USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 76 CYS SG : rot 160:sc= 1.07 USER MOD Set 1.2: A 89 SER OG : rot -144:sc= 0.464 USER MOD Set 2.1: A 88 GLN : amide:sc= -0.566 X(o=-1.1,f=-1.1) USER MOD Set 2.2: A 105 ASN : amide:sc= -0.498 X(o=-1.1,f=-1.1) USER MOD Set 3.1: A 61 MET CE :methyl -150:sc= -0.253 (180deg=-1.7!) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.000889 X(o=-0.00089,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -165:sc=-0.00249 (180deg=-0.212) USER MOD Single : A 48 THR OG1 : rot -77:sc= 0.736 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -135:sc= -0.0712 (180deg=-1.87!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 59 TYR OH : rot -169:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.769 K(o=0.77,f=-0.05) USER MOD Single : A 68 GLN : amide:sc= 0.582 K(o=0.58,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.516 K(o=0.52,f=-4!) USER MOD Single : A 72 HIS : no HD1:sc= 0.68 K(o=0.68,f=-4.7!) USER MOD Single : A 73 MET CE :methyl -141:sc= -0.0195 (180deg=-0.281) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -134:sc= -2.01 (180deg=-6.89!) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 12.075 7.146 5.209 1.00 0.00 N ATOM 69 CA VAL A 27 13.525 7.411 5.089 1.00 0.00 C ATOM 70 C VAL A 27 13.808 8.588 4.137 1.00 0.00 C ATOM 71 O VAL A 27 12.893 9.135 3.519 1.00 0.00 O ATOM 72 CB VAL A 27 14.301 6.138 4.682 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.174 5.033 5.738 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.861 5.574 3.329 1.00 0.00 C ATOM 0 HA VAL A 27 13.888 7.705 6.074 1.00 0.00 H new ATOM 0 HB VAL A 27 15.341 6.454 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.733 4.155 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.574 5.389 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.124 4.768 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.443 4.681 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.803 5.317 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.024 6.322 2.553 1.00 0.00 H new ATOM 84 N ARG A 28 15.067 9.033 4.060 1.00 0.00 N ATOM 85 CA ARG A 28 15.538 10.121 3.178 1.00 0.00 C ATOM 86 C ARG A 28 16.083 9.566 1.833 1.00 0.00 C ATOM 87 O ARG A 28 16.790 8.555 1.859 1.00 0.00 O ATOM 88 CB ARG A 28 16.575 10.918 3.988 1.00 0.00 C ATOM 89 CG ARG A 28 17.019 12.243 3.351 1.00 0.00 C ATOM 90 CD ARG A 28 17.753 13.164 4.340 1.00 0.00 C ATOM 91 NE ARG A 28 18.825 12.481 5.094 1.00 0.00 N ATOM 92 CZ ARG A 28 18.796 12.084 6.357 1.00 0.00 C ATOM 93 NH1 ARG A 28 17.732 12.179 7.107 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.860 11.564 6.898 1.00 0.00 N ATOM 0 H ARG A 28 15.816 8.636 4.627 1.00 0.00 H new ATOM 0 HA ARG A 28 14.725 10.784 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.160 11.128 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.455 10.292 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.672 12.033 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.145 12.763 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.182 14.004 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.031 13.578 5.044 1.00 0.00 H new ATOM 0 HE ARG A 28 19.687 12.294 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.872 12.573 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.760 11.859 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.714 11.463 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.840 11.258 7.871 1.00 0.00 H new ATOM 108 N PRO A 29 15.769 10.180 0.669 1.00 0.00 N ATOM 109 CA PRO A 29 16.200 9.713 -0.660 1.00 0.00 C ATOM 110 C PRO A 29 17.673 10.013 -0.976 1.00 0.00 C ATOM 111 O PRO A 29 18.383 10.650 -0.193 1.00 0.00 O ATOM 112 CB PRO A 29 15.256 10.418 -1.647 1.00 0.00 C ATOM 113 CG PRO A 29 14.963 11.739 -0.957 1.00 0.00 C ATOM 114 CD PRO A 29 14.877 11.322 0.511 1.00 0.00 C ATOM 0 HA PRO A 29 16.142 8.626 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.726 10.566 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.347 9.841 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.752 12.471 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.033 12.185 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.176 12.141 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.855 11.056 0.780 1.00 0.00 H new ATOM 122 N LYS A 30 18.123 9.568 -2.161 1.00 0.00 N ATOM 123 CA LYS A 30 19.466 9.829 -2.687 1.00 0.00 C ATOM 124 C LYS A 30 19.686 11.336 -2.879 1.00 0.00 C ATOM 125 O LYS A 30 18.760 12.071 -3.226 1.00 0.00 O ATOM 126 CB LYS A 30 19.650 8.991 -3.966 1.00 0.00 C ATOM 127 CG LYS A 30 21.081 8.977 -4.519 1.00 0.00 C ATOM 128 CD LYS A 30 21.566 7.586 -4.955 1.00 0.00 C ATOM 129 CE LYS A 30 21.860 6.700 -3.734 1.00 0.00 C ATOM 130 NZ LYS A 30 22.382 5.364 -4.136 1.00 0.00 N ATOM 0 H LYS A 30 17.549 9.006 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 30 20.238 9.522 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.344 7.965 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.981 9.375 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.137 9.654 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.758 9.365 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.809 7.112 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.465 7.684 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.587 7.196 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.950 6.574 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.569 4.794 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.678 4.880 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.264 5.483 -4.674 1.00 0.00 H new ATOM 144 N LEU A 31 20.924 11.789 -2.686 1.00 0.00 N ATOM 145 CA LEU A 31 21.276 13.215 -2.583 1.00 0.00 C ATOM 146 C LEU A 31 20.804 14.089 -3.760 1.00 0.00 C ATOM 147 O LEU A 31 20.137 15.087 -3.491 1.00 0.00 O ATOM 148 CB LEU A 31 22.782 13.370 -2.269 1.00 0.00 C ATOM 149 CG LEU A 31 23.147 13.243 -0.775 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.840 11.872 -0.168 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.643 13.509 -0.596 1.00 0.00 C ATOM 0 H LEU A 31 21.729 11.169 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 31 20.706 13.615 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.335 12.616 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.116 14.343 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 31 22.529 13.975 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.126 11.867 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.773 11.666 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.402 11.104 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.905 13.420 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.214 12.782 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.878 14.515 -0.945 1.00 0.00 H new ATOM 163 N PRO A 32 21.006 13.730 -5.044 1.00 0.00 N ATOM 164 CA PRO A 32 20.495 14.544 -6.150 1.00 0.00 C ATOM 165 C PRO A 32 18.966 14.699 -6.151 1.00 0.00 C ATOM 166 O PRO A 32 18.464 15.759 -6.510 1.00 0.00 O ATOM 167 CB PRO A 32 21.025 13.881 -7.427 1.00 0.00 C ATOM 168 CG PRO A 32 22.322 13.235 -6.943 1.00 0.00 C ATOM 169 CD PRO A 32 21.923 12.724 -5.561 1.00 0.00 C ATOM 0 HA PRO A 32 20.844 15.573 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.326 13.144 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.204 14.608 -8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.646 12.427 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.141 13.952 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.444 11.747 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.793 12.612 -4.914 1.00 0.00 H new ATOM 177 N LEU A 33 18.206 13.704 -5.670 1.00 0.00 N ATOM 178 CA LEU A 33 16.738 13.798 -5.585 1.00 0.00 C ATOM 179 C LEU A 33 16.301 14.653 -4.390 1.00 0.00 C ATOM 180 O LEU A 33 15.364 15.438 -4.509 1.00 0.00 O ATOM 181 CB LEU A 33 16.136 12.382 -5.631 1.00 0.00 C ATOM 182 CG LEU A 33 14.613 12.319 -5.857 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.234 11.086 -6.678 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.832 12.261 -4.547 1.00 0.00 C ATOM 0 H LEU A 33 18.585 12.820 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 33 16.338 14.330 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.628 11.822 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.369 11.876 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 33 14.353 13.234 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.154 11.064 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.730 11.128 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.547 10.186 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.764 12.218 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.126 11.373 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.047 13.151 -3.955 1.00 0.00 H new ATOM 196 N LEU A 34 17.037 14.602 -3.276 1.00 0.00 N ATOM 197 CA LEU A 34 16.842 15.543 -2.169 1.00 0.00 C ATOM 198 C LEU A 34 17.103 16.991 -2.623 1.00 0.00 C ATOM 199 O LEU A 34 16.341 17.889 -2.275 1.00 0.00 O ATOM 200 CB LEU A 34 17.740 15.116 -0.993 1.00 0.00 C ATOM 201 CG LEU A 34 17.577 15.966 0.280 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.134 15.967 0.790 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.461 15.385 1.376 1.00 0.00 C ATOM 0 H LEU A 34 17.776 13.917 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 34 15.805 15.518 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.526 14.075 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.781 15.161 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 34 17.859 16.989 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.066 16.579 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.477 16.376 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.829 14.946 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.354 15.979 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.161 14.357 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.501 15.402 1.052 1.00 0.00 H new ATOM 215 N LYS A 35 18.112 17.213 -3.478 1.00 0.00 N ATOM 216 CA LYS A 35 18.400 18.527 -4.086 1.00 0.00 C ATOM 217 C LYS