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+ -144:sc= 0.289 (180deg=0.207) USER MOD Set 1.2: A 49 GLN : amide:sc= -2.87 K(o=-2.6,f=-3.7!) USER MOD Single : A 1 LEU N :NH3+ 143:sc= -0.0178 (180deg=-0.314) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.48) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.2!) 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= -17.1! C(o=-17!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -156:sc= -2.51! USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= -2.18 (180deg=-6.35!) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.2! USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= -1.74 (180deg=-1.83) 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+ 178:sc= 0.0798 (180deg=0.0784) USER MOD Single : A 58 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.57) USER MOD Single : A 61 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc=-0.00869 X(o=-0.0087,f=0.41) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0479 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.115 -14.067 12.416 1.00 0.00 N ATOM 2 CA LEU A 1 -12.210 -14.264 13.579 1.00 0.00 C ATOM 3 C LEU A 1 -11.178 -15.351 13.297 1.00 0.00 C ATOM 4 O LEU A 1 -9.972 -15.100 13.327 1.00 0.00 O ATOM 5 CB LEU A 1 -13.057 -14.640 14.797 1.00 0.00 C ATOM 6 CG LEU A 1 -13.382 -13.481 15.741 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.105 -12.858 16.281 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.228 -12.436 15.029 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.078 -13.869 12.755 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.777 -13.266 11.845 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.124 -14.928 11.833 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.666 -13.339 13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.992 -15.079 14.449 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.533 -15.412 15.361 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.954 -13.872 16.582 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.356 -12.035 16.951 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.536 -13.610 16.828 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -11.505 -12.481 15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -14.450 -11.619 15.715 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -13.681 -12.049 14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.160 -12.890 14.692 1.00 0.00 H new ATOM 22 N LYS A 2 -11.658 -16.559 13.024 1.00 0.00 N ATOM 23 CA LYS A 2 -10.776 -17.685 12.736 1.00 0.00 C ATOM 24 C LYS A 2 -11.274 -18.473 11.530 1.00 0.00 C ATOM 25 O LYS A 2 -12.479 -18.630 11.332 1.00 0.00 O ATOM 26 CB LYS A 2 -10.675 -18.605 13.954 1.00 0.00 C ATOM 27 CG LYS A 2 -9.824 -18.036 15.078 1.00 0.00 C ATOM 28 CD LYS A 2 -8.350 -18.341 14.868 1.00 0.00 C ATOM 29 CE LYS A 2 -7.474 -17.170 15.287 1.00 0.00 C ATOM 30 NZ LYS A 2 -7.108 -17.237 16.728 1.00 0.00 N ATOM 0 H LYS A 2 -12.652 -16.784 12.996 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.787 -17.289 12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.678 -18.803 14.333 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.257 -19.562 13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.969 -16.957 15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.151 -18.453 16.031 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.075 -19.226 15.442 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.171 -18.573 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.567 -17.161 14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.999 -16.235 15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.511 -16.421 16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.972 -17.220 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.585 -18.117 16.913 1.00 0.00 H new ATOM 44 N LYS A 3 -10.338 -18.967 10.725 1.00 0.00 N ATOM 45 CA LYS A 3 -10.681 -19.740 9.537 1.00 0.00 C ATOM 46 C LYS A 3 -11.526 -18.913 8.573 1.00 0.00 C ATOM 47 O LYS A 3 -12.755 -18.906 8.660 1.00 0.00 O ATOM 48 CB LYS A 3 -11.433 -21.013 9.931 1.00 0.00 C ATOM 49 CG LYS A 3 -10.547 -22.068 10.575 1.00 0.00 C ATOM 50 CD LYS A 3 -10.895 -23.464 10.086 1.00 0.00 C ATOM 51 CE LYS A 3 -9.671 -24.364 10.048 1.00 0.00 C ATOM 52 NZ LYS A 3 -9.650 -25.324 11.187 1.00 0.00 N ATOM 0 H LYS A 3 -9.336 -18.845 10.874 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.754 -20.015 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.235 -20.752 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.903 -21.437 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.502 -21.853 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.656 -22.024 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.649 -23.902 10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.333 -23.403 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.656 -24.916 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.770 -23.752 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.799 -25.919 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.639 -24.798 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.497 -25.926 11.149 1.00 0.00 H new ATOM 66 N THR A 4 -10.861 -18.217 7.658 1.00 0.00 N ATOM 67 CA THR A 4 -11.552 -17.385 6.678 1.00 0.00 C ATOM 68 C THR A 4 -11.073 -17.698 5.265 1.00 0.00 C ATOM 69 O THR A 4 -9.952 -18.170 5.071 1.00 0.00 O ATOM 70 CB THR A 4 -11.330 -15.905 6.989 1.00 0.00 C ATOM 71 OG1 THR A 4 -11.656 -15.618 8.336 1.00 0.00 O ATOM 72 CG2 THR A 4 -12.146 -14.981 6.111 1.00 0.00 C ATOM 0 H THR A 4 -9.845 -18.212 7.574 1.00 0.00 H new ATOM 0 HA THR A 4 -12.618 -17.605 6.737 1.00 0.00 H new ATOM 0 HB THR A 4 -10.273 -15.726 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.505 -14.666 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.942 -13.946 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.878 -15.141 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.207 -15.190 6.250 1.00 0.00 H new ATOM 80 N SER A 5 -11.929 -17.435 4.284 1.00 0.00 N ATOM 81 CA SER A 5 -11.591 -17.688 2.888 1.00 0.00 C ATOM 82 C SER A 5 -11.992 -16.508 2.008 1.00 0.00 C ATOM 83 O SER A 5 -11.213 -16.051 1.171 1.00 0.00 O ATOM 84 CB SER A 5 -12.283 -18.961 2.399 1.00 0.00 C ATOM 85 OG SER A 5 -13.636 -19.004 2.822 1.00 0.00 O ATOM 0 H SER A 5 -12.861 -17.047 4.429 1.00 0.00 H new ATOM 0 HA SER A 5 -10.511 -17.819 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.238 -19.008 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.753 -19.835 2.778 1.00 0.00 H new ATOM 0 HG SER A 5 -14.055 -19.827 2.494 1.00 0.00 H new ATOM 91 N SER A 6 -13.213 -16.019 2.204 1.00 0.00 N ATOM 92 CA SER A 6 -13.718 -14.892 1.429 1.00 0.00 C ATOM 93 C SER A 6 -13.572 -13.588 2.207 1.00 0.00 C ATOM 94 O SER A 6 -14.313 -13.334 3.155 1.00 0.00 O ATOM 95 CB SER A 6 -15.185 -15.117 1.058 1.00 0.00 C ATOM 96 OG SER A 6 -15.457 -14.654 -0.254 1.00 0.00 O ATOM 0 H SER A 6 -13.870 -16.386 2.893 1.00 0.00 H new ATOM 0 HA SER A 6 -13.127 -14.817 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.422 -16.178 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.827 -14.599 1.770 1.00 0.00 H new ATOM 0 HG SER A 6 -16.401 -14.811 -0.467 1.00 0.00 H new ATOM 102 N SER A 7 -12.609 -12.766 1.799 1.00 0.00 N ATOM 103 CA SER A 7 -12.365 -11.489 2.457 1.00 0.00 C ATOM 104 C SER A 7 -11.500 -10.584 1.586 1.00 0.00 C ATOM 105 O SER A 7 -11.151 -10.940 0.458 1.00 0.00 O ATOM 106 CB SER A 7 -11.689 -11.710 3.811 1.00 0.00 C ATOM 107 OG SER A 7 -11.872 -10.591 4.663 1.00 0.00 O ATOM 0 H SER A 7 -11.986 -12.963 1.016 1.00 0.00 H new ATOM 0 HA SER A 7 -13.327 -11.001 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.099 -12.602 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.624 -11.889 3.664 1.00 0.00 H new ATOM 0 HG SER A 7 -11.432 -10.759 5.522 1.00 0.00 H new ATOM 113 N GLY A 8 -11.157 -9.413 2.112 1.00 0.00 N ATOM 114 CA GLY A 8 -10.336 -8.478 1.366 1.00 0.00 C ATOM 115 C GLY A 8 -9.871 -7.308 2.210 1.00 0.00 C ATOM 116 O GLY A 8 -10.376 -7.089 3.312 1.00 0.00 O ATOM 0 H GLY A 8 -11.433 -9.095 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.467 -9.001 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.902 -8.104 0.513 1.00 0.00 H new ATOM 120 N LEU A 9 -8.909 -6.551 1.692 1.00 0.00 N ATOM 121 CA LEU A 9 -8.380 -5.396 2.399 1.00 0.00 C ATOM 122 C LEU A 9 -8.049 -4.291 1.415 1.00 0.00 C ATOM 123 O LEU A 9 -7.551 -4.551 0.322 1.00 0.00 O ATOM 124 CB LEU A 9 -7.134 -5.781 3.199 1.00 0.00 C ATOM 125 CG LEU A 9 -7.376 -6.768 4.340 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.141 -7.626 4.575 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.764 -6.030 5.613 1.00 0.00 C ATOM 0 H LEU A 9 -8.480 -6.720 0.782 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.139 -5.036 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.401 -6.211 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.691 -4.874 3.611 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.201 -7.423 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.332 -8.323 