A 51 3.574 -4.177 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 51 4.383 -3.288 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.841 -4.955 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.292 -3.477 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.131 -2.511 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.563 -3.896 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.078 -5.215 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.906 -3.672 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.366 -3.720 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.293 -5.084 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.601 -5.777 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.776 -6.457 1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.815 -5.135 1.155 1.00 0.00 H new ATOM 776 N ALA A 52 4.204 -0.924 0.625 1.00 0.00 N ATOM 777 CA ALA A 52 4.111 0.487 0.272 1.00 0.00 C ATOM 778 C ALA A 52 4.941 1.346 1.219 1.00 0.00 C ATOM 779 O ALA A 52 5.013 1.074 2.418 1.00 0.00 O ATOM 780 CB ALA A 52 2.658 0.939 0.283 1.00 0.00 C ATOM 0 H ALA A 52 4.045 -1.123 1.613 1.00 0.00 H new ATOM 0 HA ALA A 52 4.511 0.611 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.603 1.995 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.089 0.353 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.239 0.793 1.279 1.00 0.00 H new ATOM 786 N ARG A 53 5.567 2.384 0.674 1.00 0.00 N ATOM 787 CA ARG A 53 6.394 3.282 1.471 1.00 0.00 C ATOM 788 C ARG A 53 5.680 4.609 1.712 1.00 0.00 C ATOM 789 O ARG A 53 5.121 5.200 0.789 1.00 0.00 O ATOM 790 CB ARG A 53 7.733 3.530 0.774 1.00 0.00 C ATOM 791 CG ARG A 53 8.649 4.476 1.533 1.00 0.00 C ATOM 792 CD ARG A 53 9.949 4.715 0.782 1.00 0.00 C ATOM 793 NE ARG A 53 10.958 3.707 1.097 1.00 0.00 N ATOM 794 CZ ARG A 53 12.256 3.869 0.866 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.701 4.993 0.321 1.00 0.00 N ATOM 796 NH2 ARG A 53 13.112 2.906 1.181 1.00 0.00 N ATOM 0 H ARG A 53 5.517 2.624 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 53 6.576 2.807 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.243 2.577 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.546 3.938 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.140 5.427 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.867 4.061 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.754 4.710 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.335 5.704 1.031 1.00 0.00 H new ATOM 0 HE ARG A 53 10.649 2.831 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.046 5.736 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.698 5.114 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.774 2.040 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.109 3.031 1.003 1.00 0.00 H new ATOM 810 N ASN A 54 5.704 5.071 2.958 1.00 0.00 N ATOM 811 CA ASN A 54 5.059 6.328 3.320 1.00 0.00 C ATOM 812 C ASN A 54 6.003 7.506 3.104 1.00 0.00 C ATOM 813 O ASN A 54 7.211 7.328 2.946 1.00 0.00 O ATOM 814 CB ASN A 54 4.600 6.287 4.779 1.00 0.00 C ATOM 815 CG ASN A 54 5.477 5.395 5.636 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.627 5.122 5.293 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.935 4.935 6.758 1.00 0.00 N ATOM 0 H ASN A 54 6.163 4.594 3.734 1.00 0.00 H new ATOM 0 HA ASN A 54 4.190 6.461 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.605 7.298 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.571 5.931 4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.476 4.329 7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.977 5.187 7.003 1.00 0.00 H new ATOM 824 N LYS A 55 5.444 8.712 3.099 1.00 0.00 N ATOM 825 CA LYS A 55 6.234 9.921 2.904 1.00 0.00 C ATOM 826 C LYS A 55 7.440 9.939 3.838 1.00 0.00 C ATOM 827 O LYS A 55 8.475 10.526 3.520 1.00 0.00 O ATOM 828 CB LYS A 55 5.372 11.163 3.145 1.00 0.00 C ATOM 829 CG LYS A 55 5.114 11.449 4.614 1.00 0.00 C ATOM 830 CD LYS A 55 3.830 10.792 5.093 1.00 0.00 C ATOM 831 CE LYS A 55 2.616 11.657 4.795 1.00 0.00 C ATOM 832 NZ LYS A 55 2.154 11.500 3.388 1.00 0.00 N ATOM 0 H LYS A 55 4.446 8.877 3.228 1.00 0.00 H new ATOM 0 HA LYS A 