USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -3.91 K(o=-3.9,f=-7.5!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.087) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0459) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -157:sc= -2.09! USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.143 (180deg=-0.211) USER MOD Single : A 46 TYR OH : rot 180:sc= -3.82! USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -1.26 (180deg=-1.67) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.64 K(o=-2.6,f=-0.95) USER MOD Single : A 61 THR OG1 : rot 87:sc= 1.12 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 0.0622 (180deg=0.00166) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -22.985 -16.053 4.131 1.00 0.00 N ATOM 2 CA LEU A 1 -24.140 -16.542 3.332 1.00 0.00 C ATOM 3 C LEU A 1 -24.453 -15.596 2.177 1.00 0.00 C ATOM 4 O LEU A 1 -24.334 -15.963 1.009 1.00 0.00 O ATOM 5 CB LEU A 1 -25.354 -16.668 4.254 1.00 0.00 C ATOM 6 CG LEU A 1 -26.441 -17.627 3.767 1.00 0.00 C ATOM 7 CD1 LEU A 1 -25.963 -19.068 3.862 1.00 0.00 C ATOM 8 CD2 LEU A 1 -27.719 -17.434 4.570 1.00 0.00 C ATOM 0 H1 LEU A 1 -22.795 -16.716 4.909 1.00 0.00 H new ATOM 0 H2 LEU A 1 -22.145 -15.985 3.521 1.00 0.00 H new ATOM 0 H3 LEU A 1 -23.206 -15.115 4.522 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.891 -17.513 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -25.013 -16.998 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -25.795 -15.680 4.386 1.00 0.00 H new ATOM 0 HG LEU A 1 -26.654 -17.405 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -26.750 -19.736 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -25.074 -19.198 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -25.722 -19.304 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -28.482 -18.124 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -27.520 -17.630 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -28.072 -16.409 4.452 1.00 0.00 H new ATOM 22 N LYS A 2 -24.850 -14.372 2.513 1.00 0.00 N ATOM 23 CA LYS A 2 -25.178 -13.372 1.504 1.00 0.00 C ATOM 24 C LYS A 2 -24.760 -11.978 1.962 1.00 0.00 C ATOM 25 O LYS A 2 -25.392 -10.982 1.611 1.00 0.00 O ATOM 26 CB LYS A 2 -26.679 -13.393 1.204 1.00 0.00 C ATOM 27 CG LYS A 2 -27.053 -14.294 0.038 1.00 0.00 C ATOM 28 CD LYS A 2 -28.323 -13.816 -0.649 1.00 0.00 C ATOM 29 CE LYS A 2 -28.486 -14.446 -2.022 1.00 0.00 C ATOM 30 NZ LYS A 2 -27.540 -13.864 -3.015 1.00 0.00 N ATOM 0 H LYS A 2 -24.952 -14.050 3.475 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.628 -13.616 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -27.215 -13.723 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -27.013 -12.378 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -26.235 -14.318 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -27.193 -15.314 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -29.186 -14.061 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.298 -12.731 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -28.321 -15.521 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -29.510 -14.303 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -27.823 -14.151 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -27.558 -12.827 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -26.578 -14.207 -2.820 1.00 0.00 H new ATOM 44 N LYS A 3 -23.689 -11.917 2.747 1.00 0.00 N ATOM 45 CA LYS A 3 -23.184 -10.645 3.252 1.00 0.00 C ATOM 46 C LYS A 3 -21.661 -10.602 3.196 1.00 0.00 C ATOM 47 O LYS A 3 -21.074 -9.624 2.732 1.00 0.00 O ATOM 48 CB LYS A 3 -23.662 -10.417 4.688 1.00 0.00 C ATOM 49 CG LYS A 3 -24.899 -9.540 4.785 1.00 0.00 C ATOM 50 CD LYS A 3 -25.836 -10.015 5.885 1.00 0.00 C ATOM 51 CE LYS A 3 -27.249 -9.495 5.676 1.00 0.00 C ATOM 52 NZ LYS A 3 -28.095 -9.685 6.885 1.00 0.00 N ATOM 0 H LYS A 3 -23.155 -12.732 3.047 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.574 -9.850 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -23.874 -11.382 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -22.856 -9.959 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -24.601 -8.510 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.425 -9.545 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.848 -11.105 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.463 -9.679 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.212 -8.436 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.704 -10.010 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.050 -9.318 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.152 -10.698 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -27.675 -9.172 7.687 1.00 0.00 H new ATOM 66 N THR A 4 -21.025 -11.668 3.669 1.00 0.00 N ATOM 67 CA THR A 4 -19.568 -11.752 3.671 1.00 0.00 C ATOM 68 C THR A 4 -19.065 -12.480 2.427 1.00 0.00 C ATOM 69 O THR A 4 -18.181 -13.333 2.506 1.00 0.00 O ATOM 70 CB THR A 4 -19.082 -12.472 4.929 1.00 0.00 C ATOM 71 OG1 THR A 4 -19.713 -13.732 5.064 1.00 0.00 O ATOM 72 CG2 THR A 4 -19.337 -11.692 6.201 1.00 0.00 C ATOM 0 H THR A 4 -21.495 -12.486 4.056 1.00 0.00 H new ATOM 0 HA THR A 4 -19.168 -10.738 3.663 1.00 0.00 H new ATOM 0 HB THR A 4 -18.006 -12.583 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.386 -14.176 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.968 -12.259 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.819 -10.734 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.407 -11.520 6.314 1.00 0.00 H new ATOM 80 N SER A 5 -19.633 -12.132 1.276 1.00 0.00 N ATOM 81 CA SER A 5 -19.240 -12.752 0.015 1.00 0.00 C ATOM 82 C SER A 5 -17.804 -12.388 -0.346 1.00 0.00 C ATOM 83 O SER A 5 -17.018 -13.247 -0.748 1.00 0.00 O ATOM 84 CB SER A 5 -20.189 -12.316 -1.106 1.00 0.00 C ATOM 85 OG SER A 5 -20.767 -13.438 -1.750 1.00 0.00 O ATOM 0 H SER A 5 -20.365 -11.426 1.191 1.00 0.00 H new ATOM 0 HA SER A 5 -19.300 -13.834 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.976 -11.683 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.645 -11.715 -1.834 1.00 0.00 H new ATOM 0 HG SER A 5 -21.370 -13.133 -2.460 1.00 0.00 H new ATOM 91 N SER A 6 -17.465 -11.112 -0.200 1.00 0.00 N ATOM 92 CA SER A 6 -16.122 -10.635 -0.508 1.00 0.00 C ATOM 93 C SER A 6 -15.705 -9.528 0.454 1.00 0.00 C ATOM 94 O SER A 6 -16.129 -8.380 0.315 1.00 0.00 O ATOM 95 CB SER A 6 -16.060 -10.126 -1.949 1.00 0.00 C ATOM 96 OG SER A 6 -16.789 -10.971 -2.823 1.00 0.00 O ATOM 0 H SER A 6 -18.103 -10.388 0.130 1.00 0.00 H new ATOM 0 HA SER A 6 -15.430 -11.469 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.462 -9.114 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.021 -10.072 -2.274 1.00 0.00 H new ATOM 0 HG SER A 6 -16.734 -10.622 -3.737 1.00 0.00 H new ATOM 102 N SER A 7 -14.871 -9.878 1.426 1.00 0.00 N ATOM 103 CA SER A 7 -14.395 -8.914 2.411 1.00 0.00 C ATOM 104 C SER A 7 -12.873 -8.915 2.486 1.00 0.00 C ATOM 105 O SER A 7 -12.287 -9.510 3.391 1.00 0.00 O ATOM 106 CB SER A 7 -14.987 -9.224 3.787 1.00 0.00 C ATOM 107 OG SER A 7 -16.193 -8.509 3.998 1.00 0.00 O ATOM 0 H SER A 7 -14.510 -10.823 1.553 1.00 0.00 H new ATOM 0 HA SER A 7 -14.722 -7.923 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.176 -10.294 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.267 -8.965 4.563 1.00 0.00 H new ATOM 0 HG SER A 7 -16.551 -8.726 4.884 1.00 0.00 H new ATOM 113 N GLY A 8 -12.236 -8.247 1.531 1.00 0.00 N ATOM 114 CA GLY A 8 -10.787 -8.184 1.509 1.00 0.00 C ATOM 115 C GLY A 8 -10.247 -7.026 2.324 1.00 0.00 C ATOM 116 O GLY A 8 -10.720 -6.764 3.431 1.00 0.00 O ATOM 0 H GLY A 8 -12.698 -7.748 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.379 -9.118 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.446 -8.090 0.478 1.00 0.00 H new ATOM 120 N LEU A 9 -9.255 -6.328 1.780 1.00 0.00 N ATOM 121 CA LEU A 9 -8.657 -5.193 2.460 1.00 0.00 C ATOM 122 C LEU A 9 -8.281 -4.123 1.456 1.00 0.00 C ATOM 123 O LEU A 9 -7.772 -4.424 0.376 1.00 0.00 O ATOM 124 CB LEU A 9 -7.424 -5.631 3.254 1.00 0.00 C ATOM 125 CG LEU A 9 -7.723 -6.331 4.583 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.048 -7.694 4.635 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.276 -5.468 5.755 1.00 0.00 C ATOM 0 H LEU A 9 -8.850 -6.533 0.867 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.387 -4.782 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.831 -6.302 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.809 -4.754 3.453 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.800 -6.479 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.273 -8.175 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.418 -8.314 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.970 -7.570 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.497 -5.982 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.203 -5.287 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.807 -4.517 5.730 1.00 0.00 H new ATOM 139 N TYR A 10 -8.524 -2.873 1.813 1.00 0.00 N ATOM 140 CA TYR A 10 -8.201 -1.769 0.933 