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.908 -8.184 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.297 -6.986 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.932 -6.750 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.961 -5.350 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.677 -5.460 5.439 1.00 0.00 H new ATOM 139 N TYR A 10 -8.315 -3.055 1.807 1.00 0.00 N ATOM 140 CA TYR A 10 -8.030 -1.923 0.949 1.00 0.00 C ATOM 141 C TYR A 10 -6.754 -1.240 1.401 1.00 0.00 C ATOM 142 O TYR A 10 -6.725 -0.559 2.424 1.00 0.00 O ATOM 143 CB TYR A 10 -9.203 -0.944 0.955 1.00 0.00 C ATOM 144 CG TYR A 10 -10.532 -1.607 0.664 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.836 -2.058 -0.611 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.476 -1.784 1.663 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.044 -2.667 -0.886 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.690 -2.392 1.399 1.00 0.00 C ATOM 149 CZ TYR A 10 -12.968 -2.832 0.123 1.00 0.00 C ATOM 150 OH TYR A 10 -14.173 -3.438 -0.145 1.00 0.00 O ATOM 0 H TYR A 10 -8.726 -2.814 2.709 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.890 -2.277 -0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.254 -0.453 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.022 -0.165 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.114 -1.931 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.260 -1.442 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.264 -3.012 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.416 -2.521 2.188 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.709 -3.477 0.675 1.00 0.00 H new ATOM 160 N LYS A 11 -5.698 -1.426 0.623 1.00 0.00 N ATOM 161 CA LYS A 11 -4.405 -0.824 0.934 1.00 0.00 C ATOM 162 C LYS A 11 -3.896 -0.020 -0.254 1.00 0.00 C ATOM 163 O LYS A 11 -4.233 -0.314 -1.400 1.00 0.00 O ATOM 164 CB LYS A 11 -3.393 -1.906 1.307 1.00 0.00 C ATOM 165 CG LYS A 11 -3.922 -2.916 2.313 1.00 0.00 C ATOM 166 CD LYS A 11 -3.446 -4.325 1.995 1.00 0.00 C ATOM 167 CE LYS A 11 -3.043 -5.076 3.253 1.00 0.00 C ATOM 168 NZ LYS A 11 -1.800 -5.870 3.051 1.00 0.00 N ATOM 0 H LYS A 11 -5.708 -1.988 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.531 -0.153 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.087 -2.433 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.501 -1.432 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.595 -2.638 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.012 -2.891 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.239 -4.871 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.598 -4.278 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.892 -4.367 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.853 -5.740 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.865 -6.759 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.684 -6.082 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.981 -5.324 3.386 1.00 0.00 H new ATOM 182 N VAL A 12 -3.078 0.996 0.015 1.00 0.00 N ATOM 183 CA VAL A 12 -2.536 1.820 -1.059 1.00 0.00 C ATOM 184 C VAL A 12 -1.072 1.459 -1.313 1.00 0.00 C ATOM 185 O VAL A 12 -0.338 1.146 -0.382 1.00 0.00 O ATOM 186 CB VAL A 12 -2.660 3.339 -0.766 1.00 0.00 C ATOM 187 CG1 VAL A 12 -2.997 4.102 -2.031 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.718 3.635 0.289 1.00 0.00 C ATOM 0 H VAL A 12 -2.781 1.264 0.953 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.129 1.612 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.692 3.664 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.079 5.165 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.210 3.949 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.945 3.742 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.769 4.710 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.687 3.276 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.456 3.131 1.219 1.00 0.00 H new ATOM 198 N GLN A 13 -0.662 1.472 -2.576 1.00 0.00 N ATOM 199 CA GLN A 13 0.712 1.120 -2.934 1.00 0.00 C ATOM 200 C GLN A 13 1.290 2.097 -3.948 1.00 0.00 C ATOM 201 O GLN A 13 0.634 2.453 -4.926 1.00 0.00 O ATOM 202 CB GLN A 13 0.765 -0.303 -3.494 1.00 0.00 C ATOM 203 CG GLN A 13 2.160 -0.905 -3.498 1.00 0.00 C ATOM 204 CD GLN A 13 2.141 -2.421 -3.489 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.989 -3.058 -4.533 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.291 -3.009 -2.309 1.00 0.00 N ATOM 0 H GLN A 13 -1.256 1.721 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 13 1.316 1.175 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.105 -0.941 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.378 -0.298 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.699 -0.557 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.709 -0.547 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.414 -2.443 -1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.283 -4.027 -2.242 1.00 0.00 H new ATOM 215 N ILE A 14 2.520 2.539 -3.702 1.00 0.00 N ATOM 216 CA ILE A 14 3.174 3.489 -4.593 1.00 0.00 C ATOM 217 C ILE A 14 4.287 2.852 -5.424 1.00 0.00 C ATOM 218 O ILE A 14 4.846 3.503 -6.306 1.00 0.00 O ATOM 219 CB ILE A 14 3.748 4.690 -3.819 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.693 4.205 -2.710 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.619 5.545 -3.263 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.233 4.526 -1.303 1.00 0.00 C ATOM 0 H ILE A 14 3.080 2.256 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 14 2.395 3.834 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 14 4.329 5.311 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.814 3.126 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.675 4.651 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.038 6.391 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.002 5.912 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.007 4.946 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.961 4.146 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.140 5.606 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.266 4.057 -1.120 1.00 0.00 H new ATOM 234 N GLY A 15 4.607 1.578 -5.169 1.00 0.00 N ATOM 235 CA GLY A 15 5.647 0.936 -5.957 1.00 0.00 C ATOM 236 C GLY A 15 6.278 -0.277 -5.295 1.00 0.00 C ATOM 237 O GLY A 15 6.020 -0.574 -4.129 1.00 0.00 O ATOM 0 H GLY A 15 4.176 0.996 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.225 0.633 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.428 1.666 -6.169 1.00 0.00 H new ATOM 241 N ALA A 16 7.142 -0.950 -6.054 1.00 0.00 N ATOM 242 CA ALA A 16 7.878 -2.117 -5.580 1.00 0.00 C ATOM 243 C ALA A 16 9.204 -2.218 -6.331 1.00 0.00 C ATOM 244 O ALA A 16 9.284 -1.819 -7.494 1.00 0.00 O ATOM 245 CB ALA A 16 7.060 -3.392 -5.754 1.00 0.00 C ATOM 0 H ALA A 16 7.351 -0.698 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 16 8.076 -2.000 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.634 -4.245 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.134 -3.310 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.826 -3.533 -6.809 1.00 0.00 H new ATOM 251 N PHE A 17 10.246 -2.730 -5.684 1.00 0.00 N ATOM 252 CA PHE A 17 11.547 -2.844 -6.336 1.00 0.00 C ATOM 253 C PHE A 17 12.357 -3.995 -5.755 1.00 0.00 C ATOM 254 O PHE A 17 12.204 -4.351 -4.589 1.00 0.00 O ATOM 255 CB PHE A 17 12.334 -1.540 -6.187 1.00 0.00 C ATOM 256 CG PHE A 17 11.493 -0.303 -6.331 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.783 0.198 -5.252 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.416 0.358 -7.546 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.011 1.336 -5.383 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.644 1.495 -7.683 1.00 0.00 C ATOM 261 CZ PHE A 17 9.941 1.987 -6.601 1.00 0.00 C ATOM 0 H PHE A 17 10.218 -3.068 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 17 11.370 -3.043 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.817 -1.528 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.127 -1.518 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.834 -0.306 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.966 -0.020 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.462 1.717 -4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.590 1.999 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.339 2.877 -6.706 1.00 0.00 H new ATOM 271 N LYS A 18 13.231 -4.566 -6.578 1.00 0.00 N ATOM 272 CA LYS A 18 14.079 -5.672 -6.149 1.00 0.00 C ATOM 273 C LYS A 18 14.987 -5.260 -4.992 1.00 0.00 C ATOM 274 O LYS A 18 15.580 -6.113 -4.330 1.00 0.00 O ATOM 275 CB LYS A 18 14.925 -6.174 -7.321 1.00 0.00 C ATOM 276 CG LYS A 18 15.691 -5.070 -8.034 1.00 0.00 C ATOM 277 CD LYS A 18 16.853 -5.629 -8.839 1.00 0.00 C ATOM 278 CE LYS A 18 16.953 -4.973 -10.206 1.00 0.00 C ATOM 279 NZ LYS A 18 17.407 -3.559 -10.113 1.00 0.00 N ATOM 0 H LYS A 18 13.370 -4.280 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 18 13.430 -6.476 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.632 -6.918 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.276 -6.676 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.017 -4.527 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.065 -4.354 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.783 -5.475 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.729 -6.705 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.648 -5.537 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.981 -5.010 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.462 -3.149 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.731 -3.014 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.346 -3.524 -9.667 1.00 0.00 H new ATOM 293 N VAL A 19 15.100 -3.957 -4.752 1.00 0.00 N ATOM 294 CA VAL A 19 15.944 -3.454 -3.676 1.00 0.00 C ATOM 295 C VAL A 19 15.118 -2.939 -2.504 1.00 0.00 C ATOM 296 O VAL A 19 14.215 -2.120 -2.677 1.00 0.00 O ATOM 297 CB VAL A 19 16.864 -2.323 -4.172 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.878 -1.949 -3.102 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.561 -2.727 -5.462 1.00 0.00 C ATOM 0 H VAL A 19 14.619 -3.234 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 19 16.550 -4.295 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 19 16.250 -1.446 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.519 -1.148 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.355 -1.611 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.488 -2.819 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.206 -1.915 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.162 -3.619 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.815 -2.937 -6.228 1.00 0.00 H new ATOM 309 N LYS A 20 15.445 -3.421 -1.310 1.00 0.00 N ATOM 310 CA LYS A 20 14.753 -3.018 -0.097 1.00 0.00 C ATOM 311 C LYS A 20 15.123 -1.590 0.270 1.00 0.00 C ATOM 312 O LYS A 20 14.282 -0.828 0.738 1.00 0.00 O ATOM 313 CB LYS A 20 15.101 -3.963 1.055 1.00 0.00 C ATOM 314 CG LYS A 20 14.137 -3.878 2.225 1.00 0.00 C ATOM 315 CD LYS A 20 14.578 -2.830 3.236 1.00 0.00 C ATOM 316 CE LYS A 20 13.389 -2.226 3.967 1.00 0.00 C ATOM 317 NZ LYS A 20 13.248 -2.771 5.345 1.00 0.00 N ATOM 0 H LYS A 20 16.193 -4.098 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 20 13.679 -3.068 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.116 -4.987 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.107 -3.737 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.140 -3.635 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.069 -4.850 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.258 -3.282 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.132 -2.042 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.505 -1.143 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.477 -2.425 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.426 -2.334 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.112 -3.801 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.107 -2.559 5.892 1.00 0.00 H new ATOM 331 N ALA A 21 16.383 -1.224 0.043 1.00 0.00 N ATOM 332 CA ALA A 21 16.840 0.127 0.336 1.00 0.00 C ATOM 333 C ALA A 21 16.023 1.131 -0.462 1.00 0.00 C ATOM 334 O ALA A 21 15.751 2.241 -0.003 1.00 0.00 O ATOM 335 CB ALA A 21 18.323 0.270 0.023 1.00 0.00 C ATOM 0 H ALA A 21 17.099 -1.841 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 21 16.700 0.325 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.646 1.286 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.892 -0.435 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.494 0.061 -1.033 1.00 0.00 H new ATOM 341 N ASN A 22 15.609 0.713 -1.654 1.00 0.00 N ATOM 342 CA ASN A 22 14.791 1.552 -2.511 1.00 0.00 C ATOM 343 C ASN A 22 13.361 1.546 -1.995 1.00 0.00 C ATOM 344 O ASN A 22 12.656 2.552 -2.065 1.00 0.00 O ATOM 345 CB ASN A 22 14.837 1.054 -3.955 1.00 0.00 C ATOM 346 CG ASN A 22 16.136 1.413 -4.650 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.817 0.550 -5.205 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.489 2.694 -4.622 1.00 0.00 N ATOM 0 H ASN A 22 15.829 -0.203 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 22 15.180 2.570 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.709 -0.028 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.001 1.480 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.354 2.995 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.895 3.376 -4.151 1.00 0.00 H new ATOM 355 N ALA A 23 12.945 0.400 -1.453 1.00 0.00 N ATOM 356 CA ALA A 23 11.603 0.269 -0.901 1.00 0.00 C ATOM 357 C ALA A 23 11.484 1.037 0.416 1.00 0.00 C ATOM 358 O ALA A 23 10.384 1.361 0.862 1.00 0.00 O ATOM 359 CB ALA A 23 11.250 -1.196 -0.701 1.00 0.00 C ATOM 0 H ALA A 23 13.516 -0.443 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 23 10.896 0.699 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.244 -1.275 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.291 -1.714 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.962 -1.651 -0.012 1.00 0.00 H new ATOM 365 N ASP A 24 12.630 1.330 1.031 1.00 0.00 N ATOM 366 CA ASP A 24 12.662 2.061 2.291 1.00 0.00 C ATOM 367 C ASP A 24 12.587 3.562 2.035 1.00 0.00 C ATOM 368 O ASP A 24 11.923 4.296 2.768 1.00 0.00 O ATOM 369 CB ASP A 24 13.935 1.726 3.070 1.00 0.00 C ATOM 370 CG ASP A 24 13.673 1.538 4.552 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.610 0.982 4.901 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.529 1.947 5.364 1.00 0.00 O ATOM 0 H ASP A 24 13.549 1.070 0.673 1.00 0.00 H new ATOM 0 HA ASP A 24 11.798 1.762 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.378 0.817 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.664 2.525 2.931 1.00 0.00 H new ATOM 377 N SER A 25 13.258 4.009 0.977 1.00 0.00 N ATOM 378 CA SER A 25 13.245 5.420 0.614 1.00 0.00 C ATOM 379 C SER A 25 11.838 5.830 0.205 1.00 0.00 C ATOM 380 O SER A 25 11.380 6.932 0.506 1.00 0.00 O ATOM 381 CB SER A 25 14.226 5.688 -0.530 1.00 0.00 C ATOM 382 OG SER A 25 14.330 7.074 -0.800 1.00 0.00 O ATOM 0 H SER A 25 13.814 3.417 0.360 1.00 0.00 H new ATOM 0 HA SER A 25 13.554 6.009 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.207 5.290 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.895 5.164 -1.427 1.00 0.00 H new ATOM 0 HG SER A 25 14.964 7.218 -1.534 1.00 0.00 H new ATOM 388 N LEU A 26 11.152 4.916 -0.472 1.00 0.00 N ATOM 389 CA LEU A 26 9.787 5.146 -0.920 1.00 0.00 C ATOM 390 C LEU A 26 8.846 5.220 0.279 1.00 0.00 C ATOM 391 O LEU A 26 8.048 6.148 0.403 1.00 0.00 O ATOM 392 CB LEU A 26 9.362 4.024 -1.870 1.00 0.00 C ATOM 393 CG LEU A 26 7.996 4.200 -2.534 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.946 5.482 -3.352 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.680 2.997 -3.412 1.00 0.00 C ATOM 0 H LEU A 26 11.525 4.001 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 26 9.738 6.096 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.116 3.929 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.358 3.085 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 26 7.243 4.272 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.963 5.581 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.130 6.337 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.709 5.448 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.705 3.134 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.443 2.900 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.666 2.094 -2.801 1.00 0.00 H new ATOM 407 N ALA A 27 8.955 4.249 1.178 1.00 0.00 N ATOM 408 CA ALA A 27 8.125 4.231 2.376 1.00 0.00 C ATOM 409 C ALA A 27 8.317 5.518 3.175 1.00 0.00 C ATOM 410 O ALA A 27 7.430 5.948 3.912 1.00 0.00 O ATOM 411 CB ALA A 27 8.455 3.016 3.230 1.00 0.00 C ATOM 0 H ALA A 27 9.606 3.468 1.101 1.00 0.00 H new ATOM 0 HA ALA A 27 7.079 4.166 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.827 3.016 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.271 2.107 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.504 3.053 3.525 1.00 0.00 H new ATOM 417 N SER A 28 9.490 6.128 3.012 1.00 0.00 N ATOM 418 CA SER A 28 9.815 7.368 3.704 1.00 0.00 C ATOM 419 C SER A 28 9.071 8.550 3.090 1.00 0.00 C ATOM 420 O SER A 28 8.583 9.428 3.805 1.00 0.00 O ATOM 421 CB SER A 28 11.325 7.618 3.659 1.00 0.00 C ATOM 422 OG SER A 28 11.937 7.280 4.891 1.00 0.00 O ATOM 0 H SER A 28 10.231 5.780 2.404 1.00 0.00 H new ATOM 0 HA SER A 28 9.500 7.269 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.770 7.031 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.516 8.667 3.431 1.00 0.00 H new ATOM 0 HG SER A 28 12.901 7.448 4.834 1.00 0.00 H new ATOM 428 N ASN A 29 8.983 8.571 1.763 1.00 0.00 N ATOM 429 CA ASN A 29 8.296 9.651 1.065 1.00 0.00 C ATOM 430 C ASN A 29 6.841 9.734 1.505 1.00 0.00 C ATOM 431 O ASN A 29 6.341 10.808 1.838 1.00 0.00 O ATOM 432 CB ASN A 29 8.403 9.471 -0.456 1.00 0.00 C ATOM 433 CG ASN A 29 7.441 8.446 -1.034 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.856 7.378 -1.473 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.156 8.776 -1.066 1.00 0.00 N ATOM 0 H ASN A 29 9.377 7.855 