USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 940 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 48 TYR OH : rot 31:sc= 1.2 USER MOD Set 1.2: B 38 ASN : amide:sc= 1.06 K(o=2.3,f=-1.6) USER MOD Set 2.1: B 11 LYS NZ :NH3+ -166:sc= 0.45 (180deg=-1.52!) USER MOD Set 2.2: B 53 GLN : amide:sc= -1.23! C(o=-0.78!,f=-11!) USER MOD Set 3.1: A 38 ASN : amide:sc= 1.1 K(o=3.1,f=-0.9) USER MOD Set 3.2: B 48 TYR OH : rot 54:sc= 1.98 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 18 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.046) USER MOD Single : A 20 THR OG1 : rot 65:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0203) USER MOD Single : A 24 MET CE :methyl -169:sc= 0 (180deg=-0.00518) USER MOD Single : A 27 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.7!) USER MOD Single : A 35 THR OG1 : rot -128:sc= 0.284 USER MOD Single : A 41 MET CE :methyl -173:sc= -0.961 (180deg=-1.07) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 1.32 (180deg=1.12) USER MOD Single : A 47 THR OG1 : rot 90:sc= 0.672 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0568 K(o=-0.057,f=-0.56) USER MOD Single : A 59 LYS NZ :NH3+ -118:sc= -1.68 (180deg=-3.38!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0625) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 THR OG1 : rot 78:sc= 1.29 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -164:sc= -0.109 (180deg=-0.607) USER MOD Single : B 27 HIS : no HE2:sc= 0.802 K(o=0.8,f=-4.4!) USER MOD Single : B 35 THR OG1 : rot -176:sc= 1.07 USER MOD Single : B 41 MET CE :methyl -171:sc= -0.903 (180deg=-1.09) USER MOD Single : B 46 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.2) USER MOD Single : B 47 THR OG1 : rot 95:sc= 0.0438 USER MOD Single : B 51 TYR OH : rot 180:sc= -0.314 USER MOD Single : B 59 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.29) USER MOD Single : B 60 SER OG : rot 66:sc= 1.23 USER MOD Single : B 61 THR OG1 : rot 180:sc= -0.126 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 29.462 -9.819 -13.700 1.00 0.00 N ATOM 54 CA ALA A 5 28.558 -10.746 -13.035 1.00 0.00 C ATOM 55 C ALA A 5 28.650 -10.610 -11.519 1.00 0.00 C ATOM 56 O ALA A 5 27.692 -10.895 -10.804 1.00 0.00 O ATOM 57 CB ALA A 5 28.865 -12.172 -13.459 1.00 0.00 C ATOM 0 HA ALA A 5 27.539 -10.501 -13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 5 28.182 -12.856 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 5 28.742 -12.265 -14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 5 29.892 -12.419 -13.189 1.00 0.00 H new ATOM 63 N GLU A 6 29.805 -10.167 -11.040 1.00 0.00 N ATOM 64 CA GLU A 6 30.012 -9.961 -9.610 1.00 0.00 C ATOM 65 C GLU A 6 29.056 -8.905 -9.082 1.00 0.00 C ATOM 66 O GLU A 6 28.360 -9.116 -8.084 1.00 0.00 O ATOM 67 CB GLU A 6 31.447 -9.521 -9.341 1.00 0.00 C ATOM 68 CG GLU A 6 32.487 -10.465 -9.903 1.00 0.00 C ATOM 69 CD GLU A 6 33.893 -9.990 -9.625 1.00 0.00 C ATOM 70 OE1 GLU A 6 34.413 -9.175 -10.413 1.00 0.00 O ATOM 71 OE2 GLU A 6 34.479 -10.415 -8.612 1.00 0.00 O ATOM 0 H GLU A 6 30.614 -9.943 -11.620 1.00 0.00 H new ATOM 0 HA GLU A 6 29.822 -10.905 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.600 -8.530 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.595 -9.431 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.347 -11.456 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.344 -10.563 -10.979 1.00 0.00 H new ATOM 78 N GLU A 7 29.035 -7.771 -9.762 1.00 0.00 N ATOM 79 CA GLU A 7 28.155 -6.674 -9.397 1.00 0.00 C ATOM 80 C GLU A 7 26.708 -7.081 -9.598 1.00 0.00 C ATOM 81 O GLU A 7 25.841 -6.734 -8.808 1.00 0.00 O ATOM 82 CB GLU A 7 28.461 -5.439 -10.237 1.00 0.00 C ATOM 83 CG GLU A 7 27.719 -4.196 -9.771 1.00 0.00 C ATOM 84 CD GLU A 7 27.997 -2.990 -10.634 1.00 0.00 C ATOM 85 OE1 GLU A 7 27.412 -2.893 -11.735 1.00 0.00 O ATOM 86 OE2 GLU A 7 28.794 -2.127 -10.215 1.00 0.00 O ATOM 0 H GLU A 7 29.622 -7.586 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 7 28.321 -6.434 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.533 -5.246 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.201 -5.641 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.648 -4.397 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.002 -3.974 -8.742 1.00 0.00 H new ATOM 93 N LEU A 8 26.471 -7.824 -10.665 1.00 0.00 N ATOM 94 CA LEU A 8 25.147 -8.330 -10.988 1.00 0.00 C ATOM 95 C LEU A 8 24.597 -9.148 -9.821 1.00 0.00 C ATOM 96 O LEU A 8 23.490 -8.906 -9.337 1.00 0.00 O ATOM 97 CB LEU A 8 25.240 -9.189 -12.251 1.00 0.00 C ATOM 98 CG LEU A 8 23.957 -9.307 -13.071 1.00 0.00 C ATOM 99 CD1 LEU A 8 24.270 -9.821 -14.467 1.00 0.00 C ATOM 100 CD2 LEU A 8 22.950 -10.225 -12.391 1.00 0.00 C ATOM 0 H LEU A 8 27.192 -8.094 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 8 24.467 -7.497 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.021 -8.778 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.558 -10.191 -11.963 1.00 0.00 H new ATOM 0 HG LEU A 8 23.515 -8.314 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.347 -9.900 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.949 -9.129 -14.966 1.00 0.00 H new ATOM 0 HD13 LEU A 8 24.739 -10.802 -14.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.047 -10.289 -12.999 1.00 0.00 H new ATOM 0 HD22 LEU A 8 23.382 -11.219 -12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.698 -9.825 -11.409 1.00 0.00 H new ATOM 112 N LYS A 9 25.402 -10.095 -9.364 1.00 0.00 N ATOM 113 CA LYS A 9 25.029 -10.980 -8.269 1.00 0.00 C ATOM 114 C LYS A 9 24.862 -10.199 -6.971 1.00 0.00 C ATOM 115 O LYS A 9 23.908 -10.421 -6.224 1.00 0.00 O ATOM 116 CB LYS A 9 26.111 -12.048 -8.113 1.00 0.00 C ATOM 117 CG LYS A 9 25.688 -13.276 -7.326 1.00 0.00 C ATOM 118 CD LYS A 9 26.796 -14.315 -7.340 1.00 0.00 C ATOM 119 CE LYS A 9 26.371 -15.616 -6.684 1.00 0.00 C ATOM 120 NZ LYS A 9 27.449 -16.641 -6.744 1.00 0.00 N ATOM 0 H LYS A 9 26.333 -10.272 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 9 24.073 -11.451 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.435 -12.364 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.975 -11.600 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.455 -12.996 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.779 -13.697 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.095 -14.510 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.670 -13.918 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.104 -15.429 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.478 -15.998 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.122 -17.516 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.686 -16.838 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.293 -16.286 -6.250 1.00 0.00 H new ATOM 134 N ALA A 10 25.786 -9.281 -6.716 1.00 0.00 N ATOM 135 CA ALA A 10 25.738 -8.459 -5.514 1.00 0.00 C ATOM 136 C ALA A 10 24.527 -7.535 -5.536 1.00 0.00 C ATOM 137 O ALA A 10 23.901 -7.295 -4.509 1.00 0.00 O ATOM 138 CB ALA A 10 27.021 -7.653 -5.368 1.00 0.00 C ATOM 0 H ALA A 10 26.579 -9.087 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 10 25.644 -9.121 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 10 26.968 -7.045 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 10 27.871 -8.332 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.144 -7.005 -6.235 1.00 0.00 H new ATOM 144 N LYS A 11 24.193 -7.037 -6.720 1.00 0.00 N ATOM 145 CA LYS A 11 23.079 -6.117 -6.879 1.00 0.00 C ATOM 146 C LYS A 11 21.757 -6.852 -6.717 1.00 0.00 C ATOM 147 O LYS A 11 20.852 -6.372 -6.039 1.00 0.00 O ATOM 148 CB LYS A 11 23.149 -5.438 -8.246 1.00 0.00 C ATOM 149 CG LYS A 11 22.281 -4.199 -8.364 1.00 0.00 C ATOM 150 CD LYS A 11 22.562 -3.457 -9.660 1.00 0.00 C ATOM 151 CE LYS A 11 21.842 -2.122 -9.710 1.00 0.00 C ATOM 152 NZ LYS A 11 22.228 -1.331 -10.911 1.00 0.00 N ATOM 0 H LYS A 11 24.682 -7.258 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 11 23.144 -5.352 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.184 -5.165 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.849 -6.154 -9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.229 -4.483 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.466 -3.539 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 23.635 -3.296 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 11 22.250 -4.070 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.765 -2.290 -9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.071 -1.551 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.716 -0.426 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 23.252 -1.149 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.986 -1.865 -11.770 1.00 0.00 H new ATOM 166 N LEU A 12 21.651 -8.020 -7.340 1.00 0.00 N ATOM 167 CA LEU A 12 20.470 -8.857 -7.179 1.00 0.00 C ATOM 168 C LEU A 12 20.303 -9.229 -5.714 1.00 0.00 C ATOM 169 O LEU A 12 19.200 -9.180 -5.175 1.00 0.00 O ATOM 170 CB LEU A 12 20.580 -10.123 -8.036 1.00 0.00 C ATOM 171 CG LEU A 12 19.368 -11.057 -7.983 1.00 0.00 C ATOM 172 CD1 LEU A 12 18.135 -10.364 -8.543 1.00 0.00 C ATOM 173 CD2 LEU A 12 19.659 -12.339 -8.749 1.00 0.00 C ATOM 0 H LEU A 12 22.365 -8.407 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 12 19.596 -8.296 