55 6.592 9.928 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.861 12.027 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.417 11.037 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.953 11.087 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.053 12.526 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.714 9.822 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.892 10.608 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.806 11.392 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.860 12.703 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.126 11.654 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.636 12.196 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.376 10.540 3.055 1.00 0.00 H new ATOM 846 N VAL A 56 7.301 9.291 4.990 1.00 0.00 N ATOM 847 CA VAL A 56 8.380 9.230 5.968 1.00 0.00 C ATOM 848 C VAL A 56 9.520 8.345 5.475 1.00 0.00 C ATOM 849 O VAL A 56 10.680 8.557 5.824 1.00 0.00 O ATOM 850 CB VAL A 56 7.880 8.696 7.323 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.174 9.795 8.103 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.961 7.502 7.119 1.00 0.00 C ATOM 0 H VAL A 56 6.451 8.801 5.269 1.00 0.00 H new ATOM 0 HA VAL A 56 8.745 10.249 6.100 1.00 0.00 H new ATOM 0 HB VAL A 56 8.742 8.367 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.828 9.399 9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.867 10.617 8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.321 10.157 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.617 7.138 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.102 7.802 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.504 6.709 6.605 1.00 0.00 H new ATOM 862 N GLY A 57 9.180 7.351 4.659 1.00 0.00 N ATOM 863 CA GLY A 57 10.186 6.449 4.130 1.00 0.00 C ATOM 864 C GLY A 57 10.004 5.026 4.622 1.00 0.00 C ATOM 865 O GLY A 57 10.535 4.087 4.030 1.00 0.00 O ATOM 0 H GLY A 57 8.226 7.155 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.145 6.462 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.176 6.805 4.416 1.00 0.00 H new ATOM 869 N GLN A 58 9.254 4.868 5.708 1.00 0.00 N ATOM 870 CA GLN A 58 9.007 3.550 6.280 1.00 0.00 C ATOM 871 C GLN A 58 8.441 2.599 5.230 1.00 0.00 C ATOM 872 O GLN A 58 7.896 3.031 4.215 1.00 0.00 O ATOM 873 CB GLN A 58 8.041 3.657 7.462 1.00 0.00 C ATOM 874 CG GLN A 58 8.736 3.862 8.798 1.00 0.00 C ATOM 875 CD GLN A 58 9.680 2.727 9.145 1.00 0.00 C ATOM 876 OE1 GLN A 58 9.253 1.668 9.607 1.00 0.00 O ATOM 877 NE2 GLN A 58 10.971 2.942 8.924 1.00 0.00 N ATOM 0 H GLN A 58 8.807 5.636 6.209 1.00 0.00 H new ATOM 0 HA GLN A 58 9.958 3.150 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.356 4.487 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.438 2.750 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.293 4.798 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.986 3.958 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.281 3.835 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.653 2.215 9.138 1.00 0.00 H new ATOM 886 N VAL A 59 8.576 1.301 5.482 1.00 0.00 N ATOM 887 CA VAL A 59 8.078 0.288 4.559 1.00 0.00 C ATOM 888 C VAL A 59 7.583 -0.944 5.309 1.00 0.00 C ATOM 889 O VAL A 59 8.333 -1.572 6.056 1.00 0.00 O ATOM 890 CB VAL A 59 9.164 -0.139 3.554 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.574 -1.038 2.478 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.827 1.082 2.935 1.00 0.00 C ATOM 0 H VAL A 59 9.026 0.926 6.317 1.00 0.00 H new ATOM 0 HA VAL A 59 7.247 0.737 4.015 1.00 0.00 H new ATOM 0 HB VAL A 59 9.926 -0.706 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.357 -1.329 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.151 -1.930 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.791 -0.500 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.592 0.761 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.078 1.678 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.287 1.683 3.719 1.00 0.00 H new ATOM 902 N GLY A 60 6.314 -1.285 5.105 1.00 0.00 N ATOM 903 CA GLY A 60 5.740 -2.440 5.769 1.00 0.00 C ATOM 904 C GLY A 60 4.735 -3.169 4.900 1.00 