A 35 17.304 18.995 -5.051 1.00 0.00 C ATOM 218 O LYS A 35 16.973 20.177 -5.037 1.00 0.00 O ATOM 219 CB LYS A 35 19.796 18.518 -4.739 1.00 0.00 C ATOM 220 CG LYS A 35 20.920 18.979 -3.793 1.00 0.00 C ATOM 221 CD LYS A 35 20.920 18.292 -2.415 1.00 0.00 C ATOM 222 CE LYS A 35 22.214 18.512 -1.625 1.00 0.00 C ATOM 223 NZ LYS A 35 22.426 19.937 -1.241 1.00 0.00 N ATOM 0 H LYS A 35 18.759 16.481 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 35 18.405 19.266 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.018 17.510 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.782 19.165 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.880 18.797 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.836 20.056 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.079 18.666 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.764 17.222 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.193 17.898 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.060 18.172 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.316 20.025 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.476 20.524 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.635 20.258 -0.647 1.00 0.00 H new ATOM 237 N ILE A 36 16.666 18.095 -5.806 1.00 0.00 N ATOM 238 CA ILE A 36 15.457 18.410 -6.594 1.00 0.00 C ATOM 239 C ILE A 36 14.310 18.885 -5.682 1.00 0.00 C ATOM 240 O ILE A 36 13.686 19.910 -5.956 1.00 0.00 O ATOM 241 CB ILE A 36 15.058 17.192 -7.463 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.122 16.965 -8.560 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.679 17.382 -8.114 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.957 15.646 -9.324 1.00 0.00 C ATOM 0 H ILE A 36 16.969 17.125 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 36 15.677 19.237 -7.269 1.00 0.00 H new ATOM 0 HB ILE A 36 15.002 16.321 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.080 17.792 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.111 16.987 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.437 16.506 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.925 17.510 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.696 18.266 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.741 15.561 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.030 14.811 -8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.983 15.628 -9.812 1.00 0.00 H new ATOM 256 N LEU A 37 14.057 18.203 -4.561 1.00 0.00 N ATOM 257 CA LEU A 37 13.021 18.599 -3.597 1.00 0.00 C ATOM 258 C LEU A 37 13.371 19.900 -2.840 1.00 0.00 C ATOM 259 O LEU A 37 12.481 20.697 -2.545 1.00 0.00 O ATOM 260 CB LEU A 37 12.723 17.410 -2.663 1.00 0.00 C ATOM 261 CG LEU A 37 11.654 16.457 -3.234 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.989 15.775 -4.561 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.333 15.365 -2.225 1.00 0.00 C ATOM 0 H LEU A 37 14.564 17.359 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 37 12.109 18.845 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.643 16.853 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.388 17.787 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 37 10.808 17.115 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.161 15.131 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.154 16.532 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.891 15.175 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.577 14.698 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.237 14.797 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.955 15.817 -1.308 1.00 0.00 H new ATOM 275 N HIS A 38 14.659 20.182 -2.608 1.00 0.00 N ATOM 276 CA HIS A 38 15.126 21.482 -2.098 1.00 0.00 C ATOM 277 C HIS A 38 14.913 22.603 -3.129 1.00 0.00 C ATOM 278 O HIS A 38 14.401 23.666 -2.779 1.00 0.00 O ATOM 279 CB HIS A 38 16.606 21.395 -1.682 1.00 0.00 C ATOM 280 CG HIS A 38 16.904 20.624 -0.411 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.135 20.640 0.254 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.036 19.847 0.304 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.977 19.881 1.352 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.725 19.394 1.410 1.00 0.00 N ATOM 0 H HIS A 38 15.412 19.513 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 38 14.531 21.730 -1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.164 20.937 -2.498 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.988 22.409 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.009 19.630 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.747 19.689 2.084 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.350 18.794 2.144 1.00 0.00 H new ATOM 292 N ALA A 39 15.211 22.354 -4.410 1.00 0.00 N ATOM 293 CA ALA A 39 14.956 23.289 -5.513 1.00 0.00 C ATOM 294 C ALA A 39 13.456 23.565 -5.738 1.00 0.00 C ATOM 295 O ALA A 39 13.091 24.640 -6.218 1.00 0.00 O ATOM 296 CB ALA A 39 15.583 22.721 -6.787 1.00 0.00 C ATOM 0 H ALA A 39 15.644 21.482 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 39 15.406 24.247 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.403 23.404 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.657 22.602 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.137 21.752 -7.011 1.00 0.00 H new ATOM 302 N ALA A 40 12.582 22.629 -5.346 1.00 0.00 N ATOM 303 CA ALA A 40 11.132 22.824 -5.325 1.00 0.00 C ATOM 304 C ALA A 40 10.660 23.819 -4.233 1.00 0.00 C ATOM 305 O ALA A 40 9.483 24.188 -4.202 1.00 0.00 O ATOM 306 CB ALA A 40 10.452 21.458 -5.149 1.00 0.00 C ATOM 0 H ALA A 40 12.870 21.703 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 40 10.844 23.274 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.370 21.590 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.725 20.806 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.778 21.008 -4.211 1.00 0.00 H new ATOM 312 N GLY A 41 11.555 24.240 -3.325 1.00 0.00 N ATOM 313 CA GLY A 41 11.260 25.136 -2.200 1.00 0.00 C ATOM 314 C GLY A 41 10.580 24.448 -1.007 1.00 0.00 C ATOM 315 O GLY A 41 9.946 25.128 -0.196 1.00 0.00 O ATOM 0 H GLY A 41 12.534 23.956 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.190 25.592 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.619 25.944 -2.552 1.00 0.00 H new ATOM 319 N ALA A 42 10.685 23.115 -0.900 1.00 0.00 N ATOM 320 CA ALA A 42 9.919 22.294 0.050 1.00 0.00 C ATOM 321 C ALA A 42 10.712 21.709 1.228 1.00 0.00 C ATOM 322 O ALA A 42 10.195 20.908 2.014 1.00 0.00 O ATOM 323 CB ALA A 42 9.233 21.191 -0.756 1.00 0.00 C ATOM 0 H ALA A 42 11.317 22.567 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 42 9.205 22.954 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.652 20.558 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.570 21.640 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.987 20.588 -1.262 1.00 0.00 H new ATOM 329 N GLN A 43 11.966 22.138 1.345 1.00 0.00 N ATOM 330 CA GLN A 43 12.992 21.578 2.234 1.00 0.00 C ATOM 331 C GLN A 43 13.067 20.032 2.102 1.00 0.00 C ATOM 332 O GLN A 43 12.665 19.467 1.080 1.00 0.00 O ATOM 333 CB GLN A 43 12.734 22.130 3.654 1.00 0.00 C ATOM 334 CG GLN A 43 13.987 22.244 4.542 1.00 0.00 C ATOM 335 CD GLN A 43 13.653 22.830 5.916 1.00 0.00 C ATOM 336 OE1 GLN A 43 13.757 24.027 6.155 1.00 0.00 O ATOM 337 NE2 GLN A 43 13.230 22.024 6.870 1.00 0.00 N ATOM 0 H GLN A 43 12.316 22.924 0.797 1.00 0.00 H new ATOM 0 HA GLN A 43 13.997 21.893 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.277 23.116 3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.010 21.485 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.437 21.259 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.728 22.873 4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.137 21.024 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.996 22.400 7.789 1.00 0.00 H new ATOM 346 N GLY A 44 13.619 19.327 3.094 1.00 0.00 N ATOM 347 CA GLY A 44 13.537 17.862 3.156 1.00 0.00 C ATOM 348 C GLY A 44 14.495 17.195 4.137 1.00 0.00 C ATOM 349 O GLY A 44 15.684 17.511 4.155 1.00 0.00 O ATOM 0 H GLY A 44 14.130 19.749 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.518 17.583 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.727 17.462 2.160 1.00 0.00 H new ATOM 353 N GLU A 45 13.975 16.239 4.915 1.00 0.00 N ATOM 354 CA GLU A 45 14.751 15.396 5.847 1.00 0.00 C ATOM 355 C GLU A 45 14.330 13.908 5.854 1.00 0.00 C ATOM 356 O GLU A 45 15.113 13.068 6.292 1.00 0.00 O ATOM 357 CB GLU A 45 14.636 15.967 7.275 1.00 0.00 C ATOM 358 CG GLU A 45 15.321 17.330 7.447 1.00 0.00 C ATOM 359 CD GLU A 45 15.287 17.780 8.920 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.306 18.445 9.336 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.244 17.480 9.676 1.00 0.00 O ATOM 0 H GLU A 45 12.979 16.020 4.918 1.00 0.00 H new ATOM 0 HA GLU A 45 15.782 15.421 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.582 16.064 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.074 15.258 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.354 17.268 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.823 18.073 6.824 1.00 0.00 H new ATOM 368 N MET A 46 13.118 13.576 5.387 1.00 0.00 N ATOM 369 CA MET A 46 12.502 12.232 5.326 1.00 0.00 C ATOM 370 C MET A 46 11.149 12.307 4.585 1.00 0.00 C ATOM 371 O MET A 46 10.321 13.153 4.931 1.00 0.00 O ATOM 372 CB MET A 46 12.233 11.716 6.758 1.00 0.00 C ATOM 373 CG MET A 46 13.233 10.645 7.209 1.00 0.00 C ATOM 374 SD MET A 46 13.317 10.399 9.004 1.00 0.00 S ATOM 375 CE MET A 46 14.182 11.924 9.481 1.00 0.00 C ATOM 0 H MET A 46 12.492 14.289 5.013 1.00 0.00 H new ATOM 0 HA MET A 46 13.183 11.562 4.801 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.270 12.555 7.453 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.224 11.306 6.807 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.969 9.698 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.224 10.916 6.846 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.555 11.827 10.501 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.018 12.095 8.803 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.492 12.766 