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.745 -9.827 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.462 -10.680 -7.720 1.00 0.00 H new ATOM 0 HG LEU A 12 19.170 -11.313 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.284 -11.043 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.920 -9.472 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.317 -10.079 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.790 -12.995 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.879 -12.099 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 12 20.517 -12.842 -8.303 1.00 0.00 H new ATOM 185 N LYS A 13 21.416 -9.587 -5.078 1.00 0.00 N ATOM 186 CA LYS A 13 21.432 -9.870 -3.643 1.00 0.00 C ATOM 187 C LYS A 13 20.967 -8.650 -2.848 1.00 0.00 C ATOM 188 O LYS A 13 20.105 -8.750 -1.975 1.00 0.00 O ATOM 189 CB LYS A 13 22.847 -10.266 -3.213 1.00 0.00 C ATOM 190 CG LYS A 13 22.975 -10.638 -1.743 1.00 0.00 C ATOM 191 CD LYS A 13 24.382 -11.106 -1.417 1.00 0.00 C ATOM 192 CE LYS A 13 24.556 -11.371 0.070 1.00 0.00 C ATOM 193 NZ LYS A 13 25.908 -11.905 0.387 1.00 0.00 N ATOM 0 H LYS A 13 22.322 -9.689 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 13 20.747 -10.694 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.175 -11.110 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.524 -9.439 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 13 22.722 -9.777 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 13 22.261 -11.426 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.602 -12.015 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.100 -10.352 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.392 -10.447 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.799 -12.081 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.984 -12.072 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.056 -12.800 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.631 -11.217 0.094 1.00 0.00 H new ATOM 207 N LYS A 14 21.557 -7.506 -3.163 1.00 0.00 N ATOM 208 CA LYS A 14 21.230 -6.241 -2.512 1.00 0.00 C ATOM 209 C LYS A 14 19.733 -5.944 -2.591 1.00 0.00 C ATOM 210 O LYS A 14 19.094 -5.644 -1.580 1.00 0.00 O ATOM 211 CB LYS A 14 22.006 -5.105 -3.182 1.00 0.00 C ATOM 212 CG LYS A 14 22.026 -3.818 -2.382 1.00 0.00 C ATOM 213 CD LYS A 14 22.967 -3.924 -1.194 1.00 0.00 C ATOM 214 CE LYS A 14 24.414 -4.018 -1.644 1.00 0.00 C ATOM 215 NZ LYS A 14 25.343 -4.146 -0.495 1.00 0.00 N ATOM 0 H LYS A 14 22.279 -7.426 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 14 21.509 -6.320 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.032 -5.431 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.568 -4.906 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.337 -2.993 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.019 -3.588 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 14 22.840 -3.055 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.710 -4.802 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 14 24.534 -4.876 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.673 -3.131 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.321 -4.207 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 25.248 -3.315 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 25.113 -5.006 0.043 1.00 0.00 H new ATOM 229 N LEU A 15 19.188 -6.020 -3.798 1.00 0.00 N ATOM 230 CA LEU A 15 17.772 -5.751 -4.026 1.00 0.00 C ATOM 231 C LEU A 15 16.900 -6.813 -3.365 1.00 0.00 C ATOM 232 O LEU A 15 15.831 -6.510 -2.835 1.00 0.00 O ATOM 233 CB LEU A 15 17.475 -5.684 -5.530 1.00 0.00 C ATOM 234 CG LEU A 15 17.634 -4.302 -6.182 1.00 0.00 C ATOM 235 CD1 LEU A 15 16.722 -3.285 -5.519 1.00 0.00 C ATOM 236 CD2 LEU A 15 19.078 -3.828 -6.125 1.00 0.00 C ATOM 0 H LEU A 15 19.708 -6.267 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 15 17.536 -4.787 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.134 -6.385 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.454 -6.027 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 15 17.348 -4.397 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.852 -2.314 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.685 -3.605 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.974 -3.205 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.158 -2.847 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.398 -3.760 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.715 -4.537 -6.655 1.00 0.00 H new ATOM 248 N ASN A 16 17.373 -8.052 -3.398 1.00 0.00 N ATOM 249 CA ASN A 16 16.660 -9.173 -2.795 1.00 0.00 C ATOM 250 C ASN A 16 16.501 -8.963 -1.295 1.00 0.00 C ATOM 251 O ASN A 16 15.408 -9.120 -0.745 1.00 0.00 O ATOM 252 CB ASN A 16 17.417 -10.477 -3.061 1.00 0.00 C ATOM 253 CG ASN A 16 16.644 -11.707 -2.637 1.00 0.00 C ATOM 254 OD1 ASN A 16 16.744 -12.157 -1.496 1.00 0.00 O ATOM 255 ND2 ASN A 16 15.876 -12.264 -3.559 1.00 0.00 N ATOM 0 H ASN A 16 18.256 -8.308 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 16 15.669 -9.235 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.646 -10.547 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.369 -10.452 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.337 -13.101 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.823 -11.857 -4.493 1.00 0.00 H new ATOM 262 N ALA A 17 17.596 -8.599 -0.643 1.00 0.00 N ATOM 263 CA ALA A 17 17.589 -8.337 0.789 1.00 0.00 C ATOM 264 C ALA A 17 16.697 -7.143 1.121 1.00 0.00 C ATOM 265 O ALA A 17 15.971 -7.157 2.118 1.00 0.00 O ATOM 266 CB ALA A 17 19.005 -8.100 1.291 1.00 0.00 C ATOM 0 H ALA A 17 18.506 -8.478 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 17 17.182 -9.213 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.983 -7.905 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.613 -8.983 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.435 -7.241 0.775 1.00 0.00 H new ATOM 272 N GLN A 18 16.745 -6.122 0.271 1.00 0.00 N ATOM 273 CA GLN A 18 15.928 -4.929 0.454 1.00 0.00 C ATOM 274 C GLN A 18 14.443 -5.276 0.382 1.00 0.00 C ATOM 275 O GLN A 18 13.661 -4.877 1.246 1.00 0.00 O ATOM 276 CB GLN A 18 16.286 -3.874 -0.598 1.00 0.00 C ATOM 277 CG GLN A 18 15.505 -2.577 -0.455 1.00 0.00 C ATOM 278 CD GLN A 18 15.976 -1.498 -1.415 1.00 0.00 C ATOM 279 OE1 GLN A 18 15.195 -0.653 -1.855 1.00 0.00 O ATOM 280 NE2 GLN A 18 17.261 -1.507 -1.738 1.00 0.00 N ATOM 0 H GLN A 18 17.344 -6.098 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 18 16.133 -4.518 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.352 -3.655 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.107 -4.288 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.447 -2.774 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.598 -2.213 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.878 -2.222 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.633 -0.798 -2.370 1.00 0.00 H new ATOM 289 N ALA A 19 14.063 -6.038 -0.640 1.00 0.00 N ATOM 290 CA ALA A 19 12.678 -6.464 -0.805 1.00 0.00 C ATOM 291 C ALA A 19 12.228 -7.311 0.383 1.00 0.00 C ATOM 292 O ALA A 19 11.088 -7.204 0.842 1.00 0.00 O ATOM 293 CB ALA A 19 12.513 -7.235 -2.108 1.00 0.00 C ATOM 0 H ALA A 19 14.696 -6.373 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 19 12.047 -5.576 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.474 -7.546 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.791 -6.596 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.156 -8.115 -2.094 1.00 0.00 H new ATOM 299 N THR A 20 13.139 -8.135 0.892 1.00 0.00 N ATOM 300 CA THR A 20 12.860 -8.969 2.051 1.00 0.00 C ATOM 301 C THR A 20 12.541 -8.104 3.274 1.00 0.00 C ATOM 302 O THR A 20 11.618 -8.400 4.038 1.00 0.00 O ATOM 303 CB THR A 20 14.056 -9.891 2.365 1.00 0.00 C ATOM 304 OG1 THR A 20 14.376 -10.687 1.214 1.00 0.00 O ATOM 305 CG2 THR A 20 13.755 -10.804 3.549 1.00 0.00 C ATOM 0 H THR A 20 14.081 -8.241 0.516 1.00 0.00 H new ATOM 0 HA THR A 20 11.993 -9.586 1.816 1.00 0.00 H new ATOM 0 HB THR A 20 14.907 -9.261 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.686 -10.105 0.489 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.617 -11.441 3.745 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.543 -10.199 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.889 -11.425 3.319 1.00 0.00 H new ATOM 313 N ALA A 21 13.300 -7.023 3.437 1.00 0.00 N ATOM 314 CA ALA A 21 13.118 -6.110 4.560 1.00 0.00 C ATOM 315 C ALA A 21 11.758 -5.421 4.500 1.00 0.00 C ATOM 316 O ALA A 21 11.021 -5.396 5.483 1.00 0.00 O ATOM 317 CB ALA A 21 14.232 -5.078 4.585 1.00 0.00 C ATOM 0 H ALA A 21 14.051 -6.758 2.800 1.00 0.00 H new ATOM 0 HA ALA A 21 13.156 -6.695 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.084 -4.403 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.193 -5.582 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.220 -4.507 3.657 1.00 0.00 H new ATOM 323 N LEU A 22 11.426 -4.872 3.336 1.00 0.00 N ATOM 324 CA LEU A 22 10.152 -4.180 3.151 1.00 0.00 C ATOM 325 C LEU A 22 8.974 -5.139 3.295 1.00 0.00 C ATOM 326 O LEU A 22 7.879 -4.736 3.692 1.00 0.00 O ATOM 327 CB LEU A 22 10.099 -3.486 1.784 1.00 0.00 C ATOM 328 CG LEU A 22 10.711 -2.077 1.724 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.027 -1.153 2.718 