0.00 C ATOM 905 O GLY A 60 4.536 -2.813 3.738 1.00 0.00 O ATOM 0 H GLY A 60 5.673 -0.781 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.538 -3.127 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.254 -2.121 6.691 1.00 0.00 H new ATOM 909 N TYR A 61 4.100 -4.191 5.462 1.00 0.00 N ATOM 910 CA TYR A 61 3.112 -4.974 4.729 1.00 0.00 C ATOM 911 C TYR A 61 1.695 -4.557 5.110 1.00 0.00 C ATOM 912 O TYR A 61 1.272 -4.724 6.254 1.00 0.00 O ATOM 913 CB TYR A 61 3.308 -6.466 5.003 1.00 0.00 C ATOM 914 CG TYR A 61 4.646 -6.997 4.540 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.023 -6.916 3.205 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.533 -7.578 5.437 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.244 -7.400 2.777 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.757 -8.063 5.018 1.00 0.00 C ATOM 919 CZ TYR A 61 7.107 -7.973 3.687 1.00 0.00 C ATOM 920 OH TYR A 61 8.325 -8.455 3.265 1.00 0.00 O ATOM 0 H TYR A 61 4.252 -4.497 6.423 1.00 0.00 H new ATOM 0 HA TYR A 61 3.253 -4.785 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.206 -6.647 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.514 -7.025 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.350 -6.467 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.261 -7.652 6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.521 -7.330 1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.436 -8.510 5.729 1.00 0.00 H new ATOM 0 HH TYR A 61 8.813 -8.826 4.030 1.00 0.00 H new ATOM 930 N VAL A 62 0.965 -4.014 4.141 1.00 0.00 N ATOM 931 CA VAL A 62 -0.406 -3.574 4.372 1.00 0.00 C ATOM 932 C VAL A 62 -1.377 -4.291 3.441 1.00 0.00 C ATOM 933 O VAL A 62 -1.024 -4.713 2.340 1.00 0.00 O ATOM 934 CB VAL A 62 -0.549 -2.053 4.172 1.00 0.00 C ATOM 935 CG1 VAL A 62 -0.053 -1.304 5.400 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.202 -1.607 2.926 1.00 0.00 C ATOM 0 H VAL A 62 1.300 -3.868 3.189 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.648 -3.821 5.406 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.605 -1.819 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.162 -0.231 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.639 -1.603 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.997 -1.541 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.090 -0.530 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.259 -1.852 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.205 -2.119 2.054 1.00 0.00 H new ATOM 946 N PRO A 63 -2.633 -4.432 3.891 1.00 0.00 N ATOM 947 CA PRO A 63 -3.683 -5.097 3.113 1.00 0.00 C ATOM 948 C PRO A 63 -4.107 -4.283 1.896 1.00 0.00 C ATOM 949 O PRO A 63 -4.667 -3.195 2.031 1.00 0.00 O ATOM 950 CB PRO A 63 -4.840 -5.215 4.108 1.00 0.00 C ATOM 951 CG PRO A 63 -4.616 -4.111 5.083 1.00 0.00 C ATOM 952 CD PRO A 63 -3.125 -3.953 5.194 1.00 0.00 C ATOM 0 HA PRO A 63 -3.349 -6.054 2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.803 -5.113 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.839 -6.186 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.082 -3.187 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.056 -4.350 6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.843 -2.915 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.719 -4.540 6.017 1.00 0.00 H new ATOM 960 N GLU A 64 -3.836 -4.817 0.709 1.00 0.00 N ATOM 961 CA GLU A 64 -4.190 -4.137 -0.532 1.00 0.00 C ATOM 962 C GLU A 64 -5.643 -3.670 -0.501 1.00 0.00 C ATOM 963 O GLU A 64 -5.981 -2.621 -1.049 1.00 0.00 O ATOM 964 CB GLU A 64 -3.966 -5.064 -1.728 1.00 0.00 C ATOM 965 CG GLU A 64 -3.819 -4.328 -3.049 1.00 0.00 C ATOM 966 CD GLU A 64 -4.175 -5.193 -4.242 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.443 -6.170 -4.505 1.00 0.00 O ATOM 968 OE2 GLU A 64 -5.185 -4.894 -4.913 1.00 0.00 O ATOM 0 H GLU A 64 -3.373 -5.717 0.580 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.548 -3.262 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.071 -5.660 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.803 -5.759 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.458 -3.445 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.792 -3.977 -3.153 1.00 0.00 H new ATOM 975 N LYS A 65 -6.497 -4.458 0.143 1.00 0.00 N ATOM 976 CA LYS A 65 -7.914 -4.127 0.247 1.00 0.00 C ATOM 977 C LYS A 65 -8.104 -2.720 0.806 1.00 0.00 C ATOM 978 O LYS A 65 -8.919 -1.947 0.303 1.00 0.00 O ATOM 979 CB LYS A 65 -8.632 -5.142 1.138 1.00 0.00 C ATOM 980 CG LYS A 65 -8.476 -6.579 0.671 1.00 0.00 C ATOM 981 CD LYS A 65 -8.804 -7.565 1.779 1.00 0.00 C ATOM 982 CE LYS A 65 -10.273 -7.496 2.170 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.592 -8.422 3.292 1.00 0.00 N ATOM 0 H LYS A 65 -6.233 -5.330 0.601 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.344 -4.163 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.249 -5.056 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.693 -4.894 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.131 -6.758 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.454 -6.742 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.561 -8.576 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.184 -7.354 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.525 -6.475 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.891 -7.745 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.602 -8.346 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.376 -9.399 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.021 -8.169 4.124 1.00 0.00 H new ATOM 997 N TYR A 66 -7.346 -2.395 1.847 1.00 0.00 N ATOM 998 CA TYR A 66 -7.432 -1.081 2.475 1.00 0.00 C ATOM 999 C TYR A 66 -6.906 0.004 1.541 1.00 0.00 C ATOM 1000 O TYR A 66 -7.404 1.131 1.537 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.645 -1.067 3.786 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.360 -1.751 4.929 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.939 -3.003 4.763 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.459 -1.144 6.175 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.594 -3.631 5.804 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.111 -1.766 7.223 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.677 -3.009 7.032 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.328 -3.631 8.073 1.00 0.00 O ATOM 0 H TYR A 66 -6.665 -3.023 2.274 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.481 -0.875 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.683 -1.554 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.438 -0.034 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.876 -3.494 3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.019 -0.170 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.039 -4.604 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.177 -1.281 8.186 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.295 -3.059 8.868 1.00 0.00 H new ATOM 1018 N LEU A 67 -5.898 -0.343 0.749 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.303 0.600 -0.191 1.00 0.00 C ATOM 1020 C LEU A 67 -6.196 0.787 -1.413 1.00 0.00 C ATOM 1021 O LEU A 67 -6.894 -0.137 -1.830 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.920 0.113 -0.626 1.00 0.00 C ATOM 1023 CG LEU A 67 -2.917 -0.150 0.497 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.645 -0.773 -0.058 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.600 1.138 1.243 1.00 0.00 C ATOM 0 H LEU A 67 -5.475 -1.271 0.739 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.201 1.561 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.044 -0.807 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.492 0.853 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.365 -0.852 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.943 -0.953 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.885 -1.718 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.194 -0.095 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.884 0.931 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.173 1.864 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.515 1.543 1.675 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.167 1.988 -1.983 1.00 0.00 N ATOM 1038 CA GLN A 68 -6.973 2.295 -3.158 1.00 0.00 C ATOM 1039 C GLN A 68 -6.088 2.557 -4.372 1.00 0.00 C ATOM 1040 O GLN A 68 -5.733 3.700 -4.660 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.863 3.510 -2.889 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.835 3.813 -4.017 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.615 5.093 -3.787 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.724 5.071 -3.252 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -9.038 6.219 -4.191 1.00 0.00 N ATOM 0 H GLN A 68 -5.594 2.763 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.603 1.432 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.426 3.342 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.232 4.382 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.285 3.891 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.532 2.982 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.118 6.191 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.515 7.111 -4.062 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.735 1.490 -5.082 1.00 0.00 N ATOM 1055 CA PHE A 69 -4.890 1.604 -6.265 1.00 0.00 C ATOM 1056 C PHE A 69 -5.507 2.558 -7.284 1.00 0.00 C ATOM 1057 O PHE A 69 -6.710 2.819 -7.279 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.677 0.229 -6.901 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.571 -0.562 -6.263 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.513 -0.712 -4.887 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.588 -1.154 -7.040 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.497 -1.439 -4.297 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.570 -1.883 -6.455 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.523 -2.025 -5.082 1.00 0.00 C ATOM 0 H PHE A 69 -6.021 0.537 -4.858 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.926 2.006 -5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.604 -0.340 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.456 0.358 -7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.271 -0.255 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.618 -1.045 -8.114 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.464 -1.549 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.811 -2.342 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.727 -2.593 -4.623 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.663 3.094 -8.179 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.102 4.027 -9.220 1.00 0.00 C ATOM 1076 C PRO A 70 -5.956 3.348 -10.285 1.00 0.00 C ATOM 1077 O PRO A 70 -5.439 2.646 -11.156 1.00 0.00 O ATOM 1078 CB PRO A 70 -3.787 4.525 -9.826 1.00 0.00 C ATOM 1079 CG PRO A 70 -2.808 3.435 -9.557 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.216 2.828 -8.243 1.00 0.00 C ATOM 0 HA PRO A 70 -5.730 4.822 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.889 4.710 -10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.471 5.463 -9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.824 2.690 -10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.792 3.826 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.002 1.760 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.686 3.285 -7.407 1.00 0.00 H new ATOM 1088 N THR A 71 -7.266 3.560 -10.211 1.00 0.00 N ATOM 1089 CA THR A 71 -8.191 2.968 -11.169 1.00 0.00 C ATOM 1090 C THR A 71 -8.907 4.043 -11.979 1.00 0.00 C ATOM 1091 O THR A 71 -9.962 4.536 -11.579 1.00 0.00 O ATOM 1092 CB THR A 71 -9.241 2.088 -10.464 1.00 0.00 C ATOM 1093 OG1 THR A 71 -8.591 1.092 -9.668 1.00 0.00 O ATOM 1094 CG2 THR A 71 -10.154 1.418 -11.479 1.00 0.00 C ATOM 0 H THR A 71 -7.710 4.137 -9.497 1.00 0.00 H new ATOM 0 HA THR A 71 -7.597 2.347 -11.840 1.00 0.00 H new ATOM 0 HB THR A 71 -9.846 2.727 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.265 0.538 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.887 0.802 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.670 2.180 -12.063 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.560 0.791 -12.144 1.00 0.00 H new ATOM 1102 N SER A 72 -8.327 4.401 -13.120 1.00 0.00 N ATOM 1103 CA SER A 72 -8.909 5.421 -13.986 1.00 0.00 C ATOM 1104 C SER A 72 -9.123 6.724 -13.222 1.00 0.00 C ATOM 1105 