1.152 1.00 0.00 H new ATOM 0 HA ASN A 29 8.782 10.591 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.223 10.432 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.422 9.176 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.474 8.132 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.851 9.674 -0.691 1.00 0.00 H new ATOM 442 N ALA A 30 6.171 8.592 1.511 1.00 0.00 N ATOM 443 CA ALA A 30 4.775 8.536 1.923 1.00 0.00 C ATOM 444 C ALA A 30 4.637 8.961 3.378 1.00 0.00 C ATOM 445 O ALA A 30 3.682 9.645 3.748 1.00 0.00 O ATOM 446 CB ALA A 30 4.216 7.138 1.721 1.00 0.00 C ATOM 0 H ALA A 30 6.569 7.694 1.236 1.00 0.00 H new ATOM 0 HA ALA A 30 4.202 9.227 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.172 7.115 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.285 6.867 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.789 6.427 2.316 1.00 0.00 H new ATOM 452 N GLU A 31 5.602 8.555 4.199 1.00 0.00 N ATOM 453 CA GLU A 31 5.592 8.900 5.616 1.00 0.00 C ATOM 454 C GLU A 31 5.491 10.412 5.795 1.00 0.00 C ATOM 455 O GLU A 31 4.828 10.900 6.710 1.00 0.00 O ATOM 456 CB GLU A 31 6.856 8.376 6.302 1.00 0.00 C ATOM 457 CG GLU A 31 6.752 8.327 7.817 1.00 0.00 C ATOM 458 CD GLU A 31 7.903 9.037 8.504 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.992 8.434 8.614 1.00 0.00 O ATOM 460 OE2 GLU A 31 7.714 10.194 8.934 1.00 0.00 O ATOM 0 H GLU A 31 6.398 7.988 3.908 1.00 0.00 H new ATOM 0 HA GLU A 31 4.722 8.432 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.073 7.375 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.699 9.009 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.812 8.782 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.725 7.287 8.142 1.00 0.00 H new ATOM 467 N ALA A 32 6.149 11.143 4.902 1.00 0.00 N ATOM 468 CA ALA A 32 6.141 12.601 4.934 1.00 0.00 C ATOM 469 C ALA A 32 4.713 13.126 4.976 1.00 0.00 C ATOM 470 O ALA A 32 4.360 13.929 5.838 1.00 0.00 O ATOM 471 CB ALA A 32 6.882 13.162 3.731 1.00 0.00 C ATOM 0 H ALA A 32 6.699 10.745 4.141 1.00 0.00 H new ATOM 0 HA ALA A 32 6.653 12.930 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.867 14.251 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.914 12.813 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.397 12.825 2.815 1.00 0.00 H new ATOM 477 N LYS A 33 3.888 12.648 4.048 1.00 0.00 N ATOM 478 CA LYS A 33 2.492 13.059 4.007 1.00 0.00 C ATOM 479 C LYS A 33 1.804 12.627 5.293 1.00 0.00 C ATOM 480 O LYS A 33 0.850 13.258 5.750 1.00 0.00 O ATOM 481 CB LYS A 33 1.782 12.439 2.806 1.00 0.00 C ATOM 482 CG LYS A 33 2.153 13.082 1.482 1.00 0.00 C ATOM 483 CD LYS A 33 1.721 14.538 1.428 1.00 0.00 C ATOM 484 CE LYS A 33 2.875 15.474 1.747 1.00 0.00 C ATOM 485 NZ LYS A 33 3.424 16.116 0.521 1.00 0.00 N ATOM 0 H LYS A 33 4.160 11.984 3.323 1.00 0.00 H new ATOM 0 HA LYS A 33 2.446 14.144 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.019 11.376 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.705 12.519 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.231 13.016 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.685 12.532 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.330 14.766 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.910 14.704 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.537 16.244 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.665 14.917 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.209 16.747 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.770 15.382 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.677 16.668 0.054 1.00 0.00 H new ATOM 499 N GLY A 34 2.318 11.551 5.879 1.00 0.00 N ATOM 500 CA GLY A 34 1.779 11.041 7.116 1.00 0.00 C ATOM 501 C GLY A 34 1.024 9.743 6.927 1.00 0.00 C ATOM 502 O GLY A 34 0.050 9.472 7.628 1.00 0.00 O ATOM 0 H GLY A 34 3.108 11.021 5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.591 10.885 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.113 11.785 7.553 1.00 0.00 H new ATOM 506 N PHE A 35 1.486 8.931 5.985 1.00 0.00 N ATOM 507 CA PHE A 35 0.862 7.651 5.713 1.00 0.00 C ATOM 508 C PHE A 35 1.653 6.521 6.353 1.00 0.00 C ATOM 509 O PHE A 35 2.842 6.663 6.635 1.00 0.00 O ATOM 510 CB PHE A 35 0.753 7.434 4.206 1.00 0.00 C ATOM 511 CG PHE A 35 0.209 8.623 3.471 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.721 9.463 4.065 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.635 8.904 2.187 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.217 10.560 3.387 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.144 10.002 1.504 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.783 10.829 2.103 1.00 0.00 C ATOM 0 H PHE A 35 2.293 9.140 5.397 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.139 7.654 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.739 7.191 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.111 6.574 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.061 9.257 5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.359 8.259 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.942 11.206 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.487 10.212 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.169 11.685 1.570 1.00 0.00 H new ATOM 526 N ASP A 36 0.989 5.396 6.574 1.00 0.00 N ATOM 527 CA ASP A 36 1.634 4.237 7.174 1.00 0.00 C ATOM 528 C ASP A 36 2.307 3.397 6.099 1.00 0.00 C ATOM 529 O ASP A 36 1.661 2.578 5.446 1.00 0.00 O ATOM 530 CB ASP A 36 0.612 3.393 7.936 1.00 0.00 C ATOM 531 CG ASP A 36 1.262 2.279 8.735 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.125 2.585 9.586 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.909 1.103 8.510 1.00 0.00 O ATOM 0 H ASP A 36 0.004 5.261 6.347 1.00 0.00 H new ATOM 0 HA ASP A 36 2.391 4.586 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.044 4.035 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.099 2.963 7.230 1.00 0.00 H new ATOM 538 N SER A 37 3.604 3.613 5.899 1.00 0.00 N ATOM 539 CA SER A 37 4.343 2.883 4.879 1.00 0.00 C ATOM 540 C SER A 37 4.731 1.499 5.374 1.00 0.00 C ATOM 541 O SER A 37 4.822 1.255 6.577 1.00 0.00 O ATOM 542 CB SER A 37 5.594 3.661 4.470 1.00 0.00 C ATOM 543 OG SER A 37 6.586 3.599 5.482 1.00 0.00 O ATOM 0 H SER A 37 4.161 4.284 6.428 1.00 0.00 H new ATOM 0 HA SER A 37 3.695 2.769 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.992 3.254 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.332 4.701 4.276 1.00 0.00 H new ATOM 0 HG SER A 37 7.191 4.365 5.394 1.00 0.00 H new ATOM 549 N ILE A 38 4.931 0.588 4.431 1.00 0.00 N ATOM 550 CA ILE A 38 5.279 -0.788 4.752 1.00 0.00 C ATOM 551 C ILE A 38 6.017 -1.446 3.588 1.00 0.00 C ATOM 552 O ILE A 38 5.671 -1.238 2.425 1.00 0.00 O ATOM 553 CB ILE A 38 4.003 -1.596 5.082 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.259 -3.104 4.987 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.872 -1.178 4.149 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.506 -3.912 6.022 1.00 0.00 C ATOM 0 H ILE A 38 4.857 0.780 3.432 1.00 0.00 H new ATOM 0 HA ILE A 38 5.936 -0.779 5.622 1.00 0.00 H new ATOM 0 HB ILE A 38 3.713 -1.379 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.977 -3.450 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.327 -3.291 5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.975 -1.750 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.669 -0.115 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.163 -1.370 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.735 -4.970 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.805 -3.593 7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.435 -3.755 5.897 1.00 0.00 H new ATOM 568 N VAL A 39 7.037 -2.237 3.906 1.00 0.00 N ATOM 569 CA VAL A 39 7.821 -2.915 2.881 1.00 0.00 C ATOM 570 C VAL A 39 7.711 -4.432 3.005 1.00 0.00 C ATOM 571 O VAL A 39 8.137 -5.010 4.006 1.00 0.00 O ATOM 572 CB VAL A 39 9.307 -2.517 2.954 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.065 -3.068 1.758 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.452 -1.006 3.038 1.00 0.00 C ATOM 0 H VAL A 39 7.339 -2.424 4.862 1.00 0.00 H new ATOM 0 HA VAL A 39 7.411 -2.603 1.921 1.00 0.00 H new ATOM 0 HB VAL A 39 9.737 -2.949 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.113 -2.777 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.990 -4.155 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.636 -2.667 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.509 -0.744 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.007 -0.548 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.944 -0.641 3.931 1.00 0.00 H new ATOM 584 N LEU A 40 7.144 -5.078 1.985 1.00 0.00 N ATOM 585 CA LEU A 40 6.991 -6.530 1.995 1.00 0.00 C ATOM 586 C LEU A 40 7.750 -7.151 0.827 1.00 0.00 C ATOM 587 O LEU A 40 7.615 -6.717 -0.317 1.00 0.00 O ATOM 588 CB LEU A 40 5.503 -6.911 1.943 1.00 0.00 C ATOM 589 CG LEU A 40 5.145 -8.107 1.047 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.959 -9.338 1.426 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.654 -8.403 1.130 1.00 0.00 C ATOM 