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.207 -2.114 1.985 1.00 0.00 C ATOM 0 H LEU A 22 12.019 -4.892 2.507 1.00 0.00 H new ATOM 0 HA LEU A 22 10.076 -3.423 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.613 -4.116 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.057 -3.423 1.470 1.00 0.00 H new ATOM 0 HG LEU A 22 10.552 -1.690 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.475 -0.161 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.965 -1.086 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.150 -1.548 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.610 -1.102 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.393 -2.531 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.692 -2.735 1.232 1.00 0.00 H new ATOM 342 N LYS A 23 9.205 -6.412 2.982 1.00 0.00 N ATOM 343 CA LYS A 23 8.164 -7.429 3.080 1.00 0.00 C ATOM 344 C LYS A 23 7.638 -7.538 4.511 1.00 0.00 C ATOM 345 O LYS A 23 6.427 -7.533 4.739 1.00 0.00 O ATOM 346 CB LYS A 23 8.694 -8.791 2.613 1.00 0.00 C ATOM 347 CG LYS A 23 7.640 -9.893 2.598 1.00 0.00 C ATOM 348 CD LYS A 23 8.191 -11.182 2.010 1.00 0.00 C ATOM 349 CE LYS A 23 7.109 -12.241 1.850 1.00 0.00 C ATOM 350 NZ LYS A 23 6.523 -12.652 3.155 1.00 0.00 N ATOM 0 H LYS A 23 10.106 -6.763 2.658 1.00 0.00 H new ATOM 0 HA LYS A 23 7.342 -7.128 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.108 -8.684 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.513 -9.094 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.289 -10.076 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.778 -9.566 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.642 -10.975 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.982 -11.566 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.319 -11.856 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.530 -13.115 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.853 -13.433 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.282 -12.965 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.024 -11.845 3.581 1.00 0.00 H new ATOM 364 N MET A 24 8.554 -7.616 5.472 1.00 0.00 N ATOM 365 CA MET A 24 8.171 -7.750 6.874 1.00 0.00 C ATOM 366 C MET A 24 7.664 -6.420 7.425 1.00 0.00 C ATOM 367 O MET A 24 6.891 -6.388 8.381 1.00 0.00 O ATOM 368 CB MET A 24 9.344 -8.258 7.724 1.00 0.00 C ATOM 369 CG MET A 24 10.510 -7.290 7.820 1.00 0.00 C ATOM 370 SD MET A 24 11.826 -7.893 8.897 1.00 0.00 S ATOM 371 CE MET A 24 12.989 -6.534 8.808 1.00 0.00 C ATOM 0 H MET A 24 9.560 -7.589 5.307 1.00 0.00 H new ATOM 0 HA MET A 24 7.366 -8.483 6.927 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.982 -8.474 8.729 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.701 -9.199 7.305 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.914 -7.113 6.823 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.151 -6.331 8.193 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.935 -6.834 9.259 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.154 -6.264 7.765 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.587 -5.675 9.346 1.00 0.00 H new ATOM 381 N ASP A 25 8.092 -5.318 6.816 1.00 0.00 N ATOM 382 CA ASP A 25 7.690 -3.993 7.276 1.00 0.00 C ATOM 383 C ASP A 25 6.216 -3.752 6.971 1.00 0.00 C ATOM 384 O ASP A 25 5.427 -3.431 7.864 1.00 0.00 O ATOM 385 CB ASP A 25 8.547 -2.911 6.619 1.00 0.00 C ATOM 386 CG ASP A 25 8.317 -1.543 7.230 1.00 0.00 C ATOM 387 OD1 ASP A 25 7.356 -0.858 6.837 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.105 -1.151 8.118 1.00 0.00 O ATOM 0 H ASP A 25 8.714 -5.316 6.007 1.00 0.00 H new ATOM 0 HA ASP A 25 7.839 -3.945 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.600 -3.177 6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.324 -2.872 5.553 1.00 0.00 H new ATOM 393 N LEU A 26 5.848 -3.950 5.708 1.00 0.00 N ATOM 394 CA LEU A 26 4.468 -3.780 5.272 1.00 0.00 C ATOM 395 C LEU A 26 3.561 -4.780 5.984 1.00 0.00 C ATOM 396 O LEU A 26 2.431 -4.458 6.343 1.00 0.00 O ATOM 397 CB LEU A 26 4.361 -3.955 3.754 1.00 0.00 C ATOM 398 CG LEU A 26 2.963 -3.738 3.169 1.00 0.00 C ATOM 399 CD1 LEU A 26 2.495 -2.311 3.414 1.00 0.00 C ATOM 400 CD2 LEU A 26 2.954 -4.059 1.683 1.00 0.00 C ATOM 0 H LEU A 26 6.491 -4.230 4.967 1.00 0.00 H new ATOM 0 HA LEU A 26 4.146 -2.771 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.050 -3.259 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.693 -4.961 3.496 1.00 0.00 H new ATOM 0 HG LEU A 26 2.270 -4.414 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.500 -2.177 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.463 -2.118 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.187 -1.615 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.953 -3.900 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.660 -3.409 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.243 -5.099 1.534 1.00 0.00 H new ATOM 412 N HIS A 27 4.081 -5.984 6.194 1.00 0.00 N ATOM 413 CA HIS A 27 3.356 -7.040 6.896 1.00 0.00 C ATOM 414 C HIS A 27 2.839 -6.552 8.247 1.00 0.00 C ATOM 415 O HIS A 27 1.651 -6.664 8.549 1.00 0.00 O ATOM 416 CB HIS A 27 4.285 -8.242 7.096 1.00 0.00 C ATOM 417 CG HIS A 27 3.726 -9.326 7.972 1.00 0.00 C ATOM 418 ND1 HIS A 27 4.001 -9.413 9.322 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.915 -10.370 7.686 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.389 -10.467 9.822 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.724 -11.063 8.852 1.00 0.00 N ATOM 0 H HIS A 27 5.014 -6.256 5.884 1.00 0.00 H new ATOM 0 HA HIS A 27 2.495 -7.331 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.522 -8.667 6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.223 -7.892 7.528 1.00 0.00 H new ATOM 0 HD1 HIS A 27 4.585 -8.764 9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.497 -10.612 6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.426 -10.789 10.852 1.00 0.00 H new ATOM 430 N ASP A 28 3.741 -6.002 9.042 1.00 0.00 N ATOM 431 CA ASP A 28 3.427 -5.608 10.410 1.00 0.00 C ATOM 432 C ASP A 28 2.434 -4.452 10.451 1.00 0.00 C ATOM 433 O ASP A 28 1.581 -4.387 11.339 1.00 0.00 O ATOM 434 CB ASP A 28 4.701 -5.225 11.158 1.00 0.00 C ATOM 435 CG ASP A 28 5.620 -6.409 11.405 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.347 -7.517 10.884 1.00 0.00 O ATOM 437 OD2 ASP A 28 6.627 -6.236 12.127 1.00 0.00 O ATOM 0 H ASP A 28 4.704 -5.816 8.763 1.00 0.00 H new ATOM 0 HA ASP A 28 2.964 -6.465 10.899 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.238 -4.468 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.434 -4.774 12.113 1.00 0.00 H new ATOM 442 N LEU A 29 2.542 -3.547 9.492 1.00 0.00 N ATOM 443 CA LEU A 29 1.656 -2.387 9.435 1.00 0.00 C ATOM 444 C LEU A 29 0.277 -2.781 8.906 1.00 0.00 C ATOM 445 O LEU A 29 -0.736 -2.205 9.297 1.00 0.00 O ATOM 446 CB LEU A 29 2.269 -1.293 8.556 1.00 0.00 C ATOM 447 CG LEU A 29 1.469 0.013 8.479 1.00 0.00 C ATOM 448 CD1 LEU A 29 1.398 0.686 9.844 1.00 0.00 C ATOM 449 CD2 LEU A 29 2.088 0.948 7.453 1.00 0.00 C ATOM 0 H LEU A 29 3.232 -3.590 8.742 1.00 0.00 H new ATOM 0 HA LEU A 29 1.536 -1.999 10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.267 -1.066 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.389 -1.686 7.546 1.00 0.00 H new ATOM 0 HG LEU A 29 0.452 -0.224 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.826 1.610 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.911 0.018 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.406 0.912 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.511 1.872 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.115 1.175 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.083 0.469 6.474 1.00 0.00 H new ATOM 461 N ALA A 30 0.248 -3.776 8.027 1.00 0.00 N ATOM 462 CA ALA A 30 -0.998 -4.233 7.425 1.00 0.00 C ATOM 463 C ALA A 30 -1.856 -4.998 8.425 1.00 0.00 C ATOM 464 O ALA A 30 -3.079 -4.857 8.434 1.00 0.00 O ATOM 465 CB ALA A 30 -0.714 -5.099 6.206 1.00 0.00 C ATOM 0 H ALA A 30 1.076 -4.283 7.715 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.556 -3.350 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.655 -5.432 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.157 -4.520 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.126 -5.967 6.505 1.00 0.00 H new ATOM 471 N GLU A 31 -1.223 -5.820 9.260 1.00 0.00 N ATOM 472 CA GLU A 31 -1.954 -6.592 10.245 1.00 0.00 C ATOM 473 C GLU A 31 -2.464 -5.695 11.369 1.00 0.00 C ATOM 474 O GLU A 31 -3.580 -5.878 11.862 1.00 0.00 O ATOM 475 CB GLU A 31 -1.079 -7.711 10.811 1.00 0.00 C ATOM 476 CG GLU A 31 0.161 -7.228 11.544 1.00 0.00 C ATOM 477 CD GLU A 31 0.765 -8.297 12.431 1.00 0.00 C ATOM 478 OE1 GLU A 31 0.369 -8.385 13.613 1.00 0.00 O ATOM 479 OE2 GLU A 31 1.640 -9.048 11.961 1.00 0.00 O ATOM 0 H GLU A 31 -0.213 -5.963 9.269 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.814 -7.042 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.678 -8.314 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.772 -8.364 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.904 -6.901 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.095 -6.359 12.151 1.00 0.00 H new ATOM 486 N ASP A 32 -1.652 -4.724 11.770 1.00 0.00 N ATOM 487 CA ASP A 32 -2.035 -3.820 12.844 1.00 