1.00 0.00 C ATOM 141 C TYR A 10 -6.910 -1.107 1.379 1.00 0.00 C ATOM 142 O TYR A 10 -6.874 -0.397 2.385 1.00 0.00 O ATOM 143 CB TYR A 10 -9.350 -0.764 0.904 1.00 0.00 C ATOM 144 CG TYR A 10 -10.697 -1.412 0.665 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.048 -1.872 -0.595 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.608 -1.570 1.698 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.272 -2.471 -0.823 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.836 -2.168 1.480 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.163 -2.616 0.219 1.00 0.00 C ATOM 150 OH TYR A 10 -14.384 -3.212 -0.001 1.00 0.00 O ATOM 0 H TYR A 10 -8.942 -2.601 2.703 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.058 -2.150 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.376 -0.223 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.163 -0.029 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.352 -1.760 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.355 -1.221 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.529 -2.823 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.535 -2.283 2.295 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.892 -3.237 0.837 1.00 0.00 H new ATOM 160 N LYS A 11 -5.851 -1.342 0.619 1.00 0.00 N ATOM 161 CA LYS A 11 -4.547 -0.764 0.927 1.00 0.00 C ATOM 162 C LYS A 11 -4.014 0.016 -0.269 1.00 0.00 C ATOM 163 O LYS A 11 -4.372 -0.273 -1.412 1.00 0.00 O ATOM 164 CB LYS A 11 -3.556 -1.861 1.319 1.00 0.00 C ATOM 165 CG LYS A 11 -4.114 -2.864 2.315 1.00 0.00 C ATOM 166 CD LYS A 11 -3.606 -4.269 2.034 1.00 0.00 C ATOM 167 CE LYS A 11 -3.899 -5.210 3.194 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.883 -5.091 4.276 1.00 0.00 N ATOM 0 H LYS A 11 -5.867 -1.928 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.665 -0.080 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.242 -2.392 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.665 -1.398 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.833 -2.570 3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.203 -2.854 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.074 -4.651 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.532 -4.239 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.887 -4.991 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.924 -6.237 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.118 -5.748 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.943 -5.325 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.877 -4.117 4.641 1.00 0.00 H new ATOM 182 N VAL A 12 -3.156 1.002 -0.013 1.00 0.00 N ATOM 183 CA VAL A 12 -2.591 1.800 -1.096 1.00 0.00 C ATOM 184 C VAL A 12 -1.127 1.426 -1.323 1.00 0.00 C ATOM 185 O VAL A 12 -0.394 1.188 -0.373 1.00 0.00 O ATOM 186 CB VAL A 12 -2.706 3.324 -0.832 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.061 4.063 -2.105 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.742 3.645 0.238 1.00 0.00 C ATOM 0 H VAL A 12 -2.841 1.264 0.921 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.173 1.576 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.731 3.653 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.137 5.130 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.286 3.893 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.016 3.698 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.787 4.724 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.719 3.282 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.462 3.160 1.173 1.00 0.00 H new ATOM 198 N GLN A 13 -0.716 1.355 -2.586 1.00 0.00 N ATOM 199 CA GLN A 13 0.660 0.990 -2.924 1.00 0.00 C ATOM 200 C GLN A 13 1.251 1.962 -3.939 1.00 0.00 C ATOM 201 O GLN A 13 0.609 2.301 -4.933 1.00 0.00 O ATOM 202 CB GLN A 13 0.705 -0.435 -3.482 1.00 0.00 C ATOM 203 CG GLN A 13 2.114 -0.942 -3.747 1.00 0.00 C ATOM 204 CD GLN A 13 2.165 -2.443 -3.940 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.318 -3.178 -3.429 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.164 -2.912 -4.681 1.00 0.00 N ATOM 0 H GLN A 13 -1.313 1.544 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 13 1.257 1.040 -2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.213 -1.107 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.135 -0.471 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.512 -0.451 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.759 -0.664 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.844 -2.269 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.250 -3.915 -4.845 1.00 0.00 H new ATOM 215 N ILE A 14 2.471 2.423 -3.678 1.00 0.00 N ATOM 216 CA ILE A 14 3.125 3.374 -4.570 1.00 0.00 C ATOM 217 C ILE A 14 4.235 2.743 -5.412 1.00 0.00 C ATOM 218 O ILE A 14 4.785 3.404 -6.294 1.00 0.00 O ATOM 219 CB ILE A 14 3.706 4.569 -3.794 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.632 4.075 -2.674 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.581 5.442 -3.255 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.162 4.409 -1.275 1.00 0.00 C ATOM 0 H ILE A 14 3.023 2.156 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 14 2.342 3.718 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 14 4.304 5.181 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.738 2.994 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.622 4.505 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.004 6.284 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.980 5.814 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.953 4.854 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.877 4.022 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.084 5.491 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.186 3.955 -1.101 1.00 0.00 H new ATOM 234 N GLY A 15 4.558 1.469 -5.174 1.00 0.00 N ATOM 235 CA GLY A 15 5.595 0.839 -5.978 1.00 0.00 C ATOM 236 C GLY A 15 6.255 -0.362 -5.327 1.00 0.00 C ATOM 237 O GLY A 15 6.000 -0.682 -4.167 1.00 0.00 O ATOM 0 H GLY A 15 4.133 0.877 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.161 0.528 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.361 1.580 -6.205 1.00 0.00 H new ATOM 241 N ALA A 16 7.138 -1.002 -6.093 1.00 0.00 N ATOM 242 CA ALA A 16 7.900 -2.159 -5.632 1.00 0.00 C ATOM 243 C ALA A 16 9.232 -2.220 -6.382 1.00 0.00 C ATOM 244 O ALA A 16 9.295 -1.854 -7.556 1.00 0.00 O ATOM 245 CB ALA A 16 7.110 -3.447 -5.829 1.00 0.00 C ATOM 0 H ALA A 16 7.345 -0.730 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 16 8.094 -2.053 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.700 -4.293 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.180 -3.393 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.884 -3.577 -6.887 1.00 0.00 H new ATOM 251 N PHE A 17 10.294 -2.668 -5.720 1.00 0.00 N ATOM 252 CA PHE A 17 11.602 -2.747 -6.367 1.00 0.00 C ATOM 253 C PHE A 17 12.434 -3.892 -5.807 1.00 0.00 C ATOM 254 O PHE A 17 12.269 -4.294 -4.658 1.00 0.00 O ATOM 255 CB PHE A 17 12.364 -1.431 -6.195 1.00 0.00 C ATOM 256 CG PHE A 17 11.500 -0.207 -6.321 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.814 0.287 -5.223 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.378 0.447 -7.535 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.023 1.412 -5.336 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.585 1.573 -7.654 1.00 0.00 C ATOM 261 CZ PHE A 17 9.907 2.056 -6.552 1.00 0.00 C ATOM 0 H PHE A 17 10.278 -2.979 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 17 11.430 -2.933 -7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.844 -1.426 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.158 -1.382 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.899 -0.213 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.908 0.073 -8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.494 1.789 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.496 2.074 -8.607 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.287 2.936 -6.641 1.00 0.00 H new ATOM 271 N LYS A 18 13.343 -4.407 -6.631 1.00 0.00 N ATOM 272 CA LYS A 18 14.215 -5.502 -6.225 1.00 0.00 C ATOM 273 C LYS A 18 15.095 -5.100 -5.042 1.00 0.00 C ATOM 274 O LYS A 18 15.676 -5.957 -4.375 1.00 0.00 O ATOM 275 CB LYS A 18 15.103 -5.933 -7.396 1.00 0.00 C ATOM 276 CG LYS A 18 14.415 -6.860 -8.379 1.00 0.00 C ATOM 277 CD LYS A 18 15.345 -7.261 -9.513 1.00 0.00 C ATOM 278 CE LYS A 18 14.587 -7.462 -10.815 1.00 0.00 C ATOM 279 NZ LYS A 18 14.167 -6.167 -11.419 1.00 0.00 N ATOM 0 H LYS A 18 13.494 -4.082 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 18 13.582 -6.335 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.444 -5.044 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.990 -6.430 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.069 -7.753 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.532 -6.368 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.106 -6.492 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.866 -8.181 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.216 -8.005 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.707 -8.079 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.854 -6.326 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.384 -5.764 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.970 -5.506 -11.415 1.00 0.00 H new ATOM 293 N VAL A 19 15.204 -3.798 -4.795 1.00 0.00 N ATOM 294 CA VAL A 19 16.033 -3.298 -3.705 1.00 0.00 C ATOM 295 C VAL A 19 15.199 -2.785 -2.536 1.00 0.00 C ATOM 296 O VAL A 19 14.289 -1.974 -2.712 1.00 0.00 O ATOM 297 CB VAL A 19 16.955 -2.164 -4.185 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.961 -1.796 -3.105 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.664 -2.560 -5.472 1.00 0.00 C ATOM 0 H VAL A 19 14.730 -3.073 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 19 16.631 -4.144 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 19 16.342 -1.286 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.603 -0.992 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.431 -1.465 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.570 -2.667 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.312 -1.745 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.264 -3.453 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.925 -2.766 -6.246 1.00 0.00 H new ATOM 309 N LYS A 20 15.529 -3.260 -1.340 1.00 0.00 N ATOM 310 CA LYS A 20 14.838 -2.860 -0.125 1.00 0.00 C ATOM 311 C LYS A 20 15.175 -1.418 0.224 1.00 0.00 C ATOM 312 O LYS A 20 14.306 -0.656 0.639 1.00 0.00 O ATOM 313 CB LYS A 20 15.223 -3.779 1.036 1.00 0.00 C ATOM 314 CG LYS A 20 14.427 -3.524 2.305 1.00 0.00 C ATOM 315 CD LYS A 20 15.329 -3.128 3.464 1.00 0.00 C ATOM 316 CE LYS A 20 15.314 -1.624 3.694 1.00 0.00 C ATOM 317 NZ LYS A 20 16.420 -1.189 4.592 1.00 0.00 N ATOM 0 H LYS A 20 16.282 -3.932 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 20 13.765 -2.941 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.081 -4.816 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.284 -3.653 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.698 -2.734 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.867 -4.421 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.004 -3.639 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.349 -3.456 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.400 -1.109 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.358 -1.333 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.375 -0.158 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.324 -1.660 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.334 -1.444 4.166 1.00 0.00 H new ATOM 331 N ALA A 21 16.439 -1.042 0.040 1.00 0.00 N ATOM 332 CA ALA A 21 16.870 0.320 0.323 1.00 0.00 C ATOM 333 C ALA A 21 16.041 1.304 -0.487 1.00 0.00 C ATOM 334 O ALA A 21 15.742 2.411 -0.036 1.00 0.00 O ATOM 335 CB ALA A 21 18.351 0.486 0.015 1.00 0.00 C ATOM 0 H ALA A 21 17.176 -1.659 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 21 16.719 0.524 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.655 1.510 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.930 -0.203 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.530 0.270 -1.038 1.00 0.00 H new ATOM 341 N ASN A 22 15.645 0.871 -1.680 1.00 0.00 N ATOM 342 CA ASN A 22 14.820 1.688 -2.551 1.00 0.00 C ATOM 343 C ASN A 22 13.388 1.670 -2.046 1.00 0.00 C ATOM 344 O ASN A 22 12.670 2.669 -2.132 1.00 0.00 O ATOM 345 CB ASN A 22 14.881 1.172 -3.990 1.00 0.00 C ATOM 346 CG ASN A 22 16.190 1.518 -4.673 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.069 2.140 -4.078 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.326 1.114 -5.931 1.00 0.00 N ATOM 0 H ASN A 22 15.885 -0.044 -2.063 1.00 0.00 H new ATOM 0 HA ASN A 22 15.196 2.711 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.749 0.090 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.054 1.595 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.185 1.317 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.571 0.601 -6.386 1.00 0.00 H new ATOM 355 N ALA A 23 12.978 0.525 -1.499 1.00 0.00 N ATOM 356 CA ALA A 23 11.632 0.383 -0.960 1.00 0.00 C ATOM 357 C ALA A 23 11.494 1.137 0.365 1.00 0.00 C ATOM 358 O ALA A 23 10.386 1.433 0.811 1.00 0.00 O ATOM 359 CB ALA A 23 11.287 -1.088 -0.777 1.00 0.00 C ATOM 0 H ALA A 23 13.557 -0.311 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 23 10.930 0.818 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.278 -1.178 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.339 -1.596 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.996 -1.545 -0.086 1.00 0.00 H new ATOM 365 N ASP A 24 12.633 1.446 0.985 1.00 0.00 N ATOM 366 CA ASP A 24 12.648 2.167 2.253 1.00 0.00 C ATOM 367 C ASP A 24 12.564 3.669 2.014 1.00 0.00 C ATOM 368 O ASP A 24 11.896 4.389 2.754 1.00 0.00 O ATOM 369 CB ASP A 24 13.917 1.832 3.039 1.00 0.00 C ATOM 370 CG ASP A 24 13.658 1.706 4.527 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.586 2.750 5.208 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.529 0.562 5.013 1.00 0.00 O ATOM 0 H ASP A 24 13.558 1.207 0.627 1.00 0.00 H new ATOM 0 HA ASP A 24 11.780 1.857 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.337 0.898 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.663 2.608 2.867 1.00 0.00 H new ATOM 377 N SER A 25 13.231 4.132 0.960 1.00 0.00 N ATOM 378 CA SER A 25 13.206 5.546 0.613 1.00 0.00 C ATOM 379 C SER A 25 11.797 5.939 0.193 1.00 0.00 C ATOM 380 O SER A 25 11.310 7.022 0.520 1.00 0.00 O ATOM 381 CB SER A 25 14.194 5.839 -0.517 1.00 0.00 C ATOM 382 OG SER A 25 14.283 7.231 -0.772 1.00 0.00 O ATOM 0 H SER A 25 13.791 3.551 0.336 1.00 0.00 H new ATOM 0 HA SER A 25 13.501 6.131 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.178 5.451 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.879 5.320 -1.422 1.00 0.00 H new ATOM 0 HG SER A 25 14.922 7.390 -1.497 1.00 0.00 H new ATOM 388 N LEU A 26 11.144 5.028 -0.518 1.00 0.00 N ATOM 389 CA LEU A 26 9.782 5.240 -0.980 1.00 0.00 C ATOM 390 C LEU A 26 8.830 5.318 0.213 1.00 0.00 C ATOM 391 O LEU A 26 8.055 6.266 0.348 1.00 0.00 O ATOM 392 CB LEU A 26 9.373 4.101 -1.917 1.00 0.00 C ATOM 393 CG LEU A 26 7.978 4.217 -2.532 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.866 5.469 -3.386 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.662 2.982 -3.360 1.00 0.00 C ATOM 0 H LEU A 26 11.542 4.128 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 26 9.730 6.182 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.102 4.040 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.430 3.163 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 26 7.253 4.291 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.865 5.530 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.051 6.348 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.601 5.428 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.666 3.078 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.396 2.883 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.697 2.098 -2.723 1.00 0.00 H new ATOM 407 N ALA A 27 8.915 4.321 1.089 1.00 0.00 N ATOM 408 CA ALA A 27 8.080 4.284 2.284 1.00 0.00 C ATOM 409 C ALA A 27 8.302 5.535 3.130 1.00 0.00 C ATOM 410 O ALA A 27 7.437 5.935 3.909 1.00 0.00 O ATOM 411 CB ALA A 27 8.375 3.030 3.094 1.00 0.00 C ATOM 0 H ALA A 27 9.552 3.530 0.994 1.00 0.00 H new ATOM 0 HA ALA A 27 7.034 4.260 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.745 3.015 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.168 2.148 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.423 3.028 3.392 1.00 0.00 H new ATOM 417 N SER A 28 9.470 6.148 2.961 1.00 0.00 N ATOM 418 CA SER A 28 9.817 7.358 3.696 1.00 0.00 C ATOM 419 C SER A 28 9.028 8.550 3.167 1.00 0.00 C ATOM 420 O SER A 28 8.546 9.381 3.938 1.00 0.00 O ATOM 421 CB SER A 28 11.318 7.634 3.589 1.00 0.00 C ATOM 422 OG SER A 28 11.777 8.392 4.695 1.00 0.00 O ATOM 0 H SER A 28 10.194 5.825 2.319 1.00 0.00 H new ATOM 0 HA SER A 28 9.560 7.207 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.862 6.691 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.527 8.171 2.664 1.00 0.00 H new ATOM 0 HG SER A 28 12.739 8.554 4.604 1.00 0.00 H new ATOM 428 N ASN A 29 8.895 8.627 1.845 1.00 0.00 N ATOM 429 CA ASN A 29 8.160 9.718 1.217 1.00 0.00 C ATOM 430 C ASN A 29 6.716 9.740 1.704 1.00 0.00 C ATOM 431 O ASN A 29 6.192 10.787 2.085 1.00 0.00 O ATOM 432 CB ASN A 29 8.217 9.597 -0.314 1.00 0.00 C ATOM 433 CG ASN A 29 7.084 8.776 -0.908 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.908 9.092 -0.733 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.436 7.721 -1.624 1.00 0.00 N ATOM 0 H ASN A 29 9.286 7.949 1.191 1.00 0.00 H new ATOM 0 HA ASN A 29 8.630 10.659 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.196 10.596 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.168 9.146 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.721 7.135 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.423 