9.426 1.00 0.00 H new ATOM 385 N PHE A 47 10.893 11.421 3.610 1.00 0.00 N ATOM 386 CA PHE A 47 9.589 11.313 2.922 1.00 0.00 C ATOM 387 C PHE A 47 9.384 9.997 2.135 1.00 0.00 C ATOM 388 O PHE A 47 10.325 9.369 1.651 1.00 0.00 O ATOM 389 CB PHE A 47 9.257 12.536 2.039 1.00 0.00 C ATOM 390 CG PHE A 47 10.362 13.508 1.690 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.553 13.044 1.114 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.175 14.882 1.914 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.567 13.960 0.780 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.181 15.799 1.562 1.00 0.00 C ATOM 395 CZ PHE A 47 12.382 15.333 1.000 1.00 0.00 C ATOM 0 H PHE A 47 11.586 10.754 3.272 1.00 0.00 H new ATOM 0 HA PHE A 47 8.874 11.294 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.839 12.163 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.469 13.099 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.691 11.989 0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.256 15.235 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.493 13.604 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.032 16.856 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.162 16.032 0.738 1.00 0.00 H new ATOM 405 N THR A 48 8.114 9.611 2.006 1.00 0.00 N ATOM 406 CA THR A 48 7.576 8.469 1.219 1.00 0.00 C ATOM 407 C THR A 48 7.401 8.815 -0.267 1.00 0.00 C ATOM 408 O THR A 48 7.524 9.981 -0.628 1.00 0.00 O ATOM 409 CB THR A 48 6.185 8.059 1.749 1.00 0.00 C ATOM 410 OG1 THR A 48 5.305 9.161 1.701 1.00 0.00 O ATOM 411 CG2 THR A 48 6.193 7.531 3.177 1.00 0.00 C ATOM 0 H THR A 48 7.367 10.119 2.480 1.00 0.00 H new ATOM 0 HA THR A 48 8.301 7.662 1.325 1.00 0.00 H new ATOM 0 HB THR A 48 5.857 7.248 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.504 9.771 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.178 7.266 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.830 6.649 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.577 8.300 3.847 1.00 0.00 H new ATOM 419 N VAL A 49 7.025 7.859 -1.140 1.00 0.00 N ATOM 420 CA VAL A 49 6.609 8.172 -2.535 1.00 0.00 C ATOM 421 C VAL A 49 5.503 9.235 -2.524 1.00 0.00 C ATOM 422 O VAL A 49 5.662 10.271 -3.160 1.00 0.00 O ATOM 423 CB VAL A 49 6.206 6.896 -3.336 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.976 6.999 -4.251 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.362 6.442 -4.236 1.00 0.00 C ATOM 0 H VAL A 49 6.999 6.865 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 49 7.469 8.584 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 49 5.954 6.195 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.810 6.042 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.100 7.256 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.144 7.771 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.065 5.550 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.611 7.238 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.233 6.215 -3.622 1.00 0.00 H new ATOM 435 N LYS A 50 4.436 9.056 -1.732 1.00 0.00 N ATOM 436 CA LYS A 50 3.279 9.975 -1.695 1.00 0.00 C ATOM 437 C LYS A 50 3.685 11.427 -1.397 1.00 0.00 C ATOM 438 O LYS A 50 3.149 12.359 -1.995 1.00 0.00 O ATOM 439 CB LYS A 50 2.276 9.438 -0.654 1.00 0.00 C ATOM 440 CG LYS A 50 0.944 10.205 -0.567 1.00 0.00 C ATOM 441 CD LYS A 50 0.118 10.139 -1.862 1.00 0.00 C ATOM 442 CE LYS A 50 -1.251 10.798 -1.644 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.102 10.720 -2.864 1.00 0.00 N ATOM 0 H LYS A 50 4.347 8.266 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 50 2.816 10.004 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.061 8.395 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.751 9.456 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.352 9.800 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.149 11.249 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.650 10.644 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.013 9.101 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.761 10.311 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.112 11.842 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.018 11.176 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.627 11.207 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.256 9.723 -3.117 1.00 0.00 H new ATOM 457 N GLU A 51 4.666 11.609 -0.516 1.00 0.00 N ATOM 458 CA GLU A 51 5.247 12.914 -0.175 1.00 0.00 C ATOM 459 C GLU A 51 6.283 13.406 -1.203 1.00 0.00 C ATOM 460 O GLU A 51 6.310 14.592 -1.530 1.00 0.00 O ATOM 461 CB GLU A 51 5.900 12.804 1.207 1.00 0.00 C ATOM 462 CG GLU A 51 4.910 12.546 2.348 1.00 0.00 C ATOM 463 CD GLU A 51 5.661 12.128 3.628 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.280 11.033 3.629 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.635 12.885 4.629 1.00 0.00 O ATOM 0 H GLU A 51 5.092 10.836 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 51 4.441 13.648 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.633 11.998 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.445 13.725 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.324 13.445 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.208 11.764 2.059 1.00 0.00 H new ATOM 472 N VAL A 52 7.120 12.516 -1.747 1.00 0.00 N ATOM 473 CA VAL A 52 8.162 12.864 -2.725 1.00 0.00 C ATOM 474 C VAL A 52 7.554 13.300 -4.052 1.00 0.00 C ATOM 475 O VAL A 52 7.910 14.365 -4.548 1.00 0.00 O ATOM 476 CB VAL A 52 9.181 11.718 -2.921 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.086 11.914 -4.146 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.117 11.620 -1.712 1.00 0.00 C ATOM 0 H VAL A 52 7.094 11.522 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 52 8.712 13.712 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 52 8.577 10.820 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.777 11.075 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.474 11.966 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.650 12.840 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.828 10.808 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.658 12.559 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.532 11.423 -0.814 1.00 0.00 H new ATOM 488 N MET A 53 6.627 12.531 -4.632 1.00 0.00 N ATOM 489 CA MET A 53 6.093 12.813 -5.978 1.00 0.00 C ATOM 490 C MET A 53 5.241 14.073 -6.018 1.00 0.00 C ATOM 491 O MET A 53 5.128 14.719 -7.054 1.00 0.00 O ATOM 492 CB MET A 53 5.269 11.646 -6.540 1.00 0.00 C ATOM 493 CG MET A 53 5.742 10.226 -6.237 1.00 0.00 C ATOM 494 SD MET A 53 7.504 9.850 -5.976 1.00 0.00 S ATOM 495 CE MET A 53 8.214 10.600 -7.452 1.00 0.00 C ATOM 0 H MET A 53 6.226 11.703 -4.191 1.00 0.00 H new ATOM 0 HA MET A 53 6.974 12.961 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.250 11.746 -6.166 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.224 11.759 -7.623 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.212 9.899 -5.343 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.401 9.596 -7.058 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.939 9.917 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.422 10.805 -8.173 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.711 11.532 -7.183 1.00 0.00 H new ATOM 505 N HIS A 54 4.700 14.435 -4.864 1.00 0.00 N ATOM 506 CA HIS A 54 4.028 15.725 -4.648 1.00 0.00 C ATOM 507 C HIS A 54 4.981 16.907 -4.925 1.00 0.00 C ATOM 508 O HIS A 54 4.714 17.737 -5.797 1.00 0.00 O ATOM 509 CB HIS A 54 3.426 15.772 -3.235 1.00 0.00 C ATOM 510 CG HIS A 54 2.731 17.077 -2.932 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.582 17.556 -3.569 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.141 17.995 -2.010 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.325 18.753 -3.012 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.245 19.040 -2.073 1.00 0.00 N ATOM 0 H HIS A 54 4.711 13.840 -4.036 1.00 0.00 H new ATOM 0 HA HIS A 54 3.208 15.822 -5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.715 14.954 -3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.218 15.610 -2.503 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.999 17.918 -1.359 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.498 19.393 -3.280 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.274 19.887 -1.505 1.00 0.00 H new ATOM 522 N TYR A 55 6.139 16.947 -4.255 1.00 0.00 N ATOM 523 CA TYR A 55 7.167 17.982 -4.455 1.00 0.00 C ATOM 524 C TYR A 55 7.965 17.817 -5.763 1.00 0.00 C ATOM 525 O TYR A 55 8.340 18.814 -6.378 1.00 0.00 O ATOM 526 CB TYR A 55 8.096 17.997 -3.233 1.00 0.00 C ATOM 527 CG TYR A 55 7.411 18.294 -1.906 1.00 0.00 C ATOM 528 CD1 TYR A 55 6.571 19.419 -1.767 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.625 17.443 -0.802 1.00 0.00 C ATOM 530 CE1 TYR A 55 5.943 19.688 -0.534 1.00 0.00 C ATOM 531 CE2 TYR A 55 6.998 17.708 0.430 1.00 0.00 C ATOM 532 CZ TYR A 55 6.155 18.831 0.569 1.00 0.00 C ATOM 533 OH TYR A 55 5.550 19.079 1.765 1.00 0.00 O ATOM 0 H TYR A 55 6.394 16.255 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 55 6.658 18.941 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.591 17.029 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.875 18.742 -3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.409 20.076 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.273 16.585 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.300 20.549 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.162 17.050 1.271 1.00 0.00 H new ATOM 0 HH TYR A 55 5.807 18.388 2.411 1.00 0.00 H new ATOM 543 N LEU A 56 8.189 16.589 -6.244 1.00 0.00 N ATOM 544 CA LEU A 56 8.844 16.333 -7.537 1.00 0.00 C ATOM 545 C LEU A 56 7.936 16.745 -8.710 1.00 0.00 C ATOM 546 O LEU A 56 8.403 17.362 -9.661 1.00 0.00 O ATOM 547 CB LEU A 56 9.290 14.855 -7.623 1.00 0.00 C ATOM 548 CG LEU A 56 10.702 14.663 -8.212 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.131 13.202 -8.097 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.793 15.059 -9.681 1.00 0.00 C ATOM 0 H LEU A 56 7.921 15.740 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 56 9.740 16.950 