0 H LEU A 40 6.786 -4.620 1.147 1.00 0.00 H new ATOM 0 HA LEU A 40 7.411 -6.920 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.169 -7.129 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.938 -6.044 1.601 1.00 0.00 H new ATOM 0 HG LEU A 40 5.391 -7.847 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.686 -10.169 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.021 -9.122 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.754 -9.605 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.416 -9.253 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.387 -8.638 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.091 -7.530 0.799 1.00 0.00 H new ATOM 603 N LEU A 41 8.557 -8.163 1.126 1.00 0.00 N ATOM 604 CA LEU A 41 9.346 -8.836 0.106 1.00 0.00 C ATOM 605 C LEU A 41 8.602 -10.025 -0.502 1.00 0.00 C ATOM 606 O LEU A 41 8.358 -11.030 0.167 1.00 0.00 O ATOM 607 CB LEU A 41 10.677 -9.315 0.698 1.00 0.00 C ATOM 608 CG LEU A 41 11.480 -10.267 -0.193 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.527 -9.743 -1.616 1.00 0.00 C ATOM 610 CD2 LEU A 41 12.885 -10.457 0.357 1.00 0.00 C ATOM 0 H LEU A 41 8.681 -8.534 2.068 1.00 0.00 H new ATOM 0 HA LEU A 41 9.532 -8.113 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.293 -8.443 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.476 -9.813 1.647 1.00 0.00 H new ATOM 0 HG LEU A 41 10.984 -11.238 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.101 -10.430 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.513 -9.661 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.001 -8.761 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.440 -11.137 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.395 -9.494 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.829 -10.877 1.361 1.00 0.00 H new ATOM 622 N LYS A 42 8.292 -9.920 -1.790 1.00 0.00 N ATOM 623 CA LYS A 42 7.633 -10.997 -2.519 1.00 0.00 C ATOM 624 C LYS A 42 8.654 -11.651 -3.430 1.00 0.00 C ATOM 625 O LYS A 42 9.596 -10.990 -3.851 1.00 0.00 O ATOM 626 CB LYS A 42 6.456 -10.478 -3.344 1.00 0.00 C ATOM 627 CG LYS A 42 6.887 -9.709 -4.580 1.00 0.00 C ATOM 628 CD LYS A 42 7.159 -10.634 -5.761 1.00 0.00 C ATOM 629 CE LYS A 42 8.371 -10.183 -6.543 1.00 0.00 C ATOM 630 NZ LYS A 42 8.632 -11.052 -7.726 1.00 0.00 N ATOM 0 H LYS A 42 8.489 -9.093 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 42 7.237 -11.719 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.833 -11.320 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.839 -9.833 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.111 -8.993 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.786 -9.134 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.313 -11.651 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.288 -10.657 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.226 -9.155 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.244 -10.187 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.612 -11.399 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.977 -11.860 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.489 -10.503 -8.598 1.00 0.00 H new ATOM 644 N ASP A 43 8.470 -12.934 -3.734 1.00 0.00 N ATOM 645 CA ASP A 43 9.398 -13.664 -4.602 1.00 0.00 C ATOM 646 C ASP A 43 10.829 -13.121 -4.465 1.00 0.00 C ATOM 647 O ASP A 43 11.639 -13.669 -3.718 1.00 0.00 O ATOM 648 CB ASP A 43 8.936 -13.603 -6.063 1.00 0.00 C ATOM 649 CG ASP A 43 9.053 -14.945 -6.757 1.00 0.00 C ATOM 650 OD1 ASP A 43 10.190 -15.437 -6.911 1.00 0.00 O ATOM 651 OD2 ASP A 43 8.006 -15.503 -7.148 1.00 0.00 O ATOM 0 H ASP A 43 7.687 -13.492 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 43 9.402 -14.707 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.900 -13.265 -6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.532 -12.865 -6.600 1.00 0.00 H new ATOM 656 N GLY A 44 11.121 -12.029 -5.175 1.00 0.00 N ATOM 657 CA GLY A 44 12.433 -11.415 -5.107 1.00 0.00 C ATOM 658 C GLY A 44 12.359 -9.899 -5.238 1.00 0.00 C ATOM 659 O GLY A 44 13.323 -9.260 -5.663 1.00 0.00 O ATOM 0 H GLY A 44 10.465 -11.559 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.907 -11.675 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.064 -11.817 -5.900 1.00 0.00 H new ATOM 663 N LEU A 45 11.211 -9.326 -4.871 1.00 0.00 N ATOM 664 CA LEU A 45 11.008 -7.878 -4.943 1.00 0.00 C ATOM 665 C LEU A 45 10.414 -7.340 -3.647 1.00 0.00 C ATOM 666 O LEU A 45 9.840 -8.083 -2.860 1.00 0.00 O ATOM 667 CB LEU A 45 10.072 -7.509 -6.103 1.00 0.00 C ATOM 668 CG LEU A 45 10.364 -8.190 -7.439 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.484 -7.604 -8.532 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.835 -8.045 -7.803 1.00 0.00 C ATOM 0 H LEU A 45 10.406 -9.844 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 45 11.987 -7.428 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.050 -7.750 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.116 -6.430 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 45 10.139 -9.252 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.702 -8.098 -9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.436 -7.757 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.683 -6.536 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.024 -8.536 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.088 -6.988 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.448 -8.507 -7.030 1.00 0.00 H new ATOM 682 N TYR A 46 10.537 -6.033 -3.447 1.00 0.00 N ATOM 683 CA TYR A 46 9.995 -5.382 -2.262 1.00 0.00 C ATOM 684 C TYR A 46 8.895 -4.405 -2.654 1.00 0.00 C ATOM 685 O TYR A 46 9.038 -3.650 -3.613 1.00 0.00 O ATOM 686 CB TYR A 46 11.102 -4.648 -1.501 1.00 0.00 C ATOM 687 CG TYR A 46 12.074 -5.570 -0.802 1.00 0.00 C ATOM 688 CD1 TYR A 46 12.966 -6.346 -1.528 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.099 -5.666 0.584 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.857 -7.191 -0.895 1.00 0.00 C ATOM 691 CE2 TYR A 46 12.987 -6.510 1.225 1.00 0.00 C ATOM 692 CZ TYR A 46 13.864 -7.271 0.482 1.00 0.00 C ATOM 693 OH TYR A 46 14.750 -8.110 1.119 1.00 0.00 O ATOM 0 H TYR A 46 11.010 -5.402 -4.094 1.00 0.00 H new ATOM 0 HA TYR A 46 9.572 -6.147 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.652 -4.016 -2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.647 -3.988 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 46 12.964 -6.288 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.414 -5.072 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.545 -7.787 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.994 -6.573 2.303 1.00 0.00 H new ATOM 0 HH TYR A 46 14.623 -8.045 2.089 1.00 0.00 H new ATOM 703 N LYS A 47 7.795 -4.425 -1.908 1.00 0.00 N ATOM 704 CA LYS A 47 6.670 -3.538 -2.184 1.00 0.00 C ATOM 705 C LYS A 47 6.555 -2.460 -1.130 1.00 0.00 C ATOM 706 O LYS A 47 6.883 -2.675 0.031 1.00 0.00 O ATOM 707 CB LYS A 47 5.361 -4.323 -2.247 1.00 0.00 C ATOM 708 CG LYS A 47 5.134 -5.017 -3.573 1.00 0.00 C ATOM 709 CD LYS A 47 6.112 -6.159 -3.767 1.00 0.00 C ATOM 710 CE LYS A 47 5.871 -7.274 -2.769 1.00 0.00 C ATOM 711 NZ LYS A 47 4.541 -7.916 -2.962 1.00 0.00 N ATOM 0 H LYS A 47 7.659 -5.044 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 47 6.855 -3.070 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.355 -5.068 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.530 -3.644 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.113 -5.397 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.243 -4.299 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.019 -6.550 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.131 -5.788 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.654 -8.025 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.938 -6.876 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.457 -8.737 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.790 -7.231 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.447 -8.229 -3.949 1.00 0.00 H new ATOM 725 N VAL A 48 6.076 -1.303 -1.550 1.00 0.00 N ATOM 726 CA VAL A 48 5.902 -0.181 -0.650 1.00 0.00 C ATOM 727 C VAL A 48 4.440 0.247 -0.601 1.00 0.00 C ATOM 728 O VAL A 48 3.956 0.959 -1.481 1.00 0.00 O ATOM 729 CB VAL A 48 6.783 1.002 -1.075 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.610 2.172 -0.119 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.240 0.570 -1.145 1.00 0.00 C ATOM 0 H VAL A 48 5.800 -1.117 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 48 6.207 -0.500 0.347 1.00 0.00 H new ATOM 0 HB VAL A 48 6.472 1.331 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.243 3.000 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.568 2.491 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.895 1.865 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.856 1.417 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.563 0.218 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.346 -0.234 -1.873 1.00 0.00 H new ATOM 741 N GLN A 49 3.741 -0.202 0.436 1.00 0.00 N ATOM 742 CA GLN A 49 2.332 