7.493 -1.745 1.00 0.00 H new ATOM 442 N ALA A 30 6.077 8.573 1.689 1.00 0.00 N ATOM 443 CA ALA A 30 4.696 8.462 2.130 1.00 0.00 C ATOM 444 C ALA A 30 4.564 8.880 3.585 1.00 0.00 C ATOM 445 O ALA A 30 3.615 9.568 3.961 1.00 0.00 O ATOM 446 CB ALA A 30 4.193 7.042 1.938 1.00 0.00 C ATOM 0 H ALA A 30 6.494 7.696 1.377 1.00 0.00 H new ATOM 0 HA ALA A 30 4.086 9.132 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.158 6.974 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.252 6.775 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.808 6.356 2.521 1.00 0.00 H new ATOM 452 N GLU A 31 5.528 8.463 4.398 1.00 0.00 N ATOM 453 CA GLU A 31 5.524 8.800 5.816 1.00 0.00 C ATOM 454 C GLU A 31 5.435 10.311 6.002 1.00 0.00 C ATOM 455 O GLU A 31 4.768 10.801 6.913 1.00 0.00 O ATOM 456 CB GLU A 31 6.784 8.256 6.493 1.00 0.00 C ATOM 457 CG GLU A 31 6.721 8.290 8.011 1.00 0.00 C ATOM 458 CD GLU A 31 7.671 9.307 8.612 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.724 9.573 7.995 1.00 0.00 O ATOM 460 OE2 GLU A 31 7.363 9.839 9.700 1.00 0.00 O ATOM 0 H GLU A 31 6.320 7.893 4.100 1.00 0.00 H new ATOM 0 HA GLU A 31 4.651 8.341 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.947 7.229 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.645 8.836 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.703 8.521 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.958 7.301 8.403 1.00 0.00 H new ATOM 467 N ALA A 32 6.111 11.042 5.119 1.00 0.00 N ATOM 468 CA ALA A 32 6.110 12.498 5.159 1.00 0.00 C ATOM 469 C ALA A 32 4.685 13.027 5.128 1.00 0.00 C ATOM 470 O ALA A 32 4.296 13.843 5.963 1.00 0.00 O ATOM 471 CB ALA A 32 6.916 13.062 3.997 1.00 0.00 C ATOM 0 H ALA A 32 6.669 10.645 4.363 1.00 0.00 H new ATOM 0 HA ALA A 32 6.577 12.821 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.905 14.151 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.944 12.706 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.476 12.733 3.056 1.00 0.00 H new ATOM 477 N LYS A 33 3.901 12.536 4.172 1.00 0.00 N ATOM 478 CA LYS A 33 2.509 12.947 4.061 1.00 0.00 C ATOM 479 C LYS A 33 1.768 12.534 5.325 1.00 0.00 C ATOM 480 O LYS A 33 0.800 13.173 5.734 1.00 0.00 O ATOM 481 CB LYS A 33 1.853 12.306 2.840 1.00 0.00 C ATOM 482 CG LYS A 33 2.238 12.965 1.528 1.00 0.00 C ATOM 483 CD LYS A 33 1.658 14.366 1.416 1.00 0.00 C ATOM 484 CE LYS A 33 2.671 15.345 0.845 1.00 0.00 C ATOM 485 NZ LYS A 33 2.418 16.740 1.307 1.00 0.00 N ATOM 0 H LYS A 33 4.204 11.860 3.471 1.00 0.00 H new ATOM 0 HA LYS A 33 2.465 14.030 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.127 11.252 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.770 12.349 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.324 13.012 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.884 12.356 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.773 14.345 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.336 14.707 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.675 15.041 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.635 15.311 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.130 17.377 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.469 17.039 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.478 16.778 2.345 1.00 0.00 H new ATOM 499 N GLY A 34 2.256 11.463 5.947 1.00 0.00 N ATOM 500 CA GLY A 34 1.666 10.972 7.168 1.00 0.00 C ATOM 501 C GLY A 34 0.944 9.656 6.977 1.00 0.00 C ATOM 502 O GLY A 34 -0.038 9.371 7.662 1.00 0.00 O ATOM 0 H GLY A 34 3.058 10.926 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.445 10.849 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.966 11.714 7.553 1.00 0.00 H new ATOM 506 N PHE A 35 1.436 8.847 6.046 1.00 0.00 N ATOM 507 CA PHE A 35 0.839 7.553 5.772 1.00 0.00 C ATOM 508 C PHE A 35 1.646 6.437 6.417 1.00 0.00 C ATOM 509 O PHE A 35 2.829 6.602 6.713 1.00 0.00 O ATOM 510 CB PHE A 35 0.749 7.329 4.265 1.00 0.00 C ATOM 511 CG PHE A 35 0.198 8.510 3.523 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.751 9.336 4.106 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.636 8.798 2.246 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.253 10.425 3.424 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.141 9.888 1.557 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.807 10.703 2.147 1.00 0.00 C ATOM 0 H PHE A 35 2.248 9.068 5.469 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.164 7.540 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.742 7.097 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.120 6.460 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.101 9.124 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.375 8.163 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.994 11.059 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.494 10.103 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.198 11.555 1.611 1.00 0.00 H new ATOM 526 N ASP A 36 1.003 5.298 6.616 1.00 0.00 N ATOM 527 CA ASP A 36 1.664 4.148 7.209 1.00 0.00 C ATOM 528 C ASP A 36 2.332 3.320 6.122 1.00 0.00 C ATOM 529 O ASP A 36 1.693 2.474 5.495 1.00 0.00 O ATOM 530 CB ASP A 36 0.659 3.290 7.982 1.00 0.00 C ATOM 531 CG ASP A 36 1.319 2.463 9.066 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.221 1.663 8.739 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.934 2.615 10.245 1.00 0.00 O ATOM 0 H ASP A 36 0.024 5.145 6.375 1.00 0.00 H new ATOM 0 HA ASP A 36 2.423 4.502 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.096 3.935 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.141 2.628 7.288 1.00 0.00 H new ATOM 538 N SER A 37 3.613 3.579 5.879 1.00 0.00 N ATOM 539 CA SER A 37 4.342 2.865 4.844 1.00 0.00 C ATOM 540 C SER A 37 4.792 1.502 5.343 1.00 0.00 C ATOM 541 O SER A 37 4.876 1.264 6.548 1.00 0.00 O ATOM 542 CB SER A 37 5.553 3.680 4.384 1.00 0.00 C ATOM 543 OG SER A 37 6.574 3.673 5.366 1.00 0.00 O ATOM 0 H SER A 37 4.163 4.275 6.383 1.00 0.00 H new ATOM 0 HA SER A 37 3.671 2.720 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.939 3.269 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.248 4.706 4.179 1.00 0.00 H new ATOM 0 HG SER A 37 7.154 4.453 5.241 1.00 0.00 H new ATOM 549 N ILE A 38 5.048 0.601 4.405 1.00 0.00 N ATOM 550 CA ILE A 38 5.457 -0.752 4.739 1.00 0.00 C ATOM 551 C ILE A 38 6.182 -1.407 3.567 1.00 0.00 C ATOM 552 O ILE A 38 5.798 -1.232 2.411 1.00 0.00 O ATOM 553 CB ILE A 38 4.223 -1.598 5.130 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.534 -3.097 5.070 1.00 0.00 C ATOM 555 CG2 ILE A 38 3.051 -1.252 4.220 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.828 -3.903 6.139 1.00 0.00 C ATOM 0 H ILE A 38 4.979 0.785 3.404 1.00 0.00 H new ATOM 0 HA ILE A 38 6.143 -0.701 5.585 1.00 0.00 H new ATOM 0 HB ILE A 38 3.955 -1.362 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.250 -3.480 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.610 -3.241 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.184 -1.851 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.810 -0.194 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.319 -1.463 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.094 -4.955 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.131 -3.546 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.750 -3.789 6.028 1.00 0.00 H new ATOM 568 N VAL A 39 7.229 -2.164 3.874 1.00 0.00 N ATOM 569 CA VAL A 39 8.006 -2.843 2.846 1.00 0.00 C ATOM 570 C VAL A 39 7.933 -4.357 3.014 1.00 0.00 C ATOM 571 O VAL A 39 8.375 -4.896 4.029 1.00 0.00 O ATOM 572 CB VAL A 39 9.481 -2.406 2.874 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.229 -2.977 1.680 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.587 -0.889 2.902 1.00 0.00 C ATOM 0 H VAL A 39 7.559 -2.322 4.826 1.00 0.00 H new ATOM 0 HA VAL A 39 7.572 -2.564 1.886 1.00 0.00 H new ATOM 0 HB VAL A 39 9.940 -2.797 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.270 -2.657 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.182 -4.066 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.771 -2.618 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.637 -0.598 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.112 -0.475 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.088 -0.506 3.792 1.00 0.00 H new ATOM 584 N LEU A 40 7.377 -5.045 2.017 1.00 0.00 N ATOM 585 CA LEU A 40 7.259 -6.497 2.072 1.00 0.00 C ATOM 586 C LEU A 40 8.104 -7.146 0.984 1.00 0.00 C ATOM 587 O LEU A 40 7.986 -6.811 -0.195 1.00 0.00 O ATOM 588 CB LEU A 40 5.788 -6.919 1.934 1.00 0.00 C ATOM 589 CG LEU A 40 5.536 -8.229 1.174 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.399 -9.356 1.728 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.061 -8.601 1.237 1.00 0.00 C ATOM 0 H LEU A 40 7.004 -4.621 1.168 1.00 0.00 H new ATOM 0 HA LEU A 40 7.629 -6.836 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.362 -7.013 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.246 -6.119 1.430 1.00 0.00 H new ATOM 0 HG LEU A 40 