0.00 C ATOM 488 C ASP A 32 -2.402 -2.451 12.282 1.00 0.00 C ATOM 489 O ASP A 32 -1.613 -1.504 12.311 1.00 0.00 O ATOM 490 CB ASP A 32 -0.926 -3.703 13.892 1.00 0.00 C ATOM 491 CG ASP A 32 -1.388 -2.972 15.138 1.00 0.00 C ATOM 492 OD1 ASP A 32 -2.014 -3.611 16.014 1.00 0.00 O ATOM 493 OD2 ASP A 32 -1.126 -1.758 15.253 1.00 0.00 O ATOM 0 H ASP A 32 -0.731 -4.544 11.370 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.913 -4.235 13.340 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.580 -4.700 14.165 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.074 -3.178 13.460 1.00 0.00 H new ATOM 498 N LEU A 33 -3.601 -2.387 11.736 1.00 0.00 N ATOM 499 CA LEU A 33 -4.153 -1.179 11.143 1.00 0.00 C ATOM 500 C LEU A 33 -4.692 -0.209 12.194 1.00 0.00 C ATOM 501 O LEU A 33 -4.715 -0.530 13.385 1.00 0.00 O ATOM 502 CB LEU A 33 -5.143 -1.511 10.026 1.00 0.00 C ATOM 503 CG LEU A 33 -4.513 -1.493 8.627 1.00 0.00 C ATOM 504 CD1 LEU A 33 -5.565 -1.704 7.557 1.00 0.00 C ATOM 505 CD2 LEU A 33 -3.771 -0.180 8.388 1.00 0.00 C ATOM 0 H LEU A 33 -4.232 -3.187 11.690 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.338 -0.637 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.571 -2.496 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.965 -0.796 10.055 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.797 -2.313 8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.093 -1.687 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.051 -2.668 7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.309 -0.909 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.331 -0.187 7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.469 0.653 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.982 -0.067 9.132 1.00 0.00 H new ATOM 517 N PRO A 34 -5.192 0.965 11.745 1.00 0.00 N ATOM 518 CA PRO A 34 -4.900 2.266 12.278 1.00 0.00 C ATOM 519 C PRO A 34 -3.825 2.319 13.349 1.00 0.00 C ATOM 520 O PRO A 34 -3.924 1.745 14.435 1.00 0.00 O ATOM 521 CB PRO A 34 -6.288 2.662 12.756 1.00 0.00 C ATOM 522 CG PRO A 34 -7.185 2.113 11.671 1.00 0.00 C ATOM 523 CD PRO A 34 -6.332 1.148 10.856 1.00 0.00 C ATOM 0 HA PRO A 34 -4.446 2.945 11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.519 2.229 13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.388 3.743 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.047 1.602 12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.571 2.916 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.850 0.211 10.652 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.041 1.567 9.893 1.00 0.00 H new ATOM 531 N THR A 35 -2.848 3.136 13.004 1.00 0.00 N ATOM 532 CA THR A 35 -1.656 3.416 13.785 1.00 0.00 C ATOM 533 C THR A 35 -0.820 4.401 12.987 1.00 0.00 C ATOM 534 O THR A 35 -0.638 5.559 13.367 1.00 0.00 O ATOM 535 CB THR A 35 -0.803 2.153 14.031 1.00 0.00 C ATOM 536 OG1 THR A 35 -0.986 1.226 12.949 1.00 0.00 O ATOM 537 CG2 THR A 35 -1.135 1.495 15.358 1.00 0.00 C ATOM 0 H THR A 35 -2.865 3.651 12.123 1.00 0.00 H new ATOM 0 HA THR A 35 -1.959 3.805 14.757 1.00 0.00 H new ATOM 0 HB THR A 35 0.243 2.456 14.076 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.223 0.346 13.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.512 0.610 15.491 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.946 2.197 16.170 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.185 1.204 15.367 1.00 0.00 H new ATOM 545 N GLY A 36 -0.352 3.913 11.847 1.00 0.00 N ATOM 546 CA GLY A 36 0.359 4.736 10.897 1.00 0.00 C ATOM 547 C GLY A 36 -0.142 4.510 9.487 1.00 0.00 C ATOM 548 O GLY A 36 0.613 4.093 8.612 1.00 0.00 O ATOM 0 H GLY A 36 -0.457 2.939 11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.240 5.786 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.425 4.513 10.946 1.00 0.00 H new ATOM 552 N TRP A 37 -1.425 4.783 9.264 1.00 0.00 N ATOM 553 CA TRP A 37 -2.036 4.593 7.952 1.00 0.00 C ATOM 554 C TRP A 37 -1.404 5.510 6.904 1.00 0.00 C ATOM 555 O TRP A 37 -1.493 5.250 5.704 1.00 0.00 O ATOM 556 CB TRP A 37 -3.556 4.815 8.016 1.00 0.00 C ATOM 557 CG TRP A 37 -3.975 6.133 8.606 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.899 7.364 8.015 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.553 6.349 9.901 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.377 8.329 8.868 1.00 0.00 N ATOM 561 CE2 TRP A 37 -4.788 7.731 10.030 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.892 5.508 10.964 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -5.344 8.289 11.179 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -5.443 6.064 12.105 1.00 0.00 C ATOM 565 CH2 TRP A 37 -5.665 7.441 12.203 1.00 0.00 C ATOM 0 H TRP A 37 -2.063 5.137 9.977 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.851 3.562 7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.963 4.738 7.008 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.002 4.012 8.602 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.518 7.550 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.419 9.328 8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.727 4.443 10.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.515 9.352 11.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.706 5.424 12.934 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.099 7.843 13.106 1.00 0.00 H new ATOM 576 N ASN A 38 -0.763 6.577 7.358 1.00 0.00 N ATOM 577 CA ASN A 38 -0.060 7.482 6.459 1.00 0.00 C ATOM 578 C ASN A 38 1.186 6.798 5.902 1.00 0.00 C ATOM 579 O ASN A 38 1.581 7.029 4.759 1.00 0.00 O ATOM 580 CB ASN A 38 0.314 8.774 7.189 1.00 0.00 C ATOM 581 CG ASN A 38 0.869 9.835 6.257 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.117 10.634 5.696 1.00 0.00 O ATOM 583 ND2 ASN A 38 2.183 9.858 6.087 1.00 0.00 N ATOM 0 H ASN A 38 -0.715 6.838 8.343 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.718 7.738 5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.567 9.167 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.053 8.550 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.606 10.555 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.772 9.179 6.570 1.00 0.00 H new ATOM 590 N ARG A 39 1.766 5.914 6.707 1.00 0.00 N ATOM 591 CA ARG A 39 2.967 5.189 6.326 1.00 0.00 C ATOM 592 C ARG A 39 2.674 4.194 5.209 1.00 0.00 C ATOM 593 O ARG A 39 3.573 3.817 4.459 1.00 0.00 O ATOM 594 CB ARG A 39 3.533 4.437 7.530 1.00 0.00 C ATOM 595 CG ARG A 39 4.148 5.323 8.601 1.00 0.00 C ATOM 596 CD ARG A 39 5.444 5.965 8.130 1.00 0.00 C ATOM 597 NE ARG A 39 6.134 6.653 9.220 1.00 0.00 N ATOM 598 CZ ARG A 39 7.324 7.250 9.102 1.00 0.00 C ATOM 599 NH1 ARG A 39 7.946 7.296 7.927 1.00 0.00 N ATOM 600 NH2 ARG A 39 7.888 7.815 10.165 1.00 0.00 N ATOM 0 H ARG A 39 1.417 5.683 7.637 1.00 0.00 H new ATOM 0 HA ARG A 39 3.696 5.916 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.735 3.847 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.290 3.735 7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.438 6.101 8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.340 4.731 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.098 5.200 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.229 6.674 7.330 1.00 0.00 H new ATOM 0 HE ARG A 39 5.677 6.679 10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.515 6.873 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.854 7.754 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.413 7.792 11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.796 8.271 10.078 1.00 0.00 H new ATOM 614 N ILE A 40 1.412 3.783 5.106 1.00 0.00 N ATOM 615 CA ILE A 40 0.992 2.779 4.127 1.00 0.00 C ATOM 616 C ILE A 40 1.456 3.143 2.719 1.00 0.00 C ATOM 617 O ILE A 40 2.071 2.329 2.035 1.00 0.00 O ATOM 618 CB ILE A 40 -0.545 2.586 4.132 1.00 0.00 C ATOM 619 CG1 ILE A 40 -1.006 2.037 5.487 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.976 1.659 3.002 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.507 1.868 5.587 1.00 0.00 C ATOM 0 H ILE A 40 0.655 4.133 5.694 1.00 0.00 H new ATOM 0 HA ILE A 40 1.463 1.841 4.421 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.016 3.556 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.527 1.074 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.670 2.709 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.059 1.537 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.679 2.089 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.499 0.687 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.764 1.476 6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.992 2.833 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.847 1.173 4.819 1.00 0.00 H new ATOM 633 N MET A 41 1.183 4.374 2.306 1.00 0.00 N ATOM 634 CA MET A 41 1.548 4.827 0.968 1.00 0.00 C ATOM 635 C MET A 41 3.066 4.869 0.797 1.00 0.00 C ATOM 636 O MET A 41 3.587 4.480 -0.248 1.00 0.00 O ATOM 637 CB MET A 41 0.939 6.200 0.681 1.00 0.00 C ATOM 638 CG MET A 41 1.290 6.745 -0.695 1.00 0.00 C ATOM 639 SD MET A 41 0.369 8.240 -1.108 1.00 0.00 S ATOM 640 CE MET A 41 -1.297 7.590 -1.229 1.00 0.00 C ATOM 0 H MET A 41 0.711 5.076 2.876 1.00 0.00 H new ATOM 0 HA MET A 41 1.147 4.112 0.250 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.145 6.133 