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.261 14.418 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.574 14.304 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 56 11.357 15.315 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.130 13.082 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.141 12.907 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.429 12.573 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.811 14.901 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.105 14.449 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.529 16.111 -9.791 1.00 0.00 H new ATOM 562 N GLY A 57 6.628 16.508 -8.611 1.00 0.00 N ATOM 563 CA GLY A 57 5.628 17.003 -9.559 1.00 0.00 C ATOM 564 C GLY A 57 5.559 18.529 -9.589 1.00 0.00 C ATOM 565 O GLY A 57 5.556 19.123 -10.663 1.00 0.00 O ATOM 0 H GLY A 57 6.225 15.955 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.863 16.633 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.650 16.603 -9.293 1.00 0.00 H new ATOM 569 N GLN A 58 5.615 19.177 -8.421 1.00 0.00 N ATOM 570 CA GLN A 58 5.743 20.635 -8.290 1.00 0.00 C ATOM 571 C GLN A 58 7.037 21.165 -8.941 1.00 0.00 C ATOM 572 O GLN A 58 6.990 22.159 -9.671 1.00 0.00 O ATOM 573 CB GLN A 58 5.644 20.978 -6.791 1.00 0.00 C ATOM 574 CG GLN A 58 5.968 22.423 -6.387 1.00 0.00 C ATOM 575 CD GLN A 58 4.984 23.451 -6.949 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.042 23.873 -6.292 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.150 23.892 -8.181 1.00 0.00 N ATOM 0 H GLN A 58 5.572 18.696 -7.523 1.00 0.00 H new ATOM 0 HA GLN A 58 4.938 21.134 -8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.631 20.751 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.315 20.315 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.974 22.495 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.973 22.670 -6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.930 23.552 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.499 24.573 -8.571 1.00 0.00 H new ATOM 586 N TYR A 59 8.175 20.492 -8.734 1.00 0.00 N ATOM 587 CA TYR A 59 9.447 20.822 -9.381 1.00 0.00 C ATOM 588 C TYR A 59 9.326 20.714 -10.907 1.00 0.00 C ATOM 589 O TYR A 59 9.576 21.675 -11.629 1.00 0.00 O ATOM 590 CB TYR A 59 10.547 19.904 -8.836 1.00 0.00 C ATOM 591 CG TYR A 59 11.861 20.035 -9.569 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.803 21.001 -9.171 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.135 19.180 -10.652 1.00 0.00 C ATOM 594 CE1 TYR A 59 14.028 21.101 -9.857 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.348 19.287 -11.353 1.00 0.00 C ATOM 596 CZ TYR A 59 14.309 20.244 -10.945 1.00 0.00 C ATOM 597 OH TYR A 59 15.509 20.355 -11.571 1.00 0.00 O ATOM 0 H TYR A 59 8.237 19.692 -8.104 1.00 0.00 H new ATOM 0 HA TYR A 59 9.712 21.854 -9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.705 20.127 -7.781 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.208 18.870 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.588 21.662 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.409 18.437 -10.946 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.757 21.836 -9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.546 18.644 -12.197 1.00 0.00 H new ATOM 0 HH TYR A 59 15.496 19.831 -12.399 1.00 0.00 H new ATOM 607 N ILE A 60 8.843 19.576 -11.405 1.00 0.00 N ATOM 608 CA ILE A 60 8.649 19.322 -12.837 1.00 0.00 C ATOM 609 C ILE A 60 7.670 20.335 -13.450 1.00 0.00 C ATOM 610 O ILE A 60 7.919 20.820 -14.550 1.00 0.00 O ATOM 611 CB ILE A 60 8.245 17.839 -13.022 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.501 16.961 -12.778 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.597 17.580 -14.394 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.279 15.448 -12.894 1.00 0.00 C ATOM 0 H ILE A 60 8.570 18.789 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 60 9.576 19.474 -13.390 1.00 0.00 H new ATOM 0 HB ILE A 60 7.477 17.574 -12.295 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.272 17.254 -13.491 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.888 17.179 -11.783 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.331 16.526 -14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.699 18.190 -14.493 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.302 17.840 -15.184 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.218 14.927 -12.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.536 15.132 -12.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.926 15.208 -13.897 1.00 0.00 H new ATOM 626 N MET A 61 6.626 20.739 -12.724 1.00 0.00 N ATOM 627 CA MET A 61 5.687 21.788 -13.136 1.00 0.00 C ATOM 628 C MET A 61 6.362 23.164 -13.257 1.00 0.00 C ATOM 629 O MET A 61 6.150 23.848 -14.257 1.00 0.00 O ATOM 630 CB MET A 61 4.505 21.815 -12.145 1.00 0.00 C ATOM 631 CG MET A 61 3.426 22.881 -12.399 1.00 0.00 C ATOM 632 SD MET A 61 2.060 22.445 -13.517 1.00 0.00 S ATOM 633 CE MET A 61 2.903 22.310 -15.114 1.00 0.00 C ATOM 0 H MET A 61 6.404 20.338 -11.813 1.00 0.00 H new ATOM 0 HA MET A 61 5.317 21.555 -14.134 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.027 20.835 -12.156 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.903 21.964 -11.141 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.997 23.161 -11.437 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.917 23.768 -12.799 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.212 22.578 -15.914 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.758 22.985 -15.132 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.246 21.286 -15.259 1.00 0.00 H new ATOM 643 N VAL A 62 7.173 23.586 -12.275 1.00 0.00 N ATOM 644 CA VAL A 62 7.801 24.923 -12.255 1.00 0.00 C ATOM 645 C VAL A 62 9.025 25.042 -13.172 1.00 0.00 C ATOM 646 O VAL A 62 9.302 26.118 -13.705 1.00 0.00 O ATOM 647 CB VAL A 62 8.058 25.378 -10.806 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.199 24.661 -10.084 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.337 26.874 -10.746 1.00 0.00 C ATOM 0 H VAL A 62 7.415 23.010 -11.468 1.00 0.00 H new ATOM 0 HA VAL A 62 7.089 25.625 -12.689 1.00 0.00 H new ATOM 0 HB VAL A 62 7.136 25.115 -10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.295 25.056 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.986 23.593 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.131 24.822 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.515 27.170 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.217 27.104 -11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.478 27.420 -11.137 1.00 0.00 H new ATOM 659 N LYS A 63 9.727 23.925 -13.397 1.00 0.00 N ATOM 660 CA LYS A 63 10.870 23.811 -14.328 1.00 0.00 C ATOM 661 C LYS A 63 10.471 23.374 -15.747 1.00 0.00 C ATOM 662 O LYS A 63 11.261 23.534 -16.676 1.00 0.00 O ATOM 663 CB LYS A 63 11.937 22.854 -13.751 1.00 0.00 C ATOM 664 CG LYS A 63 12.473 23.180 -12.344 1.00 0.00 C ATOM 665 CD LYS A 63 12.724 24.670 -12.085 1.00 0.00 C ATOM 666 CE LYS A 63 13.441 24.846 -10.737 1.00 0.00 C ATOM 667 NZ LYS A 63 13.766 26.274 -10.460 1.00 0.00 N ATOM 0 H LYS A 63 9.514 23.046 -12.925 1.00 0.00 H new ATOM 0 HA LYS A 63 11.285 24.814 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.516 21.849 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.782 22.832 -14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.762 22.811 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.405 22.636 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.329 25.092 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.779 25.213 -12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.811 24.456 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.359 24.258 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.249 26.348 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.388 26.640 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.888 26.831 -10.436 1.00 0.00 H new ATOM 681 N GLN A 64 9.256 22.842 -15.913 1.00 0.00 N ATOM 682 CA GLN A 64 8.727 22.217 -17.126 1.00 0.00 C ATOM 683 C GLN A 64 9.625 21.081 -17.668 1.00 0.00 C ATOM 684 O GLN A 64 10.291 21.222 -18.696 1.00 0.00 O ATOM 685 CB GLN A 64 8.319 23.233 -18.216 1.00 0.00 C ATOM 686 CG GLN A 64 7.258 24.261 -17.793 1.00 0.00 C ATOM 687 CD GLN A 64 7.844 25.479 -17.079 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.726 26.171 -17.572 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.374 25.801 -15.897 1.00 0.00 N ATOM 0 H GLN A 64 8.574 22.837 -15.155 1.00 0.00 H new ATOM 0 HA GLN A 64 7.799 21.738 -16.815 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.211 23.769 -18.542 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.944 22.683 -19.080 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.713 24.594 -18.676 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.535 23.777 -17.136 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.639 25.237 -15.469 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.743 26.615 -15.406 1.00 0.00 H new ATOM 698 N LEU A 65 9.624 19.930 -16.979 1.00 0.00 N ATOM 699 CA LEU A 65 10.388 18.722 -17.351 1.00 0.00 C ATOM 700 C LEU A 65 9.548 17.723 -18.179 1.00 0.00 C ATOM 701 O LEU A 65 9.852 16.532 -18.256 1.00 0.00 O ATOM 702 CB LEU A 65 11.028 18.113 -16.092 1.00 0.00 C ATOM 703 CG LEU A 65 12.376 17.421 -16.356 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.481 18.403 -16.756 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.822 16.727 -15.078 1.00 0.00 C ATOM 0 H LEU A 65 9.079 19.807 -16.126 1.00 0.00 H new ATOM 0 HA LEU A 65 11.198 19.004 -18.023 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.173 18.900 -15.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.337 17.390 -15.658 1.00 0.00 H new ATOM 0 HG LEU A 65 12.224 16.724 -17.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.408 17.857 -16.929 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.191 18.925 -17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.631 19.128 -15.956 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.777 16.231 -15.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.933 17.464 -14.