5.812 -8.077 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.201 -10.273 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.452 -9.091 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.162 -9.512 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.897 -9.532 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.763 -8.730 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.466 -7.808 0.785 1.00 0.00 H new ATOM 603 N LEU A 41 8.956 -8.076 1.389 1.00 0.00 N ATOM 604 CA LEU A 41 9.824 -8.775 0.454 1.00 0.00 C ATOM 605 C LEU A 41 9.136 -10.010 -0.123 1.00 0.00 C ATOM 606 O LEU A 41 8.886 -10.986 0.586 1.00 0.00 O ATOM 607 CB LEU A 41 11.134 -9.173 1.143 1.00 0.00 C ATOM 608 CG LEU A 41 11.992 -10.192 0.388 1.00 0.00 C ATOM 609 CD1 LEU A 41 12.066 -9.840 -1.089 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.388 -10.267 0.992 1.00 0.00 C ATOM 0 H LEU A 41 9.065 -8.364 2.361 1.00 0.00 H new ATOM 0 HA LEU A 41 10.046 -8.097 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.727 -8.273 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.898 -9.580 2.126 1.00 0.00 H new ATOM 0 HG LEU A 41 11.524 -11.172 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.680 -10.576 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.062 -9.840 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.509 -8.851 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.983 -10.996 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.864 -9.289 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.317 -10.570 2.037 1.00 0.00 H new ATOM 622 N LYS A 42 8.872 -9.970 -1.424 1.00 0.00 N ATOM 623 CA LYS A 42 8.258 -11.090 -2.120 1.00 0.00 C ATOM 624 C LYS A 42 9.342 -11.871 -2.853 1.00 0.00 C ATOM 625 O LYS A 42 10.468 -11.403 -2.968 1.00 0.00 O ATOM 626 CB LYS A 42 7.176 -10.625 -3.096 1.00 0.00 C ATOM 627 CG LYS A 42 7.729 -10.041 -4.380 1.00 0.00 C ATOM 628 CD LYS A 42 7.817 -11.086 -5.481 1.00 0.00 C ATOM 629 CE LYS A 42 8.861 -10.722 -6.509 1.00 0.00 C ATOM 630 NZ LYS A 42 8.358 -10.892 -7.900 1.00 0.00 N ATOM 0 H LYS A 42 9.076 -9.167 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 42 7.770 -11.733 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.530 -11.469 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.553 -9.877 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.094 -9.219 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.719 -9.624 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.057 -12.056 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.846 -11.187 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.171 -9.688 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.744 -11.344 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.145 -10.780 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.945 -11.841 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.632 -10.174 -8.097 1.00 0.00 H new ATOM 644 N ASP A 43 9.005 -13.063 -3.314 1.00 0.00 N ATOM 645 CA ASP A 43 9.965 -13.914 -4.009 1.00 0.00 C ATOM 646 C ASP A 43 10.643 -13.214 -5.194 1.00 0.00 C ATOM 647 O ASP A 43 10.479 -13.634 -6.340 1.00 0.00 O ATOM 648 CB ASP A 43 9.277 -15.193 -4.487 1.00 0.00 C ATOM 649 CG ASP A 43 10.226 -16.377 -4.528 1.00 0.00 C ATOM 650 OD1 ASP A 43 11.368 -16.206 -5.004 1.00 0.00 O ATOM 651 OD2 ASP A 43 9.826 -17.474 -4.085 1.00 0.00 O ATOM 0 H ASP A 43 8.073 -13.467 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 43 10.750 -14.153 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.442 -15.423 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.861 -15.029 -5.481 1.00 0.00 H new ATOM 656 N GLY A 44 11.432 -12.166 -4.922 1.00 0.00 N ATOM 657 CA GLY A 44 12.134 -11.481 -5.998 1.00 0.00 C ATOM 658 C GLY A 44 12.083 -9.958 -5.942 1.00 0.00 C ATOM 659 O GLY A 44 12.944 -9.300 -6.525 1.00 0.00 O ATOM 0 H GLY A 44 11.593 -11.787 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.178 -11.794 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.714 -11.808 -6.949 1.00 0.00 H new ATOM 663 N LEU A 45 11.085 -9.382 -5.272 1.00 0.00 N ATOM 664 CA LEU A 45 10.973 -7.919 -5.208 1.00 0.00 C ATOM 665 C LEU A 45 10.468 -7.421 -3.854 1.00 0.00 C ATOM 666 O LEU A 45 9.886 -8.170 -3.075 1.00 0.00 O ATOM 667 CB LEU A 45 10.017 -7.399 -6.292 1.00 0.00 C ATOM 668 CG LEU A 45 10.178 -8.015 -7.682 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.121 -7.468 -8.630 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.571 -7.744 -8.224 1.00 0.00 C ATOM 0 H LEU A 45 10.354 -9.891 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 45 11.982 -7.537 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.994 -7.569 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.149 -6.320 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 45 10.044 -9.094 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.249 -7.916 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.129 -7.710 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.226 -6.386 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.669 -8.189 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.732 -6.668 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.313 -8.180 -7.555 1.00 0.00 H new ATOM 682 N TYR A 46 10.670 -6.126 -3.616 1.00 0.00 N ATOM 683 CA TYR A 46 10.213 -5.470 -2.395 1.00 0.00 C ATOM 684 C TYR A 46 9.072 -4.517 -2.731 1.00 0.00 C ATOM 685 O TYR A 46 9.166 -3.744 -3.685 1.00 0.00 O ATOM 686 CB TYR A 46 11.353 -4.695 -1.731 1.00 0.00 C ATOM 687 CG TYR A 46 12.314 -5.561 -0.954 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.208 -6.388 -1.612 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.323 -5.553 0.434 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.091 -7.186 -0.911 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.204 -6.347 1.145 1.00 0.00 C ATOM 692 CZ TYR A 46 14.086 -7.162 0.468 1.00 0.00 C ATOM 693 OH TYR A 46 14.964 -7.954 1.171 1.00 0.00 O ATOM 0 H TYR A 46 11.154 -5.504 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 46 9.867 -6.233 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.907 -4.155 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.928 -3.949 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.215 -6.410 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.631 -4.917 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.782 -7.826 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.201 -6.329 2.225 1.00 0.00 H new ATOM 0 HH TYR A 46 14.830 -7.817 2.132 1.00 0.00 H new ATOM 703 N LYS A 47 7.992 -4.581 -1.968 1.00 0.00 N ATOM 704 CA LYS A 47 6.838 -3.725 -2.217 1.00 0.00 C ATOM 705 C LYS A 47 6.713 -2.625 -1.179 1.00 0.00 C ATOM 706 O LYS A 47 7.065 -2.805 -0.017 1.00 0.00 O ATOM 707 CB LYS A 47 5.557 -4.555 -2.242 1.00 0.00 C ATOM 708 CG LYS A 47 5.264 -5.149 -3.602 1.00 0.00 C ATOM 709 CD LYS A 47 6.258 -6.240 -3.946 1.00 0.00 C ATOM 710 CE LYS A 47 5.882 -7.560 -3.300 1.00 0.00 C ATOM 711 NZ LYS A 47 4.997 -8.377 -4.176 1.00 0.00 N ATOM 0 H LYS A 47 7.888 -5.213 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 47 6.989 -3.255 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.637 -5.359 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.719 -3.929 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.253 -5.557 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.301 -4.366 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.304 -6.364 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.254 -5.943 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.787 -8.123 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.378 -7.370 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.955 -9.351 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.041 -7.968 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.376 -8.382 -5.144 1.00 0.00 H new ATOM 725 N VAL A 48 6.199 -1.484 -1.618 1.00 0.00 N ATOM 726 CA VAL A 48 6.008 -0.339 -0.744 1.00 0.00 C ATOM 727 C VAL A 48 4.536 0.057 -0.694 1.00 0.00 C ATOM 728 O VAL A 48 4.006 0.648 -1.635 1.00 0.00 O ATOM 729 CB VAL A 48 6.859 0.854 -1.212 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.588 2.089 -0.362 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.336 0.487 -1.181 1.00 0.00 C ATOM 0 H VAL A 48 5.905 -1.328 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 48 6.330 -0.623 0.258 1.00 0.00 H new ATOM 0 HB VAL A 48 6.581 1.094 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.203 2.916 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.535 2.361 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.831 1.875 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.930 1.338 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.623 0.220 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.514 -0.361 -1.843 1.00 0.00 H new ATOM 741 N GLN A 49 3.879 -0.288 0.410 1.00 0.00 N ATOM 742 CA GLN A 49 2.463 0.012 0.590 1.00 0.00 C ATOM 743 C GLN A 49 2.254 1.094 1.645 1.00 0.00 C ATOM 744 O GLN A 49 2.937 1.117 2.668 1.00 0.00 O ATOM 745 CB GLN A 49 1.713 -1.262 