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.279 6.905 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.358 6.959 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.090 5.981 -1.446 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.965 8.367 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.308 6.744 -1.916 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.632 7.263 -0.245 1.00 0.00 H new ATOM 650 N GLU A 42 3.768 5.322 1.831 1.00 0.00 N ATOM 651 CA GLU A 42 5.227 5.385 1.805 1.00 0.00 C ATOM 652 C GLU A 42 5.818 3.992 1.652 1.00 0.00 C ATOM 653 O GLU A 42 6.580 3.718 0.719 1.00 0.00 O ATOM 654 CB GLU A 42 5.765 6.004 3.096 1.00 0.00 C ATOM 655 CG GLU A 42 7.272 6.188 3.086 1.00 0.00 C ATOM 656 CD GLU A 42 7.854 6.362 4.471 1.00 0.00 C ATOM 657 OE1 GLU A 42 7.301 7.153 5.263 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.882 5.714 4.766 1.00 0.00 O ATOM 0 H GLU A 42 3.349 5.652 2.701 1.00 0.00 H new ATOM 0 HA GLU A 42 5.516 6.004 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.288 6.971 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.488 5.370 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.735 5.324 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.522 7.059 2.480 1.00 0.00 H new ATOM 665 N VAL A 43 5.461 3.122 2.586 1.00 0.00 N ATOM 666 CA VAL A 43 5.963 1.758 2.603 1.00 0.00 C ATOM 667 C VAL A 43 5.609 1.038 1.308 1.00 0.00 C ATOM 668 O VAL A 43 6.450 0.361 0.724 1.00 0.00 O ATOM 669 CB VAL A 43 5.412 0.961 3.809 1.00 0.00 C ATOM 670 CG1 VAL A 43 5.935 -0.468 3.805 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.775 1.653 5.113 1.00 0.00 C ATOM 0 H VAL A 43 4.819 3.341 3.348 1.00 0.00 H new ATOM 0 HA VAL A 43 7.047 1.815 2.698 1.00 0.00 H new ATOM 0 HB VAL A 43 4.326 0.925 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.532 -1.005 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.625 -0.966 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.023 -0.457 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.380 1.079 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.859 1.721 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.346 2.655 5.125 1.00 0.00 H new ATOM 681 N ALA A 44 4.369 1.204 0.854 1.00 0.00 N ATOM 682 CA ALA A 44 3.909 0.563 -0.372 1.00 0.00 C ATOM 683 C ALA A 44 4.750 0.987 -1.566 1.00 0.00 C ATOM 684 O ALA A 44 5.173 0.148 -2.359 1.00 0.00 O ATOM 685 CB ALA A 44 2.447 0.879 -0.624 1.00 0.00 C ATOM 0 H ALA A 44 3.665 1.778 1.318 1.00 0.00 H new ATOM 0 HA ALA A 44 4.020 -0.514 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.123 0.392 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.847 0.516 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.319 1.957 -0.720 1.00 0.00 H new ATOM 691 N GLU A 45 4.993 2.289 -1.687 1.00 0.00 N ATOM 692 CA GLU A 45 5.810 2.812 -2.773 1.00 0.00 C ATOM 693 C GLU A 45 7.204 2.205 -2.730 1.00 0.00 C ATOM 694 O GLU A 45 7.667 1.611 -3.701 1.00 0.00 O ATOM 695 CB GLU A 45 5.921 4.335 -2.688 1.00 0.00 C ATOM 696 CG GLU A 45 6.848 4.920 -3.743 1.00 0.00 C ATOM 697 CD GLU A 45 7.127 6.389 -3.540 1.00 0.00 C ATOM 698 OE1 GLU A 45 7.738 6.746 -2.511 1.00 0.00 O ATOM 699 OE2 GLU A 45 6.763 7.196 -4.422 1.00 0.00 O ATOM 0 H GLU A 45 4.636 2.998 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 45 5.326 2.543 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.929 4.773 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.283 4.613 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.791 4.373 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.405 4.774 -4.728 1.00 0.00 H new ATOM 706 N LYS A 46 7.858 2.348 -1.587 1.00 0.00 N ATOM 707 CA LYS A 46 9.226 1.878 -1.408 1.00 0.00 C ATOM 708 C LYS A 46 9.334 0.362 -1.569 1.00 0.00 C ATOM 709 O LYS A 46 10.320 -0.138 -2.106 1.00 0.00 O ATOM 710 CB LYS A 46 9.740 2.334 -0.048 1.00 0.00 C ATOM 711 CG LYS A 46 10.046 3.820 -0.035 1.00 0.00 C ATOM 712 CD LYS A 46 9.945 4.429 1.348 1.00 0.00 C ATOM 713 CE LYS A 46 10.864 3.750 2.347 1.00 0.00 C ATOM 714 NZ LYS A 46 10.960 4.515 3.620 1.00 0.00 N ATOM 0 H LYS A 46 7.458 2.791 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 46 9.850 2.313 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.997 2.109 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.640 1.775 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.050 3.983 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.356 4.334 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.191 5.489 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.915 4.358 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.496 2.745 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.858 3.643 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.167 3.862 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.722 5.219 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.058 4.999 3.803 1.00 0.00 H new ATOM 728 N THR A 47 8.316 -0.358 -1.119 1.00 0.00 N ATOM 729 CA THR A 47 8.259 -1.800 -1.312 1.00 0.00 C ATOM 730 C THR A 47 8.105 -2.129 -2.796 1.00 0.00 C ATOM 731 O THR A 47 8.855 -2.937 -3.347 1.00 0.00 O ATOM 732 CB THR A 47 7.088 -2.424 -0.523 1.00 0.00 C ATOM 733 OG1 THR A 47 7.232 -2.140 0.873 1.00 0.00 O ATOM 734 CG2 THR A 47 7.021 -3.929 -0.729 1.00 0.00 C ATOM 0 H THR A 47 7.518 0.033 -0.618 1.00 0.00 H new ATOM 0 HA THR A 47 9.192 -2.222 -0.939 1.00 0.00 H new ATOM 0 HB THR A 47 6.163 -1.984 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.777 -1.298 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.186 -4.337 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.879 -4.145 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.950 -4.385 -0.387 1.00 0.00 H new ATOM 742 N TYR A 48 7.145 -1.475 -3.442 1.00 0.00 N ATOM 743 CA TYR A 48 6.875 -1.701 -4.855 1.00 0.00 C ATOM 744 C TYR A 48 8.093 -1.361 -5.704 1.00 0.00 C ATOM 745 O TYR A 48 8.469 -2.127 -6.581 1.00 0.00 O ATOM 746 CB TYR A 48 5.668 -0.874 -5.308 1.00 0.00 C ATOM 747 CG TYR A 48 5.450 -0.897 -6.804 1.00 0.00 C ATOM 748 CD1 TYR A 48 5.034 -2.054 -7.448 1.00 0.00 C ATOM 749 CD2 TYR A 48 5.667 0.242 -7.569 1.00 0.00 C ATOM 750 CE1 TYR A 48 4.842 -2.075 -8.815 1.00 0.00 C ATOM 751 CE2 TYR A 48 5.476 0.228 -8.936 1.00 0.00 C ATOM 752 CZ TYR A 48 5.063 -0.934 -9.554 1.00 0.00 C ATOM 753 OH TYR A 48 4.869 -0.952 -10.915 1.00 0.00 O ATOM 0 H TYR A 48 6.539 -0.781 -3.005 1.00 0.00 H new ATOM 0 HA TYR A 48 6.648 -2.759 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.773 -1.250 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.802 0.158 -4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.858 -2.950 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.990 1.153 -7.087 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.520 -2.983 -9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.649 1.121 -9.518 1.00 0.00 H new ATOM 0 HH TYR A 48 4.156 -1.587 -11.135 1.00 0.00 H new ATOM 763 N GLU A 49 8.708 -0.216 -5.426 1.00 0.00 N ATOM 764 CA GLU A 49 9.884 0.230 -6.156 1.00 0.00 C ATOM 765 C GLU A 49 11.050 -0.742 -5.979 1.00 0.00 C ATOM 766 O GLU A 49 11.831 -0.956 -6.906 1.00 0.00 O ATOM 767 CB GLU A 49 10.274 1.635 -5.698 1.00 0.00 C ATOM 768 CG GLU A 49 9.351 2.720 -6.232 1.00 0.00 C ATOM 769 CD GLU A 49 9.262 2.731 -7.749 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.242 3.138 -8.407 1.00 0.00 O ATOM 771 OE2 GLU A 49 8.206 2.346 -8.291 1.00 0.00 O ATOM 0 H GLU A 49 8.405 0.424 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 49 9.641 0.257 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.270 1.669 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.294 1.845 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.354 2.578 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.704 3.692 -5.887 1.00 0.00 H new ATOM 778 N ALA A 50 11.149 -1.344 -4.796 1.00 0.00 N ATOM 779 CA ALA A 50 12.185 -2.336 -4.530 1.00 0.00 C ATOM 780 C ALA A 50 11.949 -3.591 -5.362 1.00 0.00 C ATOM 781 O ALA A 50 12.860 -4.088 -6.024 1.00 0.00 O ATOM 782 CB ALA A 50 12.237 -2.675 -3.045 1.00 0.00 C ATOM 0 H ALA A 50 10.526 -1.162 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 50 13.148 -1.912 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.016 -3.416 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.458 -1.773 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.274 -3.078 -2.730 1.00 0.00 H new ATOM 788 N TYR A 51 10.714 -4.089 -5.340 1.00 0.00 N ATOM 789 CA TYR A 51 10.344 -5.247 -6.141 1.00 0.00 C ATOM 790 C TYR A 51 10.406 -4.916 -7.625 1.00 0.00 C ATOM 791 O TYR A 51 10.731 -5.773 -8.443 1.00 0.00 O ATOM 792 CB TYR A 51 8.946 -5.743 -5.760 1.00 0.00 C ATOM 793 CG TYR A 51 8.920 -6.566 -4.491 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.761 -5.970 -3.248 1.00 0.00 C ATOM 795 CD2 TYR A 51 9.054 -7.946 -4.544 1.00 0.00 C ATOM 796 CE1 TYR A 51 8.736 -6.727 -2.092 1.00 0.00 C ATOM 797 CE2 TYR A 51 9.029 -8.709 -3.393 1.00 0.00 C ATOM 798 CZ TYR A 51 8.868 -8.096 -2.169 1.00 0.00 C ATOM 799 OH TYR A 51 8.841 -8.852 -1.020 1.00 0.00 O ATOM 0 H TYR A 51 9.955 -3.707 -4.776 1.00 0.00 H new ATOM 0 HA TYR A 51 11.059 -6.044 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.285 -4.884 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.546 -6.341 