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.076 15.988 -14.786 1.00 0.00 H new ATOM 717 N TYR A 66 8.451 18.210 -18.759 1.00 0.00 N ATOM 718 CA TYR A 66 7.434 17.447 -19.481 1.00 0.00 C ATOM 719 C TYR A 66 7.178 18.037 -20.877 1.00 0.00 C ATOM 720 O TYR A 66 7.481 19.209 -21.124 1.00 0.00 O ATOM 721 CB TYR A 66 6.147 17.402 -18.638 1.00 0.00 C ATOM 722 CG TYR A 66 5.493 18.762 -18.444 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.569 19.234 -19.396 1.00 0.00 C ATOM 724 CD2 TYR A 66 5.852 19.583 -17.356 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.039 20.534 -19.295 1.00 0.00 C ATOM 726 CE2 TYR A 66 5.319 20.882 -17.247 1.00 0.00 C ATOM 727 CZ TYR A 66 4.426 21.369 -18.225 1.00 0.00 C ATOM 728 OH TYR A 66 3.951 22.642 -18.134 1.00 0.00 O ATOM 0 H TYR A 66 8.236 19.207 -18.736 1.00 0.00 H new ATOM 0 HA TYR A 66 7.791 16.429 -19.636 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.434 16.731 -19.116 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.378 16.978 -17.661 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.264 18.593 -20.210 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.536 19.216 -16.605 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.338 20.892 -20.035 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.595 21.508 -16.411 1.00 0.00 H new ATOM 0 HH TYR A 66 4.320 23.073 -17.335 1.00 0.00 H new ATOM 738 N ASP A 67 6.599 17.255 -21.795 1.00 0.00 N ATOM 739 CA ASP A 67 6.182 17.787 -23.100 1.00 0.00 C ATOM 740 C ASP A 67 4.821 18.499 -23.001 1.00 0.00 C ATOM 741 O ASP A 67 3.824 17.899 -22.594 1.00 0.00 O ATOM 742 CB ASP A 67 6.164 16.702 -24.191 1.00 0.00 C ATOM 743 CG ASP A 67 6.299 17.309 -25.591 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.631 18.331 -25.865 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.052 16.771 -26.434 1.00 0.00 O ATOM 0 H ASP A 67 6.409 16.262 -21.662 1.00 0.00 H new ATOM 0 HA ASP A 67 6.928 18.524 -23.397 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.978 15.998 -24.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.235 16.136 -24.127 1.00 0.00 H new ATOM 750 N GLN A 68 4.750 19.765 -23.423 1.00 0.00 N ATOM 751 CA GLN A 68 3.493 20.522 -23.504 1.00 0.00 C ATOM 752 C GLN A 68 2.441 19.895 -24.443 1.00 0.00 C ATOM 753 O GLN A 68 1.256 20.222 -24.343 1.00 0.00 O ATOM 754 CB GLN A 68 3.783 21.972 -23.938 1.00 0.00 C ATOM 755 CG GLN A 68 4.285 22.149 -25.389 1.00 0.00 C ATOM 756 CD GLN A 68 5.812 22.129 -25.511 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.476 23.149 -25.374 1.00 0.00 O ATOM 758 NE2 GLN A 68 6.450 21.001 -25.753 1.00 0.00 N ATOM 0 H GLN A 68 5.567 20.298 -23.720 1.00 0.00 H new ATOM 0 HA GLN A 68 3.060 20.499 -22.504 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.872 22.558 -23.814 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.527 22.392 -23.262 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.868 21.356 -26.009 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.909 23.093 -25.783 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.926 20.134 -25.872 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.468 20.995 -25.821 1.00 0.00 H new ATOM 767 N GLN A 69 2.856 19.028 -25.374 1.00 0.00 N ATOM 768 CA GLN A 69 1.974 18.418 -26.364 1.00 0.00 C ATOM 769 C GLN A 69 1.202 17.227 -25.771 1.00 0.00 C ATOM 770 O GLN A 69 0.032 17.004 -26.085 1.00 0.00 O ATOM 771 CB GLN A 69 2.833 17.921 -27.536 1.00 0.00 C ATOM 772 CG GLN A 69 3.662 19.025 -28.207 1.00 0.00 C ATOM 773 CD GLN A 69 4.613 18.461 -29.257 1.00 0.00 C ATOM 774 OE1 GLN A 69 4.364 18.504 -30.457 1.00 0.00 O ATOM 775 NE2 GLN A 69 5.736 17.907 -28.850 1.00 0.00 N ATOM 0 H GLN A 69 3.828 18.729 -25.458 1.00 0.00 H new ATOM 0 HA GLN A 69 1.249 19.163 -26.693 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.505 17.142 -27.177 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.184 17.463 -28.282 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.994 19.749 -28.674 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.234 19.561 -27.450 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.953 17.866 -27.854 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.389 17.519 -29.531 1.00 0.00 H new ATOM 784 N GLU A 70 1.880 16.477 -24.898 1.00 0.00 N ATOM 785 CA GLU A 70 1.430 15.248 -24.243 1.00 0.00 C ATOM 786 C GLU A 70 2.092 15.134 -22.856 1.00 0.00 C ATOM 787 O GLU A 70 3.191 14.595 -22.716 1.00 0.00 O ATOM 788 CB GLU A 70 1.803 14.026 -25.105 1.00 0.00 C ATOM 789 CG GLU A 70 1.015 13.927 -26.415 1.00 0.00 C ATOM 790 CD GLU A 70 1.197 12.544 -27.069 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.535 11.568 -26.634 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.999 12.418 -28.027 1.00 0.00 O ATOM 0 H GLU A 70 2.825 16.732 -24.611 1.00 0.00 H new ATOM 0 HA GLU A 70 0.347 15.278 -24.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.868 14.067 -25.335 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.637 13.119 -24.523 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.043 14.104 -26.221 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.348 14.704 -27.103 1.00 0.00 H new ATOM 799 N GLN A 71 1.425 15.635 -21.813 1.00 0.00 N ATOM 800 CA GLN A 71 2.004 15.797 -20.471 1.00 0.00 C ATOM 801 C GLN A 71 2.363 14.472 -19.767 1.00 0.00 C ATOM 802 O GLN A 71 3.105 14.486 -18.782 1.00 0.00 O ATOM 803 CB GLN A 71 1.062 16.647 -19.600 1.00 0.00 C ATOM 804 CG GLN A 71 0.924 18.104 -20.083 1.00 0.00 C ATOM 805 CD GLN A 71 -0.048 18.348 -21.244 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.724 17.464 -21.758 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.159 19.573 -21.709 1.00 0.00 N ATOM 0 H GLN A 71 0.455 15.944 -21.875 1.00 0.00 H new ATOM 0 HA GLN A 71 2.956 16.310 -20.606 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.076 16.183 -19.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.430 16.646 -18.574 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.607 18.716 -19.238 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.910 18.460 -20.382 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.393 20.326 -21.298 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.797 19.770 -22.480 1.00 0.00 H new ATOM 816 N HIS A 72 1.903 13.325 -20.290 1.00 0.00 N ATOM 817 CA HIS A 72 2.345 12.002 -19.829 1.00 0.00 C ATOM 818 C HIS A 72 3.830 11.722 -20.127 1.00 0.00 C ATOM 819 O HIS A 72 4.431 10.913 -19.421 1.00 0.00 O ATOM 820 CB HIS A 72 1.431 10.900 -20.401 1.00 0.00 C ATOM 821 CG HIS A 72 1.574 10.646 -21.883 1.00 0.00 C ATOM 822 ND1 HIS A 72 2.640 9.975 -22.491 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.682 11.020 -22.845 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.379 9.987 -23.809 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.205 10.594 -24.047 1.00 0.00 N ATOM 0 H HIS A 72 1.216 13.290 -21.043 1.00 0.00 H new ATOM 0 HA HIS A 72 2.258 11.997 -18.742 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.634 9.971 -19.869 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.395 11.167 -20.193 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.249 11.546 -22.695 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.022 9.568 -24.569 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.773 10.719 -24.963 1.00 0.00 H new ATOM 833 N MET A 73 4.430 12.395 -21.120 1.00 0.00 N ATOM 834 CA MET A 73 5.852 12.312 -21.478 1.00 0.00 C ATOM 835 C MET A 73 6.692 13.212 -20.558 1.00 0.00 C ATOM 836 O MET A 73 6.553 14.438 -20.573 1.00 0.00 O ATOM 837 CB MET A 73 6.018 12.718 -22.957 1.00 0.00 C ATOM 838 CG MET A 73 7.458 12.833 -23.494 1.00 0.00 C ATOM 839 SD MET A 73 8.154 11.381 -24.339 1.00 0.00 S ATOM 840 CE MET A 73 8.774 10.413 -22.942 1.00 0.00 C ATOM 0 H MET A 73 3.915 13.039 -21.720 1.00 0.00 H new ATOM 0 HA MET A 73 6.207 11.290 -21.347 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.485 11.991 -23.570 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.525 13.679 -23.102 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.493 13.674 -24.186 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.111 13.081 -22.657 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.726 9.955 -23.211 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.916 11.066 -22.081 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.054 9.634 -22.691 1.00 0.00 H new ATOM 850 N VAL A 74 7.616 12.601 -19.814 1.00 0.00 N ATOM 851 CA VAL A 74 8.650 13.265 -19.006 1.00 0.00 C ATOM 852 C VAL A 74 9.986 13.145 -19.743 1.00 0.00 C ATOM 853 O VAL A 74 10.356 12.055 -20.179 1.00 0.00 O ATOM 854 CB VAL A 74 8.737 12.657 -17.588 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.646 13.496 -16.680 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.353 12.573 -16.930 1.00 0.00 C ATOM 0 H VAL A 74 7.669 11.584 -19.753 1.00 0.00 H new ATOM 0 HA VAL A 74 8.393 14.316 -18.877 1.00 0.00 H new ATOM 0 HB VAL A 74 9.151 11.655 -17.704 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.688 13.044 -15.689 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.649 13.534 -17.104 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.247 14.507 -16.601 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.449 12.141 -15.934 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.926 13.573 -16.852 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.700 11.945 -17.536 1.00 0.00 H new ATOM 866 N TYR A 75 10.710 14.254 -19.898 1.00 0.00 N ATOM 867 CA TYR A 75 11.983 14.313 -20.622 1.00 0.00 C ATOM 868 C TYR A 75 13.018 15.071 -19.785 1.00 0.00 C ATOM 869 O TYR A 75 12.875 16.274 -19.556 1.00 0.00 O ATOM 870 CB TYR A 75 11.762 14.959 -21.997 1.00 0.00 C ATOM 871 CG TYR A 75 13.040 15.121 -22.798 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.513 14.060 -23.594 1.00 0.00 C ATOM 873 CD2 TYR A 75 13.772 16.323 -22.721 1.00 0.00 C ATOM 874 CE1 TYR A 75 14.722 14.195 -24.307 1.00 0.00 C ATOM 875 CE2 TYR A 75 14.980 16.462 -23.432 1.00 0.00 C ATOM 876 CZ TYR A 75 15.460 15.397 -24.225 1.00 0.00 C ATOM 877 OH TYR A 75 16.634 15.539 -24.903 1.00 0.00 O ATOM 0 H TYR A 75 10.423 15.155 -19.516 1.00 0.00 H new ATOM 0 HA TYR A 75 12.370 13.308 -20.788 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.059 14.351 -22.567 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.301 15.937 -21.861 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.949 13.141 -23.658 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.406 17.139 -22.