0.990 1.00 0.00 C ATOM 746 CG GLN A 49 0.209 -1.176 0.796 1.00 0.00 C ATOM 747 CD GLN A 49 -0.501 -2.457 1.193 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.141 -3.106 0.367 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.387 -2.827 2.464 1.00 0.00 N ATOM 0 H GLN A 49 4.307 -0.777 1.196 1.00 0.00 H new ATOM 0 HA GLN A 49 2.071 0.386 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.098 -2.097 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.923 -1.482 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.184 -0.348 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.007 -0.953 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.154 -2.257 3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.841 -3.681 2.789 1.00 0.00 H new ATOM 758 N ILE A 50 1.296 1.982 1.391 1.00 0.00 N ATOM 759 CA ILE A 50 0.985 3.058 2.320 1.00 0.00 C ATOM 760 C ILE A 50 -0.522 3.217 2.512 1.00 0.00 C ATOM 761 O ILE A 50 -1.275 3.419 1.561 1.00 0.00 O ATOM 762 CB ILE A 50 1.610 4.387 1.871 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.256 4.712 0.416 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.118 4.310 2.053 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.192 5.770 0.277 1.00 0.00 C ATOM 0 H ILE A 50 0.723 1.975 0.547 1.00 0.00 H new ATOM 0 HA ILE A 50 1.421 2.784 3.280 1.00 0.00 H new ATOM 0 HB ILE A 50 1.206 5.192 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.156 5.043 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.919 3.802 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.571 5.250 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.349 4.131 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.516 3.494 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.008 5.949 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.722 5.434 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.535 6.694 0.743 1.00 0.00 H new ATOM 777 N GLY A 51 -0.934 3.129 3.769 1.00 0.00 N ATOM 778 CA GLY A 51 -2.335 3.267 4.123 1.00 0.00 C ATOM 779 C GLY A 51 -3.130 1.997 3.893 1.00 0.00 C ATOM 780 O GLY A 51 -3.393 1.619 2.750 1.00 0.00 O ATOM 0 H GLY A 51 -0.314 2.962 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.413 3.553 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.774 4.075 3.538 1.00 0.00 H new ATOM 784 N ALA A 52 -3.526 1.346 4.981 1.00 0.00 N ATOM 785 CA ALA A 52 -4.308 0.118 4.901 1.00 0.00 C ATOM 786 C ALA A 52 -5.524 0.202 5.818 1.00 0.00 C ATOM 787 O ALA A 52 -5.388 0.246 7.040 1.00 0.00 O ATOM 788 CB ALA A 52 -3.449 -1.083 5.269 1.00 0.00 C ATOM 0 H ALA A 52 -3.317 1.650 5.932 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.655 -0.005 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.047 -1.992 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.607 -1.153 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.076 -0.966 6.287 1.00 0.00 H new ATOM 794 N PHE A 53 -6.713 0.238 5.222 1.00 0.00 N ATOM 795 CA PHE A 53 -7.947 0.334 5.996 1.00 0.00 C ATOM 796 C PHE A 53 -8.960 -0.719 5.562 1.00 0.00 C ATOM 797 O PHE A 53 -8.779 -1.400 4.551 1.00 0.00 O ATOM 798 CB PHE A 53 -8.559 1.731 5.855 1.00 0.00 C ATOM 799 CG PHE A 53 -7.542 2.835 5.769 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.773 2.998 4.627 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.356 3.709 6.828 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.837 4.013 4.543 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.423 4.725 6.750 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.663 4.877 5.608 1.00 0.00 C ATOM 0 H PHE A 53 -6.848 0.202 4.212 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.695 0.155 7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.184 1.755 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.213 1.918 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.906 2.325 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.947 3.595 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.244 4.130 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.288 5.400 7.582 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.933 5.670 5.546 1.00 0.00 H new ATOM 814 N SER A 54 -10.033 -0.840 6.339 1.00 0.00 N ATOM 815 CA SER A 54 -11.089 -1.801 6.047 1.00 0.00 C ATOM 816 C SER A 54 -12.023 -1.275 4.961 1.00 0.00 C ATOM 817 O SER A 54 -12.757 -2.044 4.342 1.00 0.00 O ATOM 818 CB SER A 54 -11.887 -2.110 7.314 1.00 0.00 C ATOM 819 OG SER A 54 -12.553 -3.357 7.208 1.00 0.00 O ATOM 0 H SER A 54 -10.193 -0.282 7.178 1.00 0.00 H new ATOM 0 HA SER A 54 -10.622 -2.717 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.218 -2.124 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.616 -1.319 7.490 1.00 0.00 H new ATOM 0 HG SER A 54 -13.054 -3.531 8.032 1.00 0.00 H new ATOM 825 N SER A 55 -11.992 0.036 4.731 1.00 0.00 N ATOM 826 CA SER A 55 -12.839 0.654 3.716 1.00 0.00 C ATOM 827 C SER A 55 -11.999 1.257 2.591 1.00 0.00 C ATOM 828 O SER A 55 -10.966 1.880 2.837 1.00 0.00 O ATOM 829 CB SER A 55 -13.722 1.733 4.344 1.00 0.00 C ATOM 830 OG SER A 55 -14.868 1.164 4.954 1.00 0.00 O ATOM 0 H SER A 55 -11.390 0.689 5.233 1.00 0.00 H new ATOM 0 HA SER A 55 -13.474 -0.123 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.149 2.289 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.030 2.446 3.579 1.00 0.00 H new ATOM 0 HG SER A 55 -15.415 1.875 5.349 1.00 0.00 H new ATOM 836 N LYS A 56 -12.451 1.058 1.357 1.00 0.00 N ATOM 837 CA LYS A 56 -11.746 1.572 0.188 1.00 0.00 C ATOM 838 C LYS A 56 -11.656 3.095 0.210 1.00 0.00 C ATOM 839 O LYS A 56 -10.637 3.668 -0.175 1.00 0.00 O ATOM 840 CB LYS A 56 -12.437 1.123 -1.095 1.00 0.00 C ATOM 841 CG LYS A 56 -11.667 1.506 -2.345 1.00 0.00 C ATOM 842 CD LYS A 56 -11.732 0.409 -3.393 1.00 0.00 C ATOM 843 CE LYS A 56 -13.139 0.239 -3.942 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.152 0.175 -5.430 1.00 0.00 N ATOM 0 H LYS A 56 -13.304 0.543 1.140 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.734 1.167 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.568 0.041 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.433 1.563 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.075 2.429 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.627 1.704 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.049 0.644 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.395 -0.531 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.579 -0.672 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.761 1.070 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.130 0.059 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.756 1.054 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.579 -0.633 -5.748 1.00 0.00 H new ATOM 858 N ASP A 57 -12.730 3.747 0.652 1.00 0.00 N ATOM 859 CA ASP A 57 -12.766 5.209 0.711 1.00 0.00 C ATOM 860 C ASP A 57 -11.482 5.764 1.322 1.00 0.00 C ATOM 861 O ASP A 57 -11.031 6.852 0.967 1.00 0.00 O ATOM 862 CB ASP A 57 -13.984 5.684 1.512 1.00 0.00 C ATOM 863 CG ASP A 57 -13.898 5.317 2.983 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.126 4.398 3.321 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.604 5.953 3.794 1.00 0.00 O ATOM 0 H ASP A 57 -13.583 3.290 0.973 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.848 5.585 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.077 6.766 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.887 5.248 1.085 1.00 0.00 H new ATOM 870 N ASN A 58 -10.899 5.001 2.238 1.00 0.00 N ATOM 871 CA ASN A 58 -9.663 5.405 2.894 1.00 0.00 C ATOM 872 C ASN A 58 -8.487 5.280 1.933 1.00 0.00 C ATOM 873 O ASN A 58 -7.691 6.207 1.783 1.00 0.00 O ATOM 874 CB ASN A 58 -9.417 4.557 4.142 1.00 0.00 C ATOM 875 CG ASN A 58 -10.481 4.766 5.200 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.428 5.723 5.972 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.457 3.865 5.244 1.00 0.00 N ATOM 0 H ASN A 58 -11.263 4.098 2.543 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.759 6.448 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.388 3.504 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.440 4.803 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.200 3.952 5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.463 3.087 4.585 1.00 0.00 H new ATOM 884 N ALA A 59 -8.389 4.126 1.279 1.00 0.00 N ATOM 885 CA ALA A 59 -7.318 3.873 0.323 1.00 0.00 C ATOM 886 C ALA A 59 -7.312 4.923 -0.780 1.00 0.00 C ATOM 887 O ALA A 59 -6.257 5.413 -1.168 1.00 0.00 O ATOM 888 CB ALA A 59 -7.471 2.484 -0.272 1.00 0.00 C ATOM 0 H ALA A 59 -9.041 3.350 1.395 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.366 3.932 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.667 2.303 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.425 1.740 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.432 2.410 -0.782 1.00 0.00 H new ATOM 894 N ASP A 60 -8.493 5.259 -1.285 1.00 0.00 N ATOM 895 CA ASP A 60 -8.613 6.251 -2.347 1.00 0.00 C ATOM 896 C ASP A 60 -8.079 7.605 -1.891 1.00 0.00 C ATOM 897 O ASP A 60 -7.280 