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.655 -4.897 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.180 -8.431 -5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.613 -6.247 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.135 -9.782 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 51 8.946 -9.799 -1.249 1.00 0.00 H new ATOM 809 N ARG A 52 10.101 -3.667 -7.963 1.00 0.00 N ATOM 810 CA ARG A 52 10.210 -3.192 -9.336 1.00 0.00 C ATOM 811 C ARG A 52 11.632 -3.363 -9.852 1.00 0.00 C ATOM 812 O ARG A 52 11.859 -4.023 -10.861 1.00 0.00 O ATOM 813 CB ARG A 52 9.821 -1.714 -9.429 1.00 0.00 C ATOM 814 CG ARG A 52 10.209 -1.086 -10.755 1.00 0.00 C ATOM 815 CD ARG A 52 10.343 0.422 -10.656 1.00 0.00 C ATOM 816 NE ARG A 52 11.029 0.971 -11.821 1.00 0.00 N ATOM 817 CZ ARG A 52 11.458 2.229 -11.922 1.00 0.00 C ATOM 818 NH1 ARG A 52 11.246 3.096 -10.935 1.00 0.00 N ATOM 819 NH2 ARG A 52 12.101 2.621 -13.013 1.00 0.00 N ATOM 0 H ARG A 52 9.775 -2.963 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 52 9.529 -3.785 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.745 -1.617 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.300 -1.165 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.153 -1.512 -11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.459 -1.334 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.354 0.872 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.893 0.682 -9.752 1.00 0.00 H new ATOM 0 HE ARG A 52 11.192 0.349 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.752 2.800 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.578 4.057 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.266 1.961 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.430 3.583 -13.093 1.00 0.00 H new ATOM 833 N GLN A 53 12.585 -2.776 -9.138 1.00 0.00 N ATOM 834 CA GLN A 53 13.982 -2.823 -9.541 1.00 0.00 C ATOM 835 C GLN A 53 14.486 -4.260 -9.527 1.00 0.00 C ATOM 836 O GLN A 53 15.266 -4.661 -10.391 1.00 0.00 O ATOM 837 CB GLN A 53 14.831 -1.953 -8.608 1.00 0.00 C ATOM 838 CG GLN A 53 16.296 -1.872 -9.008 1.00 0.00 C ATOM 839 CD GLN A 53 16.497 -1.224 -10.362 1.00 0.00 C ATOM 840 OE1 GLN A 53 15.725 -0.357 -10.776 1.00 0.00 O ATOM 841 NE2 GLN A 53 17.531 -1.650 -11.067 1.00 0.00 N ATOM 0 H GLN A 53 12.413 -2.261 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 53 14.067 -2.434 -10.555 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.414 -0.946 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.762 -2.349 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.844 -1.306 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.720 -2.876 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.146 -2.370 -10.687 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.714 -1.259 -11.991 1.00 0.00 H new ATOM 850 N LEU A 54 14.025 -5.027 -8.547 1.00 0.00 N ATOM 851 CA LEU A 54 14.387 -6.434 -8.444 1.00 0.00 C ATOM 852 C LEU A 54 13.889 -7.198 -9.673 1.00 0.00 C ATOM 853 O LEU A 54 14.667 -7.874 -10.342 1.00 0.00 O ATOM 854 CB LEU A 54 13.802 -7.033 -7.153 1.00 0.00 C ATOM 855 CG LEU A 54 14.392 -8.378 -6.691 1.00 0.00 C ATOM 856 CD1 LEU A 54 14.003 -8.643 -5.245 1.00 0.00 C ATOM 857 CD2 LEU A 54 13.915 -9.529 -7.566 1.00 0.00 C ATOM 0 H LEU A 54 13.399 -4.698 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 54 15.473 -6.522 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.935 -6.308 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.729 -7.161 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 54 15.477 -8.313 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.423 -9.596 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.390 -7.844 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.917 -8.679 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.352 -10.462 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.828 -9.596 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.223 -9.354 -8.597 1.00 0.00 H new ATOM 869 N ASP A 55 12.603 -7.053 -9.987 1.00 0.00 N ATOM 870 CA ASP A 55 11.992 -7.787 -11.094 1.00 0.00 C ATOM 871 C ASP A 55 12.491 -7.272 -12.443 1.00 0.00 C ATOM 872 O ASP A 55 12.582 -8.031 -13.406 1.00 0.00 O ATOM 873 CB ASP A 55 10.463 -7.698 -11.023 1.00 0.00 C ATOM 874 CG ASP A 55 9.786 -8.496 -12.121 1.00 0.00 C ATOM 875 OD1 ASP A 55 9.835 -9.743 -12.077 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.205 -7.881 -13.042 1.00 0.00 O ATOM 0 H ASP A 55 11.963 -6.433 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 55 12.286 -8.832 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.125 -8.061 -10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.159 -6.654 -11.096 1.00 0.00 H new ATOM 881 N GLU A 56 12.816 -5.985 -12.504 1.00 0.00 N ATOM 882 CA GLU A 56 13.387 -5.383 -13.707 1.00 0.00 C ATOM 883 C GLU A 56 14.780 -5.932 -13.979 1.00 0.00 C ATOM 884 O GLU A 56 15.066 -6.422 -15.073 1.00 0.00 O ATOM 885 CB GLU A 56 13.454 -3.856 -13.577 1.00 0.00 C ATOM 886 CG GLU A 56 12.202 -3.138 -14.058 1.00 0.00 C ATOM 887 CD GLU A 56 12.405 -1.639 -14.180 1.00 0.00 C ATOM 888 OE1 GLU A 56 13.429 -1.221 -14.758 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.547 -0.868 -13.704 1.00 0.00 O ATOM 0 H GLU A 56 12.693 -5.333 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 56 12.736 -5.638 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.630 -3.598 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.310 -3.491 -14.144 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.904 -3.541 -15.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.384 -3.336 -13.365 1.00 0.00 H new ATOM 896 N PHE A 57 15.637 -5.855 -12.971 1.00 0.00 N ATOM 897 CA PHE A 57 17.005 -6.337 -13.085 1.00 0.00 C ATOM 898 C PHE A 57 17.005 -7.842 -13.343 1.00 0.00 C ATOM 899 O PHE A 57 17.803 -8.356 -14.129 1.00 0.00 O ATOM 900 CB PHE A 57 17.772 -6.003 -11.800 1.00 0.00 C ATOM 901 CG PHE A 57 19.258 -6.196 -11.891 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.027 -5.375 -12.700 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.888 -7.183 -11.152 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.395 -5.539 -12.774 1.00 0.00 C ATOM 905 CE2 PHE A 57 21.256 -7.351 -11.223 1.00 0.00 C ATOM 906 CZ PHE A 57 22.012 -6.529 -12.035 1.00 0.00 C ATOM 0 H PHE A 57 15.406 -5.460 -12.059 1.00 0.00 H new ATOM 0 HA PHE A 57 17.499 -5.847 -13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.569 -4.966 -11.531 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.387 -6.624 -10.991 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.550 -4.598 -13.279 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.303 -7.828 -10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 57 21.983 -4.893 -13.410 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.735 -8.126 -10.643 1.00 0.00 H new ATOM 0 HZ PHE A 57 23.083 -6.660 -12.092 1.00 0.00 H new ATOM 916 N ARG A 58 16.074 -8.528 -12.699 1.00 0.00 N ATOM 917 CA ARG A 58 15.924 -9.964 -12.853 1.00 0.00 C ATOM 918 C ARG A 58 15.380 -10.304 -14.235 1.00 0.00 C ATOM 919 O ARG A 58 15.820 -11.263 -14.857 1.00 0.00 O ATOM 920 CB ARG A 58 15.007 -10.509 -11.758 1.00 0.00 C ATOM 921 CG ARG A 58 14.694 -11.989 -11.882 1.00 0.00 C ATOM 922 CD ARG A 58 14.081 -12.521 -10.599 1.00 0.00 C ATOM 923 NE ARG A 58 13.680 -13.919 -10.717 1.00 0.00 N ATOM 924 CZ ARG A 58 14.425 -14.953 -10.318 1.00 0.00 C ATOM 925 NH1 ARG A 58 15.660 -14.752 -9.871 1.00 0.00 N ATOM 926 NH2 ARG A 58 13.935 -16.183 -10.379 1.00 0.00 N ATOM 0 H ARG A 58 15.404 -8.105 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 58 16.903 -10.433 -12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.471 -10.328 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.072 -9.950 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.007 -12.151 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.606 -12.540 -12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.799 -12.418 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.213 -11.917 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 58 12.770 -14.120 -11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.041 -13.807 -9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.227 -15.543 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.990 -16.339 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.503 -16.974 -10.075 1.00 0.00 H new ATOM 940 N LYS A 59 14.427 -9.510 -14.705 1.00 0.00 N ATOM 941 CA LYS A 59 13.870 -9.663 -16.036 1.00 0.00 C ATOM 942 C LYS A 59 14.974 -9.708 -17.081 1.00 0.00 C ATOM 943 O LYS A 59 15.056 -10.638 -17.890 1.00 0.00 O ATOM 944 CB LYS A 59 12.952 -8.478 -16.323 1.00 0.00 C ATOM 945 CG LYS A 59 12.077 -8.680 -17.528 1.00 0.00 C ATOM 946 CD LYS A 59 11.111 -9.823 -17.304 1.00 0.00 C ATOM 947 CE LYS A 59 9.921 -9.409 -16.443 1.00 0.00 C ATOM 948 NZ LYS A 59 10.266 -9.350 -14.997 1.00 0.00 N ATOM 0 H LYS A 59 14.020 -8.742 -14.171 1.00 0.00 H new ATOM 0 HA LYS A 59 13.312 -10.598 -16.082 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.322 -8.296 -15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.559 -7.585 -16.469 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.523 -7.765 -17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.695 -8.886 -18.402 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.752 -10.187 -18.