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.084 13.380 -24.916 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.539 17.384 -23.371 1.00 0.00 H new ATOM 0 HH TYR A 75 17.005 16.430 -24.732 1.00 0.00 H new ATOM 887 N CYS A 76 14.055 14.375 -19.308 1.00 0.00 N ATOM 888 CA CYS A 76 14.971 14.945 -18.316 1.00 0.00 C ATOM 889 C CYS A 76 15.986 15.951 -18.887 1.00 0.00 C ATOM 890 O CYS A 76 16.431 16.834 -18.157 1.00 0.00 O ATOM 891 CB CYS A 76 15.667 13.813 -17.548 1.00 0.00 C ATOM 892 SG CYS A 76 16.808 12.891 -18.624 1.00 0.00 S ATOM 0 H CYS A 76 14.280 13.421 -19.591 1.00 0.00 H new ATOM 0 HA CYS A 76 14.361 15.536 -17.632 1.00 0.00 H new ATOM 0 HB2 CYS A 76 16.216 14.228 -16.702 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.919 13.133 -17.140 1.00 0.00 H new ATOM 0 HG CYS A 76 17.671 12.250 -17.893 1.00 0.00 H new ATOM 898 N GLY A 77 16.387 15.823 -20.158 1.00 0.00 N ATOM 899 CA GLY A 77 17.456 16.643 -20.745 1.00 0.00 C ATOM 900 C GLY A 77 18.729 16.642 -19.880 1.00 0.00 C ATOM 901 O GLY A 77 19.262 15.581 -19.544 1.00 0.00 O ATOM 0 H GLY A 77 15.981 15.150 -20.808 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.695 16.268 -21.740 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.102 17.667 -20.866 1.00 0.00 H new ATOM 905 N GLY A 78 19.188 17.836 -19.487 1.00 0.00 N ATOM 906 CA GLY A 78 20.344 18.057 -18.604 1.00 0.00 C ATOM 907 C GLY A 78 20.053 18.064 -17.090 1.00 0.00 C ATOM 908 O GLY A 78 20.908 18.507 -16.321 1.00 0.00 O ATOM 0 H GLY A 78 18.750 18.708 -19.785 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.083 17.282 -18.807 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.800 19.011 -18.869 1.00 0.00 H new ATOM 912 N ASP A 79 18.868 17.632 -16.639 1.00 0.00 N ATOM 913 CA ASP A 79 18.488 17.605 -15.216 1.00 0.00 C ATOM 914 C ASP A 79 19.367 16.666 -14.368 1.00 0.00 C ATOM 915 O ASP A 79 19.953 15.708 -14.872 1.00 0.00 O ATOM 916 CB ASP A 79 17.020 17.180 -15.090 1.00 0.00 C ATOM 917 CG ASP A 79 16.472 17.358 -13.673 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.134 18.505 -13.302 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.428 16.350 -12.936 1.00 0.00 O ATOM 0 H ASP A 79 18.135 17.286 -17.258 1.00 0.00 H new ATOM 0 HA ASP A 79 18.638 18.613 -14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.416 17.764 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.922 16.135 -15.384 1.00 0.00 H new ATOM 924 N LEU A 80 19.383 16.892 -13.052 1.00 0.00 N ATOM 925 CA LEU A 80 20.006 16.032 -12.042 1.00 0.00 C ATOM 926 C LEU A 80 19.619 14.542 -12.179 1.00 0.00 C ATOM 927 O LEU A 80 20.477 13.674 -12.007 1.00 0.00 O ATOM 928 CB LEU A 80 19.595 16.564 -10.654 1.00 0.00 C ATOM 929 CG LEU A 80 20.494 17.686 -10.095 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.475 18.966 -10.935 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.042 18.055 -8.682 1.00 0.00 C ATOM 0 H LEU A 80 18.943 17.716 -12.643 1.00 0.00 H new ATOM 0 HA LEU A 80 21.086 16.069 -12.182 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.571 16.934 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.595 15.733 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 80 21.508 17.287 -10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.130 19.709 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.823 18.744 -11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.459 19.357 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.680 18.848 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.009 18.401 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.115 17.180 -8.037 1.00 0.00 H new ATOM 943 N LEU A 81 18.366 14.228 -12.541 1.00 0.00 N ATOM 944 CA LEU A 81 17.933 12.843 -12.790 1.00 0.00 C ATOM 945 C LEU A 81 18.749 12.194 -13.925 1.00 0.00 C ATOM 946 O LEU A 81 19.225 11.064 -13.795 1.00 0.00 O ATOM 947 CB LEU A 81 16.429 12.822 -13.131 1.00 0.00 C ATOM 948 CG LEU A 81 15.467 13.242 -12.006 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.026 13.203 -12.520 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.555 12.342 -10.770 1.00 0.00 C ATOM 0 H LEU A 81 17.628 14.921 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 81 18.107 12.262 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.263 13.478 -13.985 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.164 11.813 -13.448 1.00 0.00 H new ATOM 0 HG LEU A 81 15.761 14.249 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.347 13.501 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.921 13.889 -13.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.783 12.191 -12.845 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.852 12.692 -10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.309 11.317 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.567 12.375 -10.367 1.00 0.00 H new ATOM 962 N GLY A 82 18.948 12.934 -15.020 1.00 0.00 N ATOM 963 CA GLY A 82 19.764 12.516 -16.158 1.00 0.00 C ATOM 964 C GLY A 82 21.266 12.548 -15.864 1.00 0.00 C ATOM 965 O GLY A 82 21.976 11.639 -16.282 1.00 0.00 O ATOM 0 H GLY A 82 18.536 13.860 -15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.479 11.505 -16.450 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.552 13.165 -17.007 1.00 0.00 H new ATOM 969 N GLU A 83 21.771 13.516 -15.094 1.00 0.00 N ATOM 970 CA GLU A 83 23.203 13.577 -14.759 1.00 0.00 C ATOM 971 C GLU A 83 23.629 12.436 -13.813 1.00 0.00 C ATOM 972 O GLU A 83 24.765 11.961 -13.902 1.00 0.00 O ATOM 973 CB GLU A 83 23.589 14.991 -14.278 1.00 0.00 C ATOM 974 CG GLU A 83 23.618 15.233 -12.761 1.00 0.00 C ATOM 975 CD GLU A 83 24.987 14.921 -12.118 1.00 0.00 C ATOM 976 OE1 GLU A 83 26.003 15.562 -12.488 1.00 0.00 O ATOM 977 OE2 GLU A 83 25.058 14.067 -11.201 1.00 0.00 O ATOM 0 H GLU A 83 21.213 14.268 -14.690 1.00 0.00 H new ATOM 0 HA GLU A 83 23.783 13.401 -15.665 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.576 15.226 -14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 83 22.890 15.701 -14.720 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.359 16.273 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.853 14.617 -12.287 1.00 0.00 H new ATOM 984 N LEU A 84 22.706 11.933 -12.977 1.00 0.00 N ATOM 985 CA LEU A 84 22.911 10.756 -12.137 1.00 0.00 C ATOM 986 C LEU A 84 22.736 9.430 -12.914 1.00 0.00 C ATOM 987 O LEU A 84 23.640 8.593 -12.901 1.00 0.00 O ATOM 988 CB LEU A 84 21.973 10.892 -10.923 1.00 0.00 C ATOM 989 CG LEU A 84 21.900 9.645 -10.034 1.00 0.00 C ATOM 990 CD1 LEU A 84 23.248 9.226 -9.445 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.945 9.888 -8.870 1.00 0.00 C ATOM 0 H LEU A 84 21.780 12.346 -12.869 1.00 0.00 H new ATOM 0 HA LEU A 84 23.944 10.712 -11.791 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.303 11.736 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.970 11.128 -11.279 1.00 0.00 H new ATOM 0 HG LEU A 84 21.553 8.844 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.115 8.337 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.946 9.006 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.645 10.036 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.900 8.997 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.301 10.730 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.950 10.111 -9.256 1.00 0.00 H new ATOM 1003 N LEU A 85 21.594 9.220 -13.589 1.00 0.00 N ATOM 1004 CA LEU A 85 21.239 7.935 -14.226 1.00 0.00 C ATOM 1005 C LEU A 85 21.747 7.814 -15.684 1.00 0.00 C ATOM 1006 O LEU A 85 21.573 6.782 -16.330 1.00 0.00 O ATOM 1007 CB LEU A 85 19.700 7.778 -14.119 1.00 0.00 C ATOM 1008 CG LEU A 85 19.097 6.396 -13.784 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.420 5.285 -14.776 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.513 5.926 -12.390 1.00 0.00 C ATOM 0 H LEU A 85 20.883 9.941 -13.711 1.00 0.00 H new ATOM 0 HA LEU A 85 21.740 7.119 -13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.352 8.479 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.272 8.099 -15.069 1.00 0.00 H new ATOM 0 HG LEU A 85 18.022 6.570 -13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.950 4.357 -14.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.042 5.556 -15.762 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.500 5.146 -14.828 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.071 4.951 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.599 5.849 -12.341 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.166 6.643 -11.646 1.00 0.00 H new ATOM 1022 N GLY A 86 22.302 8.883 -16.258 1.00 0.00 N ATOM 1023 CA GLY A 86 22.635 9.012 -17.686 1.00 0.00 C ATOM 1024 C GLY A 86 21.423 9.397 -18.554 1.00 0.00 C ATOM 1025 O GLY A 86 21.580 10.053 -19.587 1.00 0.00 O ATOM 0 H GLY A 86 22.543 9.718 -15.724 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.414 9.765 -17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.046 8.068 -18.044 1.00 0.00 H new ATOM 1029 N ARG A 87 20.213 9.006 -18.120 1.00 0.00 N ATOM 1030 CA ARG A 87 18.906 9.233 -18.767 1.00 0.00 C ATOM 1031 C ARG A 87 17.744 8.993 -17.793 1.00 0.00 C ATOM 1032 O ARG A 87 17.775 8.028 -17.040 1.00 0.00 O ATOM 1033 CB ARG A 87 18.764 8.313 -20.008 1.00 0.00 C ATOM 1034 CG ARG A 87 18.562 6.798 -19.771 1.00 0.00 C ATOM 1035 CD ARG A 87 19.593 6.150 -18.833 1.00 0.00 C ATOM 1036 NE ARG A 87 19.460 4.682 -18.791 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.318 3.828 -18.259 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.351 4.217 -17.565 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.149 2.546 -18.413 1.00 0.00 N ATOM 0 H ARG A 87 20.113 8.487 -17.248 1.00 0.00 H new ATOM 0 HA ARG A 87 18.863 10.276 -19.082 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.920 8.674 -20.596 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.657 