8.233 -2.584 1.00 0.00 O ATOM 898 CB ASP A 60 -10.072 6.387 -2.785 1.00 0.00 C ATOM 899 CG ASP A 60 -10.570 5.166 -3.532 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.131 4.046 -3.197 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.398 5.330 -4.454 1.00 0.00 O ATOM 0 H ASP A 60 -9.380 4.860 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.017 5.912 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.697 6.552 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.177 7.266 -3.421 1.00 0.00 H new ATOM 906 N THR A 61 -8.524 8.048 -0.719 1.00 0.00 N ATOM 907 CA THR A 61 -8.089 9.328 -0.172 1.00 0.00 C ATOM 908 C THR A 61 -6.581 9.337 0.055 1.00 0.00 C ATOM 909 O THR A 61 -5.925 10.364 -0.113 1.00 0.00 O ATOM 910 CB THR A 61 -8.817 9.618 1.142 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.162 9.181 1.075 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.829 11.086 1.509 1.00 0.00 C ATOM 0 H THR A 61 -9.185 7.540 -0.131 1.00 0.00 H new ATOM 0 HA THR A 61 -8.334 10.107 -0.894 1.00 0.00 H new ATOM 0 HB THR A 61 -8.262 9.074 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.212 8.235 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.361 11.221 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.805 11.443 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.330 11.653 0.725 1.00 0.00 H new ATOM 920 N LEU A 62 -6.034 8.181 0.417 1.00 0.00 N ATOM 921 CA LEU A 62 -4.601 8.044 0.652 1.00 0.00 C ATOM 922 C LEU A 62 -3.858 8.111 -0.655 1.00 0.00 C ATOM 923 O LEU A 62 -2.900 8.866 -0.817 1.00 0.00 O ATOM 924 CB LEU A 62 -4.293 6.682 1.260 1.00 0.00 C ATOM 925 CG LEU A 62 -3.088 6.644 2.195 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.912 7.370 1.565 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.438 7.257 3.543 1.00 0.00 C ATOM 0 H LEU A 62 -6.565 7.321 0.555 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.296 8.848 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.170 6.341 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.127 5.970 0.451 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.806 5.604 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.058 7.336 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.648 6.887 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.184 8.408 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.566 7.221 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.744 8.294 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.255 6.696 3.997 1.00 0.00 H new ATOM 939 N ALA A 63 -4.302 7.272 -1.573 1.00 0.00 N ATOM 940 CA ALA A 63 -3.682 7.176 -2.862 1.00 0.00 C ATOM 941 C ALA A 63 -3.627 8.541 -3.539 1.00 0.00 C ATOM 942 O ALA A 63 -2.553 9.034 -3.883 1.00 0.00 O ATOM 943 CB ALA A 63 -4.414 6.168 -3.738 1.00 0.00 C ATOM 0 H ALA A 63 -5.097 6.647 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.659 6.826 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.927 6.111 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.390 5.188 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.449 6.483 -3.868 1.00 0.00 H new ATOM 949 N ALA A 64 -4.799 9.150 -3.714 1.00 0.00 N ATOM 950 CA ALA A 64 -4.892 10.466 -4.335 1.00 0.00 C ATOM 951 C ALA A 64 -3.956 11.446 -3.644 1.00 0.00 C ATOM 952 O ALA A 64 -3.328 12.286 -4.289 1.00 0.00 O ATOM 953 CB ALA A 64 -6.326 10.973 -4.288 1.00 0.00 C ATOM 0 H ALA A 64 -5.695 8.752 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.590 10.380 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.380 11.956 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.975 10.280 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.652 11.046 -3.251 1.00 0.00 H new ATOM 959 N ARG A 65 -3.852 11.318 -2.325 1.00 0.00 N ATOM 960 CA ARG A 65 -2.973 12.171 -1.543 1.00 0.00 C ATOM 961 C ARG A 65 -1.524 11.907 -1.925 1.00 0.00 C ATOM 962 O ARG A 65 -0.712 12.828 -2.007 1.00 0.00 O ATOM 963 CB ARG A 65 -3.181 11.914 -0.051 1.00 0.00 C ATOM 964 CG ARG A 65 -2.892 13.117 0.827 1.00 0.00 C ATOM 965 CD ARG A 65 -3.257 12.841 2.276 1.00 0.00 C ATOM 966 NE ARG A 65 -3.929 13.979 2.898 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.218 14.267 2.724 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.974 13.504 1.945 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.750 15.319 3.330 1.00 0.00 N ATOM 0 H ARG A 65 -4.368 10.629 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.210 13.214 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.211 11.596 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.540 11.089 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.835 13.375 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.454 13.978 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.905 11.966 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.354 12.602 2.838 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.378 14.590 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.569 12.694 1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.961 13.728 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.172 15.908 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.737 15.539 3.197 1.00 0.00 H new ATOM 983 N ALA A 66 -1.215 10.638 -2.176 1.00 0.00 N ATOM 984 CA ALA A 66 0.127 10.247 -2.574 1.00 0.00 C ATOM 985 C ALA A 66 0.450 10.844 -3.931 1.00 0.00 C ATOM 986 O ALA A 66 1.540 11.368 -4.147 1.00 0.00 O ATOM 987 CB ALA A 66 0.264 8.733 -2.592 1.00 0.00 C ATOM 0 H ALA A 66 -1.878 9.866 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 66 0.841 10.631 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.276 8.463 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.063 8.338 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.449 8.312 -3.300 1.00 0.00 H new ATOM 993 N LYS A 67 -0.519 10.784 -4.838 1.00 0.00 N ATOM 994 CA LYS A 67 -0.347 11.344 -6.166 1.00 0.00 C ATOM 995 C LYS A 67 -0.098 12.841 -6.067 1.00 0.00 C ATOM 996 O LYS A 67 0.825 13.374 -6.683 1.00 0.00 O ATOM 997 CB LYS A 67 -1.574 11.063 -7.028 1.00 0.00 C ATOM 998 CG LYS A 67 -1.664 9.620 -7.488 1.00 0.00 C ATOM 999 CD LYS A 67 -0.531 9.263 -8.436 1.00 0.00 C ATOM 1000 CE LYS A 67 -0.632 10.032 -9.745 1.00 0.00 C ATOM 1001 NZ LYS A 67 -0.896 9.129 -10.899 1.00 0.00 N ATOM 0 H LYS A 67 -1.429 10.353 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 67 0.516 10.873 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.472 11.314 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.554 11.715 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.636 8.959 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.620 9.455 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.425 9.479 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.550 8.192 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.430 10.771 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.295 10.580 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.612 9.601 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.350 8.251 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.910 8.903 -10.938 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.913 13.508 -5.260 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.772 14.939 -5.043 1.00 0.00 C ATOM 1017 C ASN A 68 0.489 15.215 -4.231 1.00 0.00 C ATOM 1018 O ASN A 68 1.073 16.296 -4.307 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.998 15.487 -4.309 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.226 16.961 -4.581 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.393 17.374 -5.728 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.233 17.763 -3.522 1.00 0.00 N ATOM 0 H ASN A 68 -1.681 13.078 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.692 15.437 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.881 14.924 -4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.875 15.333 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.381 18.765 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.090 17.377 -2.589 1.00 0.00 H new ATOM 1029 N ALA A 69 0.902 14.216 -3.454 1.00 0.00 N ATOM 1030 CA ALA A 69 2.091 14.316 -2.619 1.00 0.00 C ATOM 1031 C ALA A 69 3.362 14.168 -3.447 1.00 0.00 C ATOM 1032 O ALA A 69 4.435 14.613 -3.039 1.00 0.00 O ATOM 1033 CB ALA A 69 2.047 13.250 -1.535 1.00 0.00 C ATOM 0 H ALA A 69 0.422 13.318 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 69 2.104 15.304 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.938 13.328 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.160 13.394 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.012 12.263 -1.996 1.00 0.00 H new ATOM 1039 N GLY A 70 3.238 13.529 -4.605 1.00 0.00 N ATOM 1040 CA GLY A 70 4.384 13.317 -5.465 1.00 0.00 C ATOM 1041 C GLY A 70 4.747 11.851 -5.553 1.00 0.00 C ATOM 1042 O GLY A 70 5.890 11.498 -5.841 1.00 0.00 O ATOM 0 H GLY A 70 2.360 13.153 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.168 13.700 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.235 13.882 -5.085 1.00 0.00 H new ATOM 1046 N PHE A 71 3.765 