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.634 -10.650 -16.825 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.561 -8.433 -16.769 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.104 -10.116 -16.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.690 -10.040 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.274 -9.574 -14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.076 -8.394 -14.634 1.00 0.00 H new ATOM 962 N SER A 60 15.812 -8.690 -17.041 1.00 0.00 N ATOM 963 CA SER A 60 16.928 -8.561 -17.965 1.00 0.00 C ATOM 964 C SER A 60 17.833 -9.792 -17.918 1.00 0.00 C ATOM 965 O SER A 60 18.051 -10.455 -18.935 1.00 0.00 O ATOM 966 CB SER A 60 17.728 -7.297 -17.636 1.00 0.00 C ATOM 967 OG SER A 60 18.609 -6.952 -18.692 1.00 0.00 O ATOM 0 H SER A 60 15.740 -7.927 -16.367 1.00 0.00 H new ATOM 0 HA SER A 60 16.529 -8.482 -18.976 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.043 -6.470 -17.447 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.299 -7.454 -16.721 1.00 0.00 H new ATOM 0 HG SER A 60 19.104 -6.141 -18.453 1.00 0.00 H new ATOM 973 N THR A 61 18.320 -10.124 -16.731 1.00 0.00 N ATOM 974 CA THR A 61 19.275 -11.212 -16.584 1.00 0.00 C ATOM 975 C THR A 61 18.634 -12.574 -16.878 1.00 0.00 C ATOM 976 O THR A 61 19.303 -13.474 -17.375 1.00 0.00 O ATOM 977 CB THR A 61 19.934 -11.225 -15.183 1.00 0.00 C ATOM 978 OG1 THR A 61 20.942 -12.240 -15.123 1.00 0.00 O ATOM 979 CG2 THR A 61 18.913 -11.466 -14.078 1.00 0.00 C ATOM 0 H THR A 61 18.071 -9.657 -15.859 1.00 0.00 H new ATOM 0 HA THR A 61 20.057 -11.033 -17.322 1.00 0.00 H new ATOM 0 HB THR A 61 20.382 -10.244 -15.026 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.354 -12.240 -14.234 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.417 -11.468 -13.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.164 -10.674 -14.096 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.427 -12.429 -14.235 1.00 0.00 H new ATOM 1204 N ALA B 5 -27.324 13.879 10.477 1.00 0.00 N ATOM 1205 CA ALA B 5 -26.699 12.655 10.979 1.00 0.00 C ATOM 1206 C ALA B 5 -27.054 11.446 10.120 1.00 0.00 C ATOM 1207 O ALA B 5 -26.312 10.475 10.076 1.00 0.00 O ATOM 1208 CB ALA B 5 -27.098 12.409 12.428 1.00 0.00 C ATOM 0 HA ALA B 5 -25.619 12.793 10.926 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -26.624 11.495 12.786 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -26.775 13.249 13.042 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -28.181 12.307 12.495 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.195 11.503 9.439 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.591 10.436 8.523 1.00 0.00 C ATOM 1216 C GLU B 6 -27.615 10.365 7.353 1.00 0.00 C ATOM 1217 O GLU B 6 -27.108 9.298 7.016 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.008 10.686 7.994 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.045 10.912 9.081 1.00 0.00 C ATOM 1220 CD GLU B 6 -31.272 9.690 9.947 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -32.030 8.792 9.526 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -30.707 9.627 11.060 1.00 0.00 O ATOM 0 H GLU B 6 -28.860 12.274 9.503 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.576 9.490 9.065 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -29.991 11.555 7.337 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.313 9.834 7.387 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -30.727 11.743 9.711 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -31.989 11.204 8.620 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.341 11.521 6.761 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.411 11.623 5.643 1.00 0.00 C ATOM 1231 C GLU B 7 -25.004 11.309 6.124 1.00 0.00 C ATOM 1232 O GLU B 7 -24.219 10.669 5.425 1.00 0.00 O ATOM 1233 CB GLU B 7 -26.460 13.036 5.058 1.00 0.00 C ATOM 1234 CG GLU B 7 -25.823 13.160 3.687 1.00 0.00 C ATOM 1235 CD GLU B 7 -26.564 12.367 2.634 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -27.594 12.859 2.128 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -26.118 11.252 2.299 1.00 0.00 O ATOM 0 H GLU B 7 -27.755 12.410 7.041 1.00 0.00 H new ATOM 0 HA GLU B 7 -26.693 10.909 4.869 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -27.500 13.355 4.994 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -25.958 13.719 5.743 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -25.796 14.210 3.395 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -24.790 12.816 3.737 1.00 0.00 H new ATOM 1244 N LEU B 8 -24.709 11.754 7.336 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.430 11.513 7.965 1.00 0.00 C ATOM 1246 C LEU B 8 -23.225 10.021 8.199 1.00 0.00 C ATOM 1247 O LEU B 8 -22.173 9.468 7.888 1.00 0.00 O ATOM 1248 CB LEU B 8 -23.377 12.275 9.286 1.00 0.00 C ATOM 1249 CG LEU B 8 -23.372 13.802 9.167 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -23.343 14.440 10.546 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -22.183 14.273 8.342 1.00 0.00 C ATOM 0 H LEU B 8 -25.357 12.295 7.909 1.00 0.00 H new ATOM 0 HA LEU B 8 -22.630 11.863 7.312 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -24.234 11.978 9.891 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -22.482 11.967 9.827 1.00 0.00 H new ATOM 0 HG LEU B 8 -24.286 14.109 8.659 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -23.340 15.525 10.445 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -24.224 14.131 11.109 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -22.445 14.122 11.075 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -22.198 15.360 8.270 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -21.258 13.954 8.822 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -22.240 13.842 7.342 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.250 9.372 8.726 1.00 0.00 N ATOM 1264 CA LYS B 9 -24.201 7.945 8.995 1.00 0.00 C ATOM 1265 C LYS B 9 -24.113 7.144 7.702 1.00 0.00 C ATOM 1266 O LYS B 9 -23.395 6.149 7.631 1.00 0.00 O ATOM 1267 CB LYS B 9 -25.428 7.528 9.810 1.00 0.00 C ATOM 1268 CG LYS B 9 -25.085 7.005 11.196 1.00 0.00 C ATOM 1269 CD LYS B 9 -24.326 8.047 12.003 1.00 0.00 C ATOM 1270 CE LYS B 9 -23.925 7.518 13.369 1.00 0.00 C ATOM 1271 NZ LYS B 9 -23.166 8.527 14.149 1.00 0.00 N ATOM 0 H LYS B 9 -25.133 9.816 8.978 1.00 0.00 H new ATOM 0 HA LYS B 9 -23.303 7.732 9.574 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -26.097 8.383 9.908 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -25.973 6.758 9.264 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -26.000 6.730 11.721 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -24.484 6.100 11.108 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -23.435 8.353 11.455 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -24.946 8.935 12.125 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -24.818 7.227 13.923 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -23.318 6.621 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -22.910 8.129 15.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -22.301 8.786 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -23.754 9.374 14.287 1.00 0.00 H new ATOM 1285 N ALA B 10 -24.829 7.587 6.680 1.00 0.00 N ATOM 1286 CA ALA B 10 -24.780 6.936 5.377 1.00 0.00 C ATOM 1287 C ALA B 10 -23.398 7.094 4.748 1.00 0.00 C ATOM 1288 O ALA B 10 -22.869 6.167 4.127 1.00 0.00 O ATOM 1289 CB ALA B 10 -25.854 7.506 4.463 1.00 0.00 C ATOM 0 H ALA B 10 -25.451 8.394 6.726 1.00 0.00 H new ATOM 0 HA ALA B 10 -24.971 5.872 5.514 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.806 7.011 3.493 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -26.835 7.340 4.907 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.691 8.576 4.333 1.00 0.00 H new ATOM 1295 N LYS B 11 -22.815 8.271 4.929 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.485 8.562 4.418 1.00 0.00 C ATOM 1297 C LYS B 11 -20.447 7.740 5.174 1.00 0.00 C ATOM 1298 O LYS B 11 -19.556 7.137 4.576 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.204 10.058 4.576 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.584 10.730 3.355 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.155 10.283 3.088 1.00 0.00 C ATOM 1302 CE LYS B 11 -18.549 11.078 1.940 1.00 0.00 C ATOM 1303 NZ LYS B 11 -17.152 10.664 1.637 1.00 0.00 N ATOM 0 H LYS B 11 -23.248 9.046 5.431 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.429 8.297 3.362 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -22.139 10.565 4.815 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -20.538 10.199 5.427 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -21.196 10.513 2.479 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -20.600 11.811 3.496 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -18.553 10.416 3.987 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -19.140 9.220 2.849 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -19.164 10.950 1.049 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.565 12.139 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -16.704 11.375 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -16.614 10.582 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -17.160 