8.439 -20.621 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.566 6.639 -19.359 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.595 6.286 -20.733 1.00 0.00 H new ATOM 0 HD2 ARG A 87 20.598 6.413 -19.163 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.472 6.553 -17.828 1.00 0.00 H new ATOM 0 HE ARG A 87 18.621 4.285 -19.215 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.520 5.212 -17.416 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.990 3.526 -17.171 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.352 2.197 -18.946 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.813 1.891 -18.001 1.00 0.00 H new ATOM 1053 N GLN A 88 16.714 9.834 -17.823 1.00 0.00 N ATOM 1054 CA GLN A 88 15.430 9.619 -17.134 1.00 0.00 C ATOM 1055 C GLN A 88 14.283 10.239 -17.954 1.00 0.00 C ATOM 1056 O GLN A 88 13.518 11.069 -17.462 1.00 0.00 O ATOM 1057 CB GLN A 88 15.427 10.096 -15.662 1.00 0.00 C ATOM 1058 CG GLN A 88 16.238 9.199 -14.704 1.00 0.00 C ATOM 1059 CD GLN A 88 15.729 9.157 -13.258 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.578 9.417 -12.939 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.567 8.783 -12.315 1.00 0.00 N ATOM 0 H GLN A 88 16.743 10.712 -18.341 1.00 0.00 H new ATOM 0 HA GLN A 88 15.273 8.542 -17.073 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.827 11.109 -15.619 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.397 10.146 -15.310 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.243 8.183 -15.100 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.272 9.543 -14.698 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.534 8.560 -12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.250 8.716 -11.348 1.00 0.00 H new ATOM 1070 N SER A 89 14.177 9.839 -19.226 1.00 0.00 N ATOM 1071 CA SER A 89 13.008 10.163 -20.067 1.00 0.00 C ATOM 1072 C SER A 89 12.123 8.925 -20.223 1.00 0.00 C ATOM 1073 O SER A 89 12.606 7.827 -20.514 1.00 0.00 O ATOM 1074 CB SER A 89 13.375 10.762 -21.421 1.00 0.00 C ATOM 1075 OG SER A 89 14.346 11.788 -21.252 1.00 0.00 O ATOM 0 H SER A 89 14.889 9.286 -19.703 1.00 0.00 H new ATOM 0 HA SER A 89 12.450 10.945 -19.551 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.766 9.985 -22.078 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.485 11.168 -21.902 1.00 0.00 H new ATOM 0 HG SER A 89 14.183 12.503 -21.902 1.00 0.00 H new ATOM 1081 N PHE A 90 10.829 9.108 -19.986 1.00 0.00 N ATOM 1082 CA PHE A 90 9.824 8.045 -19.832 1.00 0.00 C ATOM 1083 C PHE A 90 8.409 8.608 -19.858 1.00 0.00 C ATOM 1084 O PHE A 90 8.207 9.821 -19.900 1.00 0.00 O ATOM 1085 CB PHE A 90 10.061 7.355 -18.468 1.00 0.00 C ATOM 1086 CG PHE A 90 9.856 8.287 -17.283 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.919 9.080 -16.815 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.590 8.405 -16.681 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.722 9.992 -15.765 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.382 9.334 -15.648 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.449 10.126 -15.188 1.00 0.00 C ATOM 0 H PHE A 90 10.427 10.040 -19.890 1.00 0.00 H new ATOM 0 HA PHE A 90 9.925 7.342 -20.659 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.385 6.505 -18.375 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.076 6.959 -18.440 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.895 8.987 -17.267 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.775 7.779 -17.014 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.547 10.588 -15.403 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.402 9.440 -15.207 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.289 10.837 -14.391 1.00 0.00 H new ATOM 1101 N SER A 91 7.419 7.719 -19.787 1.00 0.00 N ATOM 1102 CA SER A 91 6.021 8.113 -19.677 1.00 0.00 C ATOM 1103 C SER A 91 5.323 7.572 -18.437 1.00 0.00 C ATOM 1104 O SER A 91 5.562 6.447 -17.994 1.00 0.00 O ATOM 1105 CB SER A 91 5.279 7.772 -20.954 1.00 0.00 C ATOM 1106 OG SER A 91 5.092 6.376 -21.120 1.00 0.00 O ATOM 0 H SER A 91 7.566 6.710 -19.804 1.00 0.00 H new ATOM 0 HA SER A 91 6.006 9.195 -19.545 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.308 8.267 -20.949 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.832 8.165 -21.807 1.00 0.00 H new ATOM 0 HG SER A 91 4.608 6.208 -21.955 1.00 0.00 H new ATOM 1112 N VAL A 92 4.435 8.386 -17.862 1.00 0.00 N ATOM 1113 CA VAL A 92 3.787 8.068 -16.577 1.00 0.00 C ATOM 1114 C VAL A 92 2.757 6.930 -16.661 1.00 0.00 C ATOM 1115 O VAL A 92 2.390 6.344 -15.641 1.00 0.00 O ATOM 1116 CB VAL A 92 3.188 9.315 -15.903 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.228 10.417 -15.680 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.060 9.909 -16.741 1.00 0.00 C ATOM 0 H VAL A 92 4.144 9.277 -18.265 1.00 0.00 H new ATOM 0 HA VAL A 92 4.592 7.697 -15.942 1.00 0.00 H new ATOM 0 HB VAL A 92 2.811 8.973 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.753 11.274 -15.202 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.026 10.040 -15.040 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.646 10.722 -16.639 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.657 10.788 -16.238 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.446 10.195 -17.720 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.270 9.168 -16.865 1.00 0.00 H new ATOM 1128 N LYS A 93 2.335 6.580 -17.884 1.00 0.00 N ATOM 1129 CA LYS A 93 1.485 5.421 -18.217 1.00 0.00 C ATOM 1130 C LYS A 93 2.227 4.071 -18.234 1.00 0.00 C ATOM 1131 O LYS A 93 1.588 3.026 -18.356 1.00 0.00 O ATOM 1132 CB LYS A 93 0.780 5.691 -19.561 1.00 0.00 C ATOM 1133 CG LYS A 93 1.763 5.864 -20.733 1.00 0.00 C ATOM 1134 CD LYS A 93 1.035 6.023 -22.072 1.00 0.00 C ATOM 1135 CE LYS A 93 2.071 6.174 -23.193 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.424 6.235 -24.533 1.00 0.00 N ATOM 0 H LYS A 93 2.588 7.122 -18.710 1.00 0.00 H new ATOM 0 HA LYS A 93 0.753 5.318 -17.416 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.102 4.866 -19.781 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.170 6.590 -19.471 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.390 6.738 -20.555 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.426 5.000 -20.781 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.401 5.157 -22.260 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.382 6.895 -22.044 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.656 7.079 -23.029 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.766 5.335 -23.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.154 6.337 -25.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.886 5.360 -24.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.779 7.050 -24.570 1.00 0.00 H new ATOM 1150 N ASP A 94 3.556 4.086 -18.119 1.00 0.00 N ATOM 1151 CA ASP A 94 4.443 2.917 -18.171 1.00 0.00 C ATOM 1152 C ASP A 94 5.232 2.775 -16.846 1.00 0.00 C ATOM 1153 O ASP A 94 6.393 3.185 -16.761 1.00 0.00 O ATOM 1154 CB ASP A 94 5.324 3.025 -19.430 1.00 0.00 C ATOM 1155 CG ASP A 94 6.056 1.715 -19.778 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.776 0.654 -19.169 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.887 1.733 -20.719 1.00 0.00 O ATOM 0 H ASP A 94 4.071 4.956 -17.980 1.00 0.00 H new ATOM 0 HA ASP A 94 3.873 1.992 -18.259 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.702 3.321 -20.275 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.060 3.816 -19.283 1.00 0.00 H new ATOM 1162 N PRO A 95 4.602 2.251 -15.772 1.00 0.00 N ATOM 1163 CA PRO A 95 5.158 2.263 -14.415 1.00 0.00 C ATOM 1164 C PRO A 95 6.389 1.368 -14.202 1.00 0.00 C ATOM 1165 O PRO A 95 7.210 1.691 -13.347 1.00 0.00 O ATOM 1166 CB PRO A 95 4.001 1.853 -13.495 1.00 0.00 C ATOM 1167 CG PRO A 95 3.093 1.027 -14.403 1.00 0.00 C ATOM 1168 CD PRO A 95 3.235 1.753 -15.738 1.00 0.00 C ATOM 0 HA PRO A 95 5.544 3.259 -14.198 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.353 1.270 -12.644 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.481 2.723 -13.093 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.416 -0.012 -14.467 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.062 1.019 -14.051 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.043 1.079 -16.573 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.518 2.570 -15.817 1.00 0.00 H new ATOM 1176 N SER A 96 6.569 0.276 -14.954 1.00 0.00 N ATOM 1177 CA SER A 96 7.705 -0.648 -14.756 1.00 0.00 C ATOM 1178 C SER A 96 9.084 0.021 -14.914 1.00 0.00 C ATOM 1179 O SER A 96 9.873 -0.038 -13.965 1.00 0.00 O ATOM 1180 CB SER A 96 7.608 -1.874 -15.670 1.00 0.00 C ATOM 1181 OG SER A 96 6.425 -2.609 -15.386 1.00 0.00 O ATOM 0 H SER A 96 5.941 0.005 -15.711 1.00 0.00 H new ATOM 0 HA SER A 96 7.627 -0.971 -13.718 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.607 -1.559 -16.713 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.482 -2.510 -15.530 1.00 0.00 H new ATOM 0 HG SER A 96 6.374 -3.389 -15.978 1.00 0.00 H new ATOM 1187 N PRO A 97 9.400 0.709 -16.035 1.00 0.00 N ATOM 1188 CA PRO A 97 10.649 1.462 -16.151 1.00 0.00 C ATOM 1189 C PRO A 97 10.706 2.664 -15.191 1.00 0.00 C ATOM 1190 O PRO A 97 11.786 3.028 -14.727 1.00 0.00 O ATOM 1191 CB PRO A 97 10.732 1.907 -17.617 1.00 0.00 C ATOM 1192 CG PRO A 97 9.271 1.950 -18.064 1.00 0.00 C ATOM 1193 CD PRO A 97 8.664 0.784 -17.292 1.00 0.00 C ATOM 0 HA PRO A 97 11.500 0.842 -15.869 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.209 2.882 -17.713 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.314 1.207 -18.216 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.795 2.898 -17.811 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.171 1.821 -19.142 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.601 0.946 -17.113 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.755 -0.146 -17.854 1.00 0.00 H new ATOM 1201 N LEU A 98 9.550 3.246 -14.842 1.00 0.00 N ATOM 1202 CA LEU A 98 9.423 4.344 -13.875 1.00 0.00 C ATOM 1203 C LEU A 98 9.974 3.923 -12.501 1.00 0.00 C ATOM 1204 O LEU A 98 10.890 4.553 -11.967 1.00 0.00 O ATOM 1205 CB LEU A 98 7.947 4.794 -13.825 1.00 0.00 C ATOM 1206 CG LEU A 98 7.753 6.314 -13.736 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.268 6.640 -13.886 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.250 6.908 -12.424 1.00 0.00 C ATOM 0 H LEU A 98 8.654 2.958 -15.235 1.00 0.00 H new ATOM 0 HA LEU A 98 10.022 5.199 -14.188 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.437 4.426 -14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.466 4.327 -12.966 1.00 0.00 H new ATOM 0 HG LEU A 98 8.344 6.755 -14.539 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.124 7.719 -13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.913 6.282 -14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.706 6.152 -13.089 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.083 7.985 -12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.707 6.458 -11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.315 6.706 -12.314 1.00 0.00 H new ATOM 1220 N TYR A 99 9.491 2.792 -11.982 1.00 0.00 N ATOM 1221 CA TYR A 99 9.979 2.189 -10.744 1.00 0.00 C ATOM 1222 C TYR A 99 11.422 1.676 -10.844 1.00 0.00 C ATOM 1223 O TYR A 99 12.125 1.723 -9.842 1.00 0.00 O ATOM 1224 CB TYR A 99 9.007 1.101 -10.263 1.00 0.00 C ATOM 1225 CG TYR A 99 7.892 1.653 -9.390 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.141 1.898 -8.024 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.624 1.944 -9.931 1.00 0.00 C ATOM 1228 CE1 TYR A 99 7.128 2.420 -7.197 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.608 2.471 -9.109 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.855 2.705 -7.738 1.00 0.00 C ATOM 1231 OH TYR A 99 4.861 3.200 -6.948 1.00 0.00 O ATOM 0 H TYR A 99 8.737 2.262 -12.419 1.00 0.00 H new ATOM 0 HA TYR A 99 10.012 2.978 -9.993 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.571 0.601 -11.128 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.561 0.347 -9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.115 1.684 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.430 1.763 -10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 99 7.324 2.602 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.638 2.696 -9.528 1.00 0.00 H new ATOM 0 HH TYR A 99 4.054 3.338 -7.486 1.00 0.00 H new ATOM 1241 N ASP A 100 11.917 1.252 -12.013 1.00 0.00 N ATOM 1242 CA ASP A 100 13.330 0.865 -12.175 1.00 0.00 C ATOM 1243 C ASP A 100 14.293 2.033 -11.897 1.00 0.00 C ATOM 1244 O ASP A 100 15.208 1.908 -11.081 1.00 0.00 O ATOM 1245 CB ASP A 100 13.571 0.307 -13.581 1.00 0.00 C ATOM 1246 CG ASP A 100 14.981 -0.295 -13.693 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.176 -1.469 -13.300 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.911 0.408 -14.156 1.00 0.00 O ATOM 0 H ASP A 100 11.361 1.167 -12.864 1.00 0.00 H new ATOM 0 HA ASP A 100 13.537 0.091 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.826 -0.455 -13.808 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.449 1.101 -14.318 1.00 0.00 H new ATOM 1253 N MET A 101 14.052 3.191 -12.522 1.00 0.00 N ATOM 1254 CA MET A 101 14.830 4.418 -12.269 1.00 0.00 C ATOM 1255 C MET A 101 14.626 4.930 -10.841 1.00 0.00 C ATOM 1256 O MET A 101 15.590 5.309 -10.179 1.00 0.00 O ATOM 1257 CB MET A 101 14.421 5.540 -13.226 1.00 0.00 C ATOM 1258 CG MET A 101 14.593 5.206 -14.712 1.00 0.00 C ATOM 1259 SD MET A 101 13.870 6.440 -15.830 1.00 0.00 S ATOM 1260 CE MET A 101 12.186 6.474 -15.161 1.00 0.00 C ATOM 0 H MET A 101 13.315 3.308 -13.217 1.00 0.00 H new ATOM 0 HA MET A 101 15.876 4.152 -12.422 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.377 5.793 -13.043 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.010 6.428 -12.996 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.656 5.109 -14.932 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.136 4.237 -14.912 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.468 6.432 -15.980 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.038 5.617 -14.504 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.038 7.394 -14.596 1.00 0.00 H new ATOM 1270 N LEU A 102 13.384 4.930 -10.343 1.00 0.00 N ATOM 1271 CA LEU A 102 13.081 5.413 -8.999 1.00 0.00 C ATOM 1272 C LEU A 102 13.706 4.534 -7.920 1.00 0.00 C ATOM 1273 O LEU A 102 14.346 5.094 -7.048 1.00 0.00 O ATOM 1274 CB LEU A 102 11.570 5.617 -8.801 1.00 0.00 C ATOM 1275 CG LEU A 102 10.989 6.839 -9.543 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.501 6.938 -9.216 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.644 8.151 -9.103 1.00 0.00 C ATOM 0 H LEU A 102 12.569 4.597 -10.859 1.00 0.00 H new ATOM 0 HA LEU A 102 13.544 6.394 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.048 4.721 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.367 5.724 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 102 11.174 6.698 -10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.071 7.797 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.996 6.029 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.372 7.059 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.201 8.981 -9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.484 8.297 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.714 8.110 -9.307 1.00 0.00 H new ATOM 1289 N ARG A 103 13.687 3.201 -8.012 1.00 0.00 N ATOM 1290 CA ARG A 103 14.405 2.311 -7.066 1.00 0.00 C ATOM 1291 C ARG A 103 15.910 2.605 -6.966 1.00 0.00 C ATOM 1292 O ARG A 103 16.513 2.398 -5.912 1.00 0.00 O ATOM 1293 CB ARG A 103 14.195 0.843 -7.452 1.00 0.00 C ATOM 1294 CG ARG A 103 12.816 0.349 -7.003 1.00 0.00 C ATOM 1295 CD ARG A 103 12.596 -1.071 -7.516 1.00 0.00 C ATOM 1296 NE ARG A 103 13.510 -2.035 -6.862 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.108 -3.083 -7.402 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.941 -3.418 -8.650 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.895 -3.830 -6.682 1.00 0.00 N ATOM 0 H ARG A 103 13.177 2.699 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 103 13.978 2.510 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.292 0.730 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.971 0.229 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.746 0.370 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.038 1.010 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.563 -1.368 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.750 -1.097 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 103 13.702 -1.870 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.330 -2.864 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.421 -4.235 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.051 -3.607 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.355 -4.638 -7.101 1.00 0.00 H new ATOM 1313 N LYS A 104 16.506 3.117 -8.051 1.00 0.00 N ATOM 1314 CA LYS A 104 17.912 3.558 -8.129 1.00 0.00 C ATOM 1315 C LYS A 104 18.137 4.982 -7.592 1.00 0.00 C ATOM 1316 O LYS A 104 19.276 5.331 -7.283 1.00 0.00 O ATOM 1317 CB LYS A 104 18.403 3.400 -9.582 1.00 0.00 C ATOM 1318 CG LYS A 104 18.471 1.917 -9.987 1.00 0.00 C ATOM 1319 CD LYS A 104 18.624 1.727 -11.501 1.00 0.00 C ATOM 1320 CE LYS A 104 18.613 0.223 -11.804 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.516 -0.055 -13.261 1.00 0.00 N ATOM 0 H LYS A 104 16.008 3.241 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 104 18.505 2.921 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.732 3.933 -10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.388 3.854 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.310 1.443 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.567 1.410 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.812 2.226 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.554 2.177 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.521 -0.232 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.773 -0.243 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.877 -1.011 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.522 0.008 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.081 0.643 -13.786 1.00 0.00 H new ATOM 1335 N ASN A 105 17.079 5.794 -7.458 1.00 0.00 N ATOM 1336 CA ASN A 105 17.168 7.224 -7.104 1.00 0.00 C ATOM 1337 C ASN A 105 16.418 7.635 -5.804 1.00 0.00 C ATOM 1338 O ASN A 105 16.638 8.728 -5.287 1.00 0.00 O ATOM 1339 CB ASN A 105 16.669 8.004 -8.345 1.00 0.00 C ATOM 1340 CG ASN A 105 17.376 9.320 -8.597 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.584 9.707 -9.732 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.768 10.047 -7.579 1.00 0.00 N ATOM 0 H ASN A 105 16.120 5.474 -7.594 1.00 0.00 H new ATOM 0 HA ASN A 105 18.202 7.465 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.785 7.371 -9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.602 8.197 -8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.246 10.934 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.595 9.726 -6.626 1.00 0.00 H new ATOM 1349 N LEU A 106 15.532 6.781 -5.298 1.00 0.00 N ATOM 1350 CA LEU A 106 14.572 6.943 -4.199 1.00 0.00 C ATOM 1351 C LEU A 106 14.343 5.566 -3.538 1.00 0.00 C ATOM 1352 O LEU A 106 14.211 4.556 -4.227 1.00 0.00 O ATOM 1353 CB LEU A 106 13.265 7.492 -4.825 1.00 0.00 C ATOM 1354 CG LEU A 106 11.990 7.483 -3.960 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.115 8.392 -2.740 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.810 7.977 -4.798 1.00 0.00 C ATOM 0 H LEU A 106 15.458 5.844 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 106 14.930 7.629 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.450 8.520 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.060 6.917 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 106 11.837 6.460 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.192 8.353 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.947 8.057 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.295 9.416 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.905 7.973 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.009 8.991 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.673 7.320 -5.657 1.00 0.00 H new