10.996 -5.285 1.00 0.00 N ATOM 1047 CA PHE A 71 3.963 9.557 -5.313 1.00 0.00 C ATOM 1048 C PHE A 71 2.862 8.901 -6.138 1.00 0.00 C ATOM 1049 O PHE A 71 1.731 9.380 -6.159 1.00 0.00 O ATOM 1050 CB PHE A 71 3.936 9.005 -3.888 1.00 0.00 C ATOM 1051 CG PHE A 71 4.452 9.971 -2.856 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.689 10.575 -3.012 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.695 10.281 -1.735 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.164 11.468 -2.070 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.165 11.175 -0.790 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.403 11.768 -0.959 1.00 0.00 C ATOM 0 H PHE A 71 2.816 11.282 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 71 4.930 9.337 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.913 8.728 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.532 8.093 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.289 10.345 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.728 9.819 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.131 11.931 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.567 11.409 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.774 12.465 -0.222 1.00 0.00 H new ATOM 1066 N ASP A 72 3.181 7.801 -6.802 1.00 0.00 N ATOM 1067 CA ASP A 72 2.192 7.100 -7.610 1.00 0.00 C ATOM 1068 C ASP A 72 1.496 6.022 -6.788 1.00 0.00 C ATOM 1069 O ASP A 72 1.770 4.834 -6.956 1.00 0.00 O ATOM 1070 CB ASP A 72 2.856 6.477 -8.841 1.00 0.00 C ATOM 1071 CG ASP A 72 1.853 5.800 -9.757 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.856 6.452 -10.129 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.067 4.618 -10.100 1.00 0.00 O ATOM 0 H ASP A 72 4.108 7.376 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 72 1.445 7.821 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.386 7.251 -9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.600 5.749 -8.520 1.00 0.00 H new ATOM 1078 N ALA A 73 0.591 6.436 -5.900 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.131 5.489 -5.058 1.00 0.00 C ATOM 1080 C ALA A 73 -1.369 4.936 -5.758 1.00 0.00 C ATOM 1081 O ALA A 73 -2.079 5.657 -6.460 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.534 6.146 -3.748 1.00 0.00 C ATOM 0 H ALA A 73 0.344 7.414 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 73 0.542 4.656 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.072 5.427 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.358 6.482 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.178 7.001 -3.953 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.623 3.652 -5.541 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.777 2.980 -6.120 1.00 0.00 C ATOM 1090 C ILE A 74 -3.488 2.156 -5.052 1.00 0.00 C ATOM 1091 O ILE A 74 -2.864 1.717 -4.090 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.374 2.060 -7.289 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.382 0.992 -6.816 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.780 2.881 -8.425 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.924 -0.417 -6.913 1.00 0.00 C ATOM 0 H ILE A 74 -1.038 3.050 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.446 3.749 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.267 1.555 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.471 1.065 -7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.105 1.196 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.500 2.219 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.518 3.602 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.897 3.411 -8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.170 -1.122 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.819 -0.506 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.174 -0.640 -7.950 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.785 1.941 -5.220 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.548 1.166 -4.249 1.00 0.00 C ATOM 1109 C VAL A 75 -5.856 -0.228 -4.779 1.00 0.00 C ATOM 1110 O VAL A 75 -6.223 -0.398 -5.941 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.864 1.874 -3.859 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.714 0.988 -2.955 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.564 3.203 -3.180 1.00 0.00 C ATOM 0 H VAL A 75 -5.328 2.288 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.927 1.079 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.433 2.067 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.635 1.510 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.957 0.062 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.159 0.757 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.499 3.693 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.974 3.027 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.004 3.842 -3.863 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.704 -1.223 -3.912 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.965 -2.605 -4.281 1.00 0.00 C ATOM 1125 C ILE A 76 -6.733 -3.333 -3.184 1.00 0.00 C ATOM 1126 O ILE A 76 -6.425 -3.195 -1.995 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.655 -3.367 -4.567 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.658 -3.157 -3.426 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.058 -2.914 -5.890 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.651 -4.277 -3.291 1.00 0.00 C ATOM 0 H ILE A 76 -5.400 -1.095 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.569 -2.581 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.878 -4.432 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.127 -2.219 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.206 -3.057 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.134 -3.461 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.766 -3.110 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.845 -1.846 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.976 -4.062 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.173 -5.214 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.077 -4.363 -4.214 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.735 -4.105 -3.592 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.554 -4.863 -2.659 1.00 0.00 C ATOM 1144 C LEU A 77 -8.145 -6.334 -2.664 1.00 0.00 C ATOM 1145 O LEU A 77 -8.441 -7.065 -3.609 1.00 0.00 O ATOM 1146 CB LEU A 77 -10.035 -4.717 -3.024 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.965 -5.769 -2.418 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -10.934 -5.700 -0.899 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.385 -5.588 -2.933 1.00 0.00 C ATOM 0 H LEU A 77 -7.999 -4.221 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.400 -4.468 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.374 -3.731 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.130 -4.754 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.612 -6.754 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.602 -6.456 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.919 -5.882 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.259 -4.712 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.032 -6.346 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.748 -4.597 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.394 -5.692 -4.018 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.464 -6.761 -1.607 1.00 0.00 N ATOM 1162 CA GLU A 78 -7.012 -8.143 -1.493 1.00 0.00 C ATOM 1163 C GLU A 78 -7.896 -8.931 -0.532 1.00 0.00 C ATOM 1164 O GLU A 78 -8.238 -8.449 0.549 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.559 -8.190 -1.022 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.570 -7.654 -2.046 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.305 -8.487 -2.126 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.846 -8.971 -1.072 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.776 -8.654 -3.244 1.00 0.00 O ATOM 0 H GLU A 78 -7.212 -6.169 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.082 -8.602 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.465 -7.613 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.297 -9.220 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.046 -7.628 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.309 -6.627 -1.791 1.00 0.00 H new ATOM 1176 N SER A 79 -8.263 -10.144 -0.932 1.00 0.00 N ATOM 1177 CA SER A 79 -9.105 -10.999 -0.105 1.00 0.00 C ATOM 1178 C SER A 79 -8.260 -11.988 0.691 1.00 0.00 C ATOM 1179 O SER A 79 -8.849 -12.846 1.385 1.00 0.00 O ATOM 1180 CB SER A 79 -10.112 -11.754 -0.978 1.00 0.00 C ATOM 1181 OG SER A 79 -11.390 -11.143 -0.926 1.00 0.00 O ATOM 1182 OXT SER A 79 -7.017 -11.898 0.617 1.00 0.00 O ATOM 0 H SER A 79 -7.990 -10.557 -1.824 1.00 0.00 H new ATOM 0 HA SER A 79 -9.647 -10.366 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.758 -11.778 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.186 -12.788 -0.642 1.00 0.00 H new ATOM 0 HG SER A 79 -12.015 -11.642 -1.493 1.00 0.00 H new TER 1188 SER A 79