O SER A 72 -10.152 7.383 -13.373 1.00 0.00 O ATOM 1106 CB SER A 72 -10.237 4.931 -14.565 1.00 0.00 C ATOM 1107 OG SER A 72 -10.578 5.649 -15.738 1.00 0.00 O ATOM 0 H SER A 72 -7.455 4.001 -13.467 1.00 0.00 H new ATOM 0 HA SER A 72 -8.213 5.610 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.167 3.867 -14.793 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.026 5.047 -13.822 1.00 0.00 H new ATOM 0 HG SER A 72 -10.579 6.610 -15.545 1.00 0.00 H new ATOM 1113 N SER A 73 -8.144 7.089 -12.401 1.00 0.00 N ATOM 1114 CA SER A 73 -8.226 8.312 -11.610 1.00 0.00 C ATOM 1115 C SER A 73 -8.833 9.448 -12.427 1.00 0.00 C ATOM 1116 O SER A 73 -8.602 9.554 -13.631 1.00 0.00 O ATOM 1117 CB SER A 73 -6.838 8.714 -11.108 1.00 0.00 C ATOM 1118 OG SER A 73 -6.911 9.843 -10.255 1.00 0.00 O ATOM 0 H SER A 73 -7.285 6.556 -12.266 1.00 0.00 H new ATOM 0 HA SER A 73 -8.872 8.119 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.385 7.879 -10.573 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.191 8.937 -11.957 1.00 0.00 H new ATOM 0 HG SER A 73 -6.011 10.079 -9.946 1.00 0.00 H new ATOM 1124 N GLY A 74 -9.611 10.297 -11.762 1.00 0.00 N ATOM 1125 CA GLY A 74 -10.239 11.415 -12.441 1.00 0.00 C ATOM 1126 C GLY A 74 -11.432 11.959 -11.681 1.00 0.00 C ATOM 1127 O GLY A 74 -11.578 11.746 -10.477 1.00 0.00 O ATOM 0 H GLY A 74 -9.817 10.230 -10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.506 12.210 -12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.558 11.100 -13.435 1.00 0.00 H new ATOM 1131 N PRO A 75 -12.312 12.681 -12.390 1.00 0.00 N ATOM 1132 CA PRO A 75 -13.514 13.273 -11.795 1.00 0.00 C ATOM 1133 C PRO A 75 -14.545 12.221 -11.403 1.00 0.00 C ATOM 1134 O PRO A 75 -15.008 11.448 -12.242 1.00 0.00 O ATOM 1135 CB PRO A 75 -14.059 14.167 -12.911 1.00 0.00 C ATOM 1136 CG PRO A 75 -13.546 13.558 -14.170 1.00 0.00 C ATOM 1137 CD PRO A 75 -12.202 12.975 -13.829 1.00 0.00 C ATOM 0 HA PRO A 75 -13.291 13.809 -10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.149 14.194 -12.900 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -13.713 15.195 -12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -14.225 12.787 -14.536 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -13.459 14.306 -14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.996 12.075 -14.408 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.395 13.678 -14.035 1.00 0.00 H new ATOM 1145 N SER A 76 -14.902 12.196 -10.122 1.00 0.00 N ATOM 1146 CA SER A 76 -15.877 11.236 -9.618 1.00 0.00 C ATOM 1147 C SER A 76 -17.160 11.940 -9.187 1.00 0.00 C ATOM 1148 O SER A 76 -17.689 11.682 -8.106 1.00 0.00 O ATOM 1149 CB SER A 76 -15.291 10.452 -8.442 1.00 0.00 C ATOM 1150 OG SER A 76 -14.839 11.326 -7.422 1.00 0.00 O ATOM 0 H SER A 76 -14.530 12.830 -9.415 1.00 0.00 H new ATOM 0 HA SER A 76 -16.118 10.542 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.046 9.777 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.463 9.834 -8.789 1.00 0.00 H new ATOM 0 HG SER A 76 -14.471 10.801 -6.681 1.00 0.00 H new ATOM 1156 N SER A 77 -17.654 12.831 -10.041 1.00 0.00 N ATOM 1157 CA SER A 77 -18.873 13.576 -9.747 1.00 0.00 C ATOM 1158 C SER A 77 -19.832 13.536 -10.933 1.00 0.00 C ATOM 1159 O SER A 77 -19.425 13.289 -12.067 1.00 0.00 O ATOM 1160 CB SER A 77 -18.537 15.027 -9.397 1.00 0.00 C ATOM 1161 OG SER A 77 -18.117 15.745 -10.545 1.00 0.00 O ATOM 0 H SER A 77 -17.229 13.054 -10.941 1.00 0.00 H new ATOM 0 HA SER A 77 -19.360 13.107 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 77 -19.411 15.511 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 77 -17.751 15.050 -8.642 1.00 0.00 H new ATOM 0 HG SER A 77 -17.910 16.670 -10.295 1.00 0.00 H new ATOM 1167 N GLY A 78 -21.110 13.781 -10.660 1.00 0.00 N ATOM 1168 CA GLY A 78 -22.109 13.768 -11.713 1.00 0.00 C ATOM 1169 C GLY A 78 -23.197 12.742 -11.468 1.00 0.00 C ATOM 1170 O GLY A 78 -23.274 11.730 -12.165 1.00 0.00 O ATOM 0 H GLY A 78 -21.471 13.988 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.559 14.757 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.624 13.558 -12.667 1.00 0.00 H new TER 1174 GLY A 78