0.118 0.611 1.00 0.00 C ATOM 743 C GLN A 49 2.153 1.207 1.665 1.00 0.00 C ATOM 744 O GLN A 49 2.839 1.217 2.687 1.00 0.00 O ATOM 745 CB GLN A 49 1.557 -1.143 1.009 1.00 0.00 C ATOM 746 CG GLN A 49 0.113 -0.888 1.423 1.00 0.00 C ATOM 747 CD GLN A 49 -0.253 -1.589 2.717 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.501 -0.944 3.736 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.289 -2.916 2.682 1.00 0.00 N ATOM 0 H GLN A 49 4.131 -0.792 1.171 1.00 0.00 H new ATOM 0 HA GLN A 49 1.939 0.493 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.565 -1.839 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.078 -1.630 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.045 0.184 1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.554 -1.225 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.076 -3.409 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.530 -3.442 3.522 1.00 0.00 H new ATOM 758 N ILE A 50 1.222 2.118 1.410 1.00 0.00 N ATOM 759 CA ILE A 50 0.945 3.203 2.334 1.00 0.00 C ATOM 760 C ILE A 50 -0.554 3.379 2.549 1.00 0.00 C ATOM 761 O ILE A 50 -1.317 3.588 1.612 1.00 0.00 O ATOM 762 CB ILE A 50 1.588 4.516 1.859 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.255 4.804 0.392 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.093 4.427 2.059 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.208 5.876 0.207 1.00 0.00 C ATOM 0 H ILE A 50 0.646 2.124 0.568 1.00 0.00 H new ATOM 0 HA ILE A 50 1.391 2.938 3.293 1.00 0.00 H new ATOM 0 HB ILE A 50 1.185 5.340 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.166 5.105 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.909 3.885 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.560 5.354 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.311 4.271 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.488 3.592 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.024 6.025 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.717 5.569 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.560 6.808 0.649 1.00 0.00 H new ATOM 777 N GLY A 51 -0.950 3.292 3.811 1.00 0.00 N ATOM 778 CA GLY A 51 -2.345 3.439 4.183 1.00 0.00 C ATOM 779 C GLY A 51 -3.161 2.190 3.911 1.00 0.00 C ATOM 780 O GLY A 51 -3.520 1.911 2.768 1.00 0.00 O ATOM 0 H GLY A 51 -0.321 3.120 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.410 3.686 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.776 4.276 3.634 1.00 0.00 H new ATOM 784 N ALA A 52 -3.463 1.443 4.968 1.00 0.00 N ATOM 785 CA ALA A 52 -4.251 0.221 4.845 1.00 0.00 C ATOM 786 C ALA A 52 -5.459 0.274 5.774 1.00 0.00 C ATOM 787 O ALA A 52 -5.315 0.483 6.979 1.00 0.00 O ATOM 788 CB ALA A 52 -3.393 -0.995 5.152 1.00 0.00 C ATOM 0 H ALA A 52 -3.174 1.663 5.921 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.609 0.139 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.995 -1.899 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.559 -1.038 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.009 -0.922 6.169 1.00 0.00 H new ATOM 794 N PHE A 53 -6.650 0.100 5.211 1.00 0.00 N ATOM 795 CA PHE A 53 -7.873 0.145 6.003 1.00 0.00 C ATOM 796 C PHE A 53 -8.882 -0.900 5.538 1.00 0.00 C ATOM 797 O PHE A 53 -8.672 -1.586 4.534 1.00 0.00 O ATOM 798 CB PHE A 53 -8.505 1.539 5.923 1.00 0.00 C ATOM 799 CG PHE A 53 -7.501 2.658 5.844 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.758 2.856 4.692 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.306 3.508 6.920 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.834 3.882 4.617 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.384 4.535 6.851 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.648 4.724 5.697 1.00 0.00 C ATOM 0 H PHE A 53 -6.794 -0.072 4.216 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.604 -0.077 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.154 1.584 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.137 1.692 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.902 2.203 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.881 3.367 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.258 4.025 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.239 5.189 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.929 5.528 5.639 1.00 0.00 H new ATOM 814 N SER A 54 -9.982 -1.010 6.278 1.00 0.00 N ATOM 815 CA SER A 54 -11.036 -1.961 5.952 1.00 0.00 C ATOM 816 C SER A 54 -11.979 -1.391 4.895 1.00 0.00 C ATOM 817 O SER A 54 -12.730 -2.132 4.261 1.00 0.00 O ATOM 818 CB SER A 54 -11.821 -2.335 7.211 1.00 0.00 C ATOM 819 OG SER A 54 -11.796 -3.733 7.433 1.00 0.00 O ATOM 0 H SER A 54 -10.165 -0.449 7.110 1.00 0.00 H new ATOM 0 HA SER A 54 -10.569 -2.858 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.398 -1.820 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.853 -1.998 7.113 1.00 0.00 H new ATOM 0 HG SER A 54 -12.303 -3.945 8.244 1.00 0.00 H new ATOM 825 N SER A 55 -11.938 -0.073 4.708 1.00 0.00 N ATOM 826 CA SER A 55 -12.790 0.589 3.726 1.00 0.00 C ATOM 827 C SER A 55 -11.961 1.163 2.578 1.00 0.00 C ATOM 828 O SER A 55 -10.987 1.883 2.800 1.00 0.00 O ATOM 829 CB SER A 55 -13.602 1.702 4.391 1.00 0.00 C ATOM 830 OG SER A 55 -14.683 2.106 3.568 1.00 0.00 O ATOM 0 H SER A 55 -11.323 0.556 5.224 1.00 0.00 H new ATOM 0 HA SER A 55 -13.473 -0.156 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.982 1.355 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.956 2.556 4.594 1.00 0.00 H new ATOM 0 HG SER A 55 -15.187 2.817 4.016 1.00 0.00 H new ATOM 836 N LYS A 56 -12.357 0.834 1.351 1.00 0.00 N ATOM 837 CA LYS A 56 -11.654 1.311 0.165 1.00 0.00 C ATOM 838 C LYS A 56 -11.584 2.834 0.140 1.00 0.00 C ATOM 839 O LYS A 56 -10.599 3.410 -0.321 1.00 0.00 O ATOM 840 CB LYS A 56 -12.339 0.800 -1.102 1.00 0.00 C ATOM 841 CG LYS A 56 -11.407 0.732 -2.299 1.00 0.00 C ATOM 842 CD LYS A 56 -11.636 1.894 -3.251 1.00 0.00 C ATOM 843 CE LYS A 56 -10.996 1.638 -4.606 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.732 2.324 -5.705 1.00 0.00 N ATOM 0 H LYS A 56 -13.161 0.239 1.153 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.636 0.923 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.748 -0.192 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.180 1.451 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.372 0.740 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.561 -0.209 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.706 2.056 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.224 2.806 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.962 1.983 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.971 0.566 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.246 2.153 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.702 1.952 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.763 3.346 -5.517 1.00 0.00 H new ATOM 858 N ASP A 57 -12.632 3.482 0.639 1.00 0.00 N ATOM 859 CA ASP A 57 -12.684 4.942 0.670 1.00 0.00 C ATOM 860 C ASP A 57 -11.424 5.517 1.311 1.00 0.00 C ATOM 861 O ASP A 57 -10.966 6.598 0.942 1.00 0.00 O ATOM 862 CB ASP A 57 -13.921 5.411 1.438 1.00 0.00 C ATOM 863 CG ASP A 57 -14.470 6.718 0.902 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.722 7.717 0.889 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.652 6.743 0.492 1.00 0.00 O ATOM 0 H ASP A 57 -13.455 3.022 1.027 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.744 5.302 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.694 4.644 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.668 5.531 2.491 1.00 0.00 H new ATOM 870 N ASN A 58 -10.871 4.785 2.272 1.00 0.00 N ATOM 871 CA ASN A 58 -9.661 5.221 2.963 1.00 0.00 C ATOM 872 C ASN A 58 -8.455 5.142 2.036 1.00 0.00 C ATOM 873 O ASN A 58 -7.690 6.097 1.909 1.00 0.00 O ATOM 874 CB ASN A 58 -9.424 4.368 4.210 1.00 0.00 C ATOM 875 CG ASN A 58 -10.508 4.555 5.253 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.798 5.676 5.669 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.113 3.453 5.681 1.00 0.00 N ATOM 0 H ASN A 58 -11.240 3.889 2.590 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.796 6.259 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.376 3.317 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.458 4.625 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.851 3.516 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.840 2.544 5.308 1.00 0.00 H new ATOM 884 N ALA A 59 -8.296 3.995 1.382 1.00 0.00 N ATOM 885 CA ALA A 59 -7.190 3.786 0.457 1.00 0.00 C ATOM 886 C ALA A 59 -7.223 4.810 -0.670 1.00 0.00 C ATOM 887 O ALA A 59 -6.187 5.332 -1.070 1.00 0.00 O ATOM 888 CB ALA A 59 -7.239 2.374 -0.103 1.00 0.00 C ATOM 0 H ALA A 59 -8.922 3.195 1.477 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.255 3.916 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.408 2.227 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.163 1.656 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.181 2.225 -0.631 1.00 0.00 H new ATOM 894 N ASP A 60 -8.415 5.089 -1.185 1.00 0.00 N ATOM 895 CA ASP A 60 -8.568 6.052 -2.270 1.00 0.00 C ATOM 896 C ASP A 60 -8.064 7.428 -1.848 1.00 0.00 C ATOM 897 O ASP A 60 -7.262 8.048 -2.548 1.00 0.00 O ATOM 898 CB ASP A 60 -10.035 6.143 -2.697 1.00 0.00 C ATOM 899 CG ASP A 60 -10.404 5.092 -3.726 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.667 4.090 -3.840 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.427 5.275 -4.418 1.00 0.00 O ATOM 0 H ASP A 60 -9.287 4.664 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.972 5.708 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.673 6.029 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.230 7.134 -3.107 1.00 0.00 H new ATOM 906 N THR A 61 -8.540 7.903 -0.700 1.00 0.00 N ATOM 907 CA THR A 61 -8.137 9.207 -0.185 1.00 0.00 C ATOM 908 C THR A 61 -6.626 9.271 0.016 1.00 0.00 C ATOM 909 O THR A 61 -6.003 10.305 -0.210 1.00 0.00 O ATOM 910 CB THR A 61 -8.852 9.500 1.135 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.182 9.012 1.103 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.913 10.975 1.469 1.00 0.00 C ATOM 0 H THR A 61 -9.205 7.404 -0.109 1.00 0.00 H new ATOM 0 HA THR A 61 -8.419 9.962 -0.919 1.00 0.00 H new ATOM 0 HB THR A 61 -8.263 8.995 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.197 8.083 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.433 11.112 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.901 11.372 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.449 11.505 0.681 1.00 0.00 H new ATOM 920 N LEU A 62 -6.044 8.150 0.431 1.00 0.00 N ATOM 921 CA LEU A 62 -4.606 8.061 0.657 1.00 0.00 C ATOM 922 C LEU A 62 -3.871 8.114 -0.654 1.00 0.00 C ATOM 923 O LEU A 62 -2.923 8.878 -0.835 1.00 0.00 O ATOM 924 CB LEU A 62 -4.259 6.725 1.300 1.00 0.00 C ATOM 925 CG LEU A 62 -3.048 6.748 2.225 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.882 7.448 1.552 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.394 7.429 3.542 1.00 0.00 C ATOM 0 H LEU A 62 -6.551 7.285 0.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.319 8.893 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.123 6.377 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.080 5.995 0.511 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.756 5.720 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.025 7.456 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.619 6.918 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.163 8.473 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.517 7.436 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.711 8.454 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.202 6.885 4.031 1.00 0.00 H new ATOM 939 N ALA A 63 -4.305 7.252 -1.556 1.00 0.00 N ATOM 940 CA ALA A 63 -3.686 7.141 -2.847 1.00 0.00 C ATOM 941 C ALA A 63 -3.621 8.499 -3.539 1.00 0.00 C ATOM 942 O ALA A 63 -2.543 8.984 -3.879 1.00 0.00 O ATOM 943 CB ALA A 63 -4.422 6.128 -3.711 1.00 0.00 C ATOM 0 H ALA A 63 -5.090 6.618 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.665 6.788 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.937 6.059 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.401 5.152 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.456 6.446 -3.843 1.00 0.00 H new ATOM 949 N ALA A 64 -4.789 9.110 -3.732 1.00 0.00 N ATOM 950 CA ALA A 64 -4.872 10.419 -4.369 1.00 0.00 C ATOM 951 C ALA A 64 -3.966 11.416 -3.661 1.00 0.00 C ATOM 952 O ALA A 64 -3.337 12.262 -4.297 1.00 0.00 O ATOM 953 CB ALA A 64 -6.310 10.916 -4.374 1.00 0.00 C ATOM 0 H ALA A 64 -5.689 8.718 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.536 10.322 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.355 11.894 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.936 10.213 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.671 10.997 -3.349 1.00 0.00 H new ATOM 959 N ARG A 65 -3.886 11.292 -2.340 1.00 0.00 N ATOM 960 CA ARG A 65 -3.038 12.166 -1.544 1.00 0.00 C ATOM 961 C ARG A 65 -1.580 11.946 -1.924 1.00 0.00 C ATOM 962 O ARG A 65 -0.798 12.892 -2.016 1.00 0.00 O ATOM 963 CB ARG A 65 -3.245 11.883 -0.056 1.00 0.00 C ATOM 964 CG ARG A 65 -3.052 13.100 0.831 1.00 0.00 C ATOM 965 CD ARG A 65 -3.575 12.845 2.236 1.00 0.00 C ATOM 966 NE ARG A 65 -4.444 13.926 2.699 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.337 13.794 3.677 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.481 12.630 4.302 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.088 14.826 4.032 1.00 0.00 N ATOM 0 H ARG A 65 -4.399 10.595 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.305 13.204 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.251 11.492 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.550 11.103 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.994 13.357 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.570 13.955 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.125 11.904 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.735 12.736 2.922 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.361 14.836 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.906 11.832 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.167 12.535 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.982 15.722 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.772 14.725 4.782 1.00 0.00 H new ATOM 983 N ALA A 66 -1.231 10.686 -2.166 1.00 0.00 N ATOM 984 CA ALA A 66 0.123 10.336 -2.560 1.00 0.00 C ATOM 985 C ALA A 66 0.428 10.943 -3.918 1.00 0.00 C ATOM 986 O ALA A 66 1.515 11.470 -4.142 1.00 0.00 O ATOM 987 CB ALA A 66 0.306 8.827 -2.578 1.00 0.00 C ATOM 0 H ALA A 66 -1.869 9.893 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 66 0.825 10.740 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.327 8.588 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.115 8.425 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.392 8.384 -3.288 1.00 0.00 H new ATOM 993 N LYS A 67 -0.554 10.890 -4.812 1.00 0.00 N ATOM 994 CA LYS A 67 -0.395 11.461 -6.140 1.00 0.00 C ATOM 995 C LYS A 67 -0.160 12.959 -6.027 1.00 0.00 C ATOM 996 O LYS A 67 0.761 13.506 -6.634 1.00 0.00 O ATOM 997 CB LYS A 67 -1.631 11.180 -6.997 1.00 0.00 C ATOM 998 CG LYS A 67 -1.759 9.726 -7.421 1.00 0.00 C ATOM 999 CD LYS A 67 -3.132 9.435 -8.004 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.208 8.030 -8.577 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.569 7.942 -9.920 1.00 0.00 N ATOM 0 H LYS A 67 -1.463 10.460 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 67 0.466 10.999 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.522 11.467 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.596 11.808 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.992 9.492 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.582 9.078 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.890 9.555 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.358 10.160 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.719 7.333 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.252 7.724 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.642 6.968 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.052 8.588 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.567 8.209 -9.846 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.986 13.612 -5.219 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.861 15.043 -4.988 1.00 0.00 C ATOM 1017 C ASN A 68 0.413 15.326 -4.199 1.00 0.00 C ATOM 1018 O ASN A 68 0.984 16.414 -4.277 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.078 15.564 -4.225 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.299 17.049 -4.430 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.386 17.855 -4.246 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -3.515 17.419 -4.812 1.00 0.00 N ATOM 0 H ASN A 68 -1.752 13.170 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.808 15.555 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.966 15.020 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.950 15.362 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.723 18.406 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.241 16.717 -4.953 1.00 0.00 H new ATOM 1029 N ALA A 69 0.849 14.326 -3.436 1.00 0.00 N ATOM 1030 CA ALA A 69 2.051 14.435 -2.620 1.00 0.00 C ATOM 1031 C ALA A 69 3.313 14.299 -3.467 1.00 0.00 C ATOM 1032 O ALA A 69 4.390 14.738 -3.063 1.00 0.00 O ATOM 1033 CB ALA A 69 2.035 13.367 -1.539 1.00 0.00 C ATOM 0 H ALA A 69 0.380 13.423 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 69 2.061 15.423 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.935 13.452 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.157 13.501 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.001 12.381 -2.002 1.00 0.00 H new ATOM 1039 N GLY A 70 3.176 13.679 -4.634 1.00 0.00 N ATOM 1040 CA GLY A 70 4.315 13.482 -5.508 1.00 0.00 C ATOM 1041 C GLY A 70 4.699 12.021 -5.594 1.00 0.00 C ATOM 1042 O GLY A 70 5.843 11.685 -5.898 1.00 0.00 O ATOM 0 H GLY A 70 2.294 13.309 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.080 13.857 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.162 14.061 -5.140 1.00 0.00 H new ATOM 1046 N PHE A 71 3.732 11.152 -5.310 1.00 0.00 N ATOM 1047 CA PHE A 71 3.952 9.717 -5.336 1.00 0.00 C ATOM 1048 C PHE A 71 2.850 9.044 -6.145 1.00 0.00 C ATOM 1049 O PHE A 71 1.717 9.515 -6.168 1.00 0.00 O ATOM 1050 CB PHE A 71 3.946 9.169 -3.908 1.00 0.00 C ATOM 1051 CG PHE A 71 4.440 10.152 -2.879 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.655 10.798 -3.046 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.682 10.438 -1.754 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.105 11.708 -2.109 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.127 11.350 -0.814 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.340 11.986 -0.992 1.00 0.00 C ATOM 0 H PHE A 71 2.782 11.425 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 71 4.917 9.510 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.932 8.865 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.567 8.274 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.256 10.588 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.733 9.943 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.055 12.202 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.527 11.564 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.690 12.699 -0.260 1.00 0.00 H new ATOM 1066 N ASP A 72 3.173 7.942 -6.804 1.00 0.00 N ATOM 1067 CA ASP A 72 2.183 7.229 -7.602 1.00 0.00 C ATOM 1068 C ASP A 72 1.501 6.144 -6.776 1.00 0.00 C ATOM 1069 O ASP A 72 1.777 4.959 -6.951 1.00 0.00 O ATOM 1070 CB ASP A 72 2.842 6.611 -8.836 1.00 0.00 C ATOM 1071 CG ASP A 72 1.829 6.031 -9.804 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.888 5.350 -9.342 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.975 6.257 -11.024 1.00 0.00 O ATOM 0 H ASP A 72 4.103 7.524 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 72 1.426 7.944 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.435 7.370 -9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.531 5.827 -8.522 1.00 0.00 H new ATOM 1078 N ALA A 73 0.606 6.551 -5.875 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.108 5.598 -5.032 1.00 0.00 C ATOM 1080 C ALA A 73 -1.359 5.058 -5.714 1.00 0.00 C ATOM 1081 O ALA A 73 -2.070 5.786 -6.405 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.486 6.241 -3.707 1.00 0.00 C ATOM 0 H ALA A 73 0.361 7.528 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 73 0.566 4.760 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.018 5.517 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.417 6.565 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.128 7.102 -3.891 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.623 3.776 -5.496 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.791 3.118 -6.063 1.00 0.00 C ATOM 1090 C ILE A 74 -3.469 2.254 -5.006 1.00 0.00 C ATOM 1091 O ILE A 74 -2.820 1.784 -4.076 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.416 2.237 -7.272 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.326 1.237 -6.886 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.961 3.104 -8.437 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.310 -0.004 -7.752 1.00 0.00 C ATOM 0 H ILE A 74 -1.037 3.167 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.473 3.897 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.299 1.678 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.355 1.728 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.466 0.943 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.700 2.469 -9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.767 3.778 -8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.090 3.687 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.512 -0.668 -7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.268 -0.518 -7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.139 0.279 -8.791 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.769 2.041 -5.150 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.507 1.225 -4.192 1.00 0.00 C ATOM 1109 C VAL A 75 -5.783 -0.162 -4.758 1.00 0.00 C ATOM 1110 O VAL A 75 -6.170 -0.306 -5.917 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.837 1.890 -3.783 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.633 0.981 -2.853 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.570 3.234 -3.121 1.00 0.00 C ATOM 0 H VAL A 75 -5.332 2.417 -5.913 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.881 1.132 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.431 2.056 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.567 1.471 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.852 0.042 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.050 0.780 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.516 3.694 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.957 3.086 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.045 3.886 -3.820 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.577 -1.178 -3.929 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.800 -2.554 -4.345 1.00 0.00 C ATOM 1125 C ILE A 76 -6.479 -3.360 -3.241 1.00 0.00 C ATOM 1126 O ILE A 76 -6.158 -3.216 -2.056 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.475 -3.241 -4.732 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.734 -4.668 -5.218 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.512 -3.244 -3.551 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.477 -5.416 -5.603 1.00 0.00 C ATOM 0 H ILE A 76 -5.256 -1.074 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.453 -2.522 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.019 -2.678 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.250 -5.222 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.404 -4.634 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.582 -3.733 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.304 -2.218 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.961 -3.784 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.739 -6.420 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.970 -4.886 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.814 -5.482 -4.740 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.420 -4.210 -3.644 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.152 -5.050 -2.713 1.00 0.00 C ATOM 1144 C LEU A 77 -7.489 -6.423 -2.610 1.00 0.00 C ATOM 1145 O LEU A 77 -7.593 -7.241 -3.525 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.608 -5.185 -3.171 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.394 -6.338 -2.546 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -10.754 -6.018 -1.104 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -11.648 -6.628 -3.359 1.00 0.00 C ATOM 0 H LEU A 77 -7.692 -4.332 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.138 -4.588 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.128 -4.253 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.619 -5.306 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.765 -7.228 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.313 -6.850 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.842 -5.859 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.365 -5.116 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.196 -7.451 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.280 -5.740 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.367 -6.901 -4.376 1.00 0.00 H new ATOM 1161 N GLU A 78 -6.803 -6.667 -1.498 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.120 -7.938 -1.287 1.00 0.00 C ATOM 1163 C GLU A 78 -6.948 -8.869 -0.406 1.00 0.00 C ATOM 1164 O GLU A 78 -7.336 -8.505 0.704 1.00 0.00 O ATOM 1165 CB GLU A 78 -4.748 -7.703 -0.649 1.00 0.00 C ATOM 1166 CG GLU A 78 -3.645 -7.441 -1.660 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.291 -7.242 -1.008 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.255 -6.852 0.179 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -1.266 -7.476 -1.682 1.00 0.00 O ATOM 0 H GLU A 78 -6.705 -6.002 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.988 -8.413 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.814 -6.855 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.481 -8.574 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.589 -8.278 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.896 -6.556 -2.245 1.00 0.00 H new ATOM 1176 N SER A 79 -7.213 -10.070 -0.910 1.00 0.00 N ATOM 1177 CA SER A 79 -7.993 -11.056 -0.171 1.00 0.00 C ATOM 1178 C SER A 79 -7.338 -11.377 1.169 1.00 0.00 C ATOM 1179 O SER A 79 -8.077 -11.664 2.135 1.00 0.00 O ATOM 1180 CB SER A 79 -8.147 -12.336 -0.995 1.00 0.00 C ATOM 1181 OG SER A 79 -8.206 -12.046 -2.380 1.00 0.00 O ATOM 1182 OXT SER A 79 -6.093 -11.339 1.242 1.00 0.00 O ATOM 0 H SER A 79 -6.899 -10.384 -1.828 1.00 0.00 H new ATOM 0 HA SER A 79 -8.979 -10.633 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.309 -13.004 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.053 -12.861 -0.691 1.00 0.00 H new ATOM 0 HG SER A 79 -8.303 -12.880 -2.885 1.00 0.00 H new TER 1188 SER A 79