9.744 1.151 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.584 7.715 6.495 1.00 0.00 N ATOM 1318 CA LEU B 12 -19.697 6.937 7.350 1.00 0.00 C ATOM 1319 C LEU B 12 -19.802 5.454 7.020 1.00 0.00 C ATOM 1320 O LEU B 12 -18.793 4.758 6.946 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.045 7.172 8.824 1.00 0.00 C ATOM 1322 CG LEU B 12 -19.165 6.433 9.836 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -17.725 6.917 9.751 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -19.709 6.618 11.245 1.00 0.00 C ATOM 0 H LEU B 12 -21.307 8.229 6.999 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.672 7.262 7.171 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -19.983 8.241 9.028 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.081 6.876 8.986 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.181 5.370 9.595 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -17.117 6.379 10.478 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.338 6.734 8.748 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -17.687 7.985 9.965 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -19.073 6.087 11.953 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -19.722 7.679 11.494 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -20.723 6.221 11.299 1.00 0.00 H new ATOM 1336 N LYS B 13 -21.028 4.983 6.815 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.275 3.584 6.474 1.00 0.00 C ATOM 1338 C LYS B 13 -20.541 3.208 5.195 1.00 0.00 C ATOM 1339 O LYS B 13 -19.870 2.176 5.124 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.776 3.344 6.295 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.152 1.891 6.033 1.00 0.00 C ATOM 1342 CD LYS B 13 -22.737 0.988 7.187 1.00 0.00 C ATOM 1343 CE LYS B 13 -23.176 -0.449 6.958 1.00 0.00 C ATOM 1344 NZ LYS B 13 -22.774 -1.339 8.077 1.00 0.00 N ATOM 0 H LYS B 13 -21.872 5.553 6.879 1.00 0.00 H new ATOM 0 HA LYS B 13 -20.905 2.961 7.288 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.296 3.686 7.190 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.133 3.955 5.466 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -24.228 1.815 5.880 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.674 1.551 5.114 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -21.654 1.024 7.307 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -23.173 1.359 8.115 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -24.259 -0.483 6.839 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -22.742 -0.817 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -23.093 -2.309 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -21.739 -1.328 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -23.209 -1.004 8.960 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.677 4.065 4.196 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.042 3.857 2.901 1.00 0.00 C ATOM 1360 C LYS B 14 -18.526 3.749 3.053 1.00 0.00 C ATOM 1361 O LYS B 14 -17.901 2.834 2.514 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.397 5.008 1.958 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.107 4.716 0.496 1.00 0.00 C ATOM 1364 CD LYS B 14 -20.931 3.542 -0.008 1.00 0.00 C ATOM 1365 CE LYS B 14 -20.767 3.343 -1.504 1.00 0.00 C ATOM 1366 NZ LYS B 14 -19.357 3.051 -1.877 1.00 0.00 N ATOM 0 H LYS B 14 -21.228 4.921 4.257 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.410 2.922 2.479 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.456 5.242 2.069 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.841 5.896 2.259 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.325 5.600 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -19.046 4.499 0.370 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -20.630 2.634 0.515 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -21.983 3.709 0.224 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -21.406 2.523 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -21.102 4.238 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -19.309 2.806 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -18.769 3.890 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -19.006 2.253 -1.310 1.00 0.00 H new ATOM 1380 N LEU B 15 -17.949 4.680 3.801 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.508 4.688 4.048 1.00 0.00 C ATOM 1382 C LEU B 15 -16.084 3.491 4.888 1.00 0.00 C ATOM 1383 O LEU B 15 -15.054 2.876 4.625 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.090 5.981 4.751 1.00 0.00 C ATOM 1385 CG LEU B 15 -15.695 7.138 3.828 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -16.817 7.480 2.858 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -15.314 8.352 4.653 1.00 0.00 C ATOM 0 H LEU B 15 -18.456 5.443 4.250 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.010 4.627 3.081 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -16.913 6.311 5.386 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.249 5.761 5.408 1.00 0.00 H new ATOM 0 HG LEU B 15 -14.833 6.825 3.238 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -16.505 8.305 2.217 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -17.045 6.609 2.243 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -17.706 7.772 3.418 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -15.034 9.170 3.989 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -16.162 8.656 5.266 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -14.471 8.104 5.298 1.00 0.00 H new ATOM 1399 N ASN B 16 -16.885 3.174 5.895 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.598 2.068 6.803 1.00 0.00 C ATOM 1401 C ASN B 16 -16.489 0.753 6.039 1.00 0.00 C ATOM 1402 O ASN B 16 -15.536 -0.006 6.218 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.695 1.972 7.870 1.00 0.00 C ATOM 1404 CG ASN B 16 -17.405 0.917 8.920 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -17.762 -0.248 8.759 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -16.777 1.322 10.012 1.00 0.00 N ATOM 0 H ASN B 16 -17.749 3.673 6.107 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.641 2.258 7.289 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -17.807 2.941 8.357 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.646 1.746 7.387 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -16.573 0.658 10.759 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -16.497 2.298 10.107 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.459 0.501 5.167 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.492 -0.731 4.387 1.00 0.00 C ATOM 1415 C ALA B 17 -16.373 -0.762 3.352 1.00 0.00 C ATOM 1416 O ALA B 17 -15.817 -1.823 3.058 1.00 0.00 O ATOM 1417 CB ALA B 17 -18.846 -0.891 3.712 1.00 0.00 C ATOM 0 H ALA B 17 -18.236 1.136 4.982 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.337 -1.566 5.070 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -18.857 -1.814 3.133 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.628 -0.929 4.470 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.024 -0.045 3.049 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.040 0.401 2.809 1.00 0.00 N ATOM 1424 CA GLN B 18 -14.984 0.502 1.810 1.00 0.00 C ATOM 1425 C GLN B 18 -13.615 0.324 2.460 1.00 0.00 C ATOM 1426 O GLN B 18 -12.773 -0.428 1.967 1.00 0.00 O ATOM 1427 CB GLN B 18 -15.057 1.852 1.090 1.00 0.00 C ATOM 1428 CG GLN B 18 -14.140 1.945 -0.119 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.280 3.263 -0.859 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -15.115 3.397 -1.755 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -13.460 4.241 -0.502 1.00 0.00 N ATOM 0 H GLN B 18 -16.486 1.288 3.043 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.127 -0.292 1.077 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -16.084 2.030 0.771 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -14.800 2.644 1.793 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.106 1.822 0.204 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -14.361 1.124 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -12.782 4.091 0.245 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -13.507 5.144 -0.974 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.407 1.005 3.581 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.140 0.943 4.299 1.00 0.00 C ATOM 1442 C ALA B 19 -11.852 -0.472 4.788 1.00 0.00 C ATOM 1443 O ALA B 19 -10.713 -0.931 4.739 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.144 1.916 5.468 1.00 0.00 C ATOM 0 H ALA B 19 -14.105 1.610 4.014 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.348 1.228 3.607 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.191 1.857 5.994 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.292 2.930 5.097 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.952 1.659 6.153 1.00 0.00 H new ATOM 1450 N THR B 20 -12.890 -1.164 5.248 1.00 0.00 N ATOM 1451 CA THR B 20 -12.737 -2.530 5.736 1.00 0.00 C ATOM 1452 C THR B 20 -12.332 -3.474 4.601 1.00 0.00 C ATOM 1453 O THR B 20 -11.513 -4.377 4.794 1.00 0.00 O ATOM 1454 CB THR B 20 -14.033 -3.032 6.407 1.00 0.00 C ATOM 1455 OG1 THR B 20 -14.399 -2.136 7.466 1.00 0.00 O ATOM 1456 CG2 THR B 20 -13.858 -4.439 6.970 1.00 0.00 C ATOM 0 H THR B 20 -13.843 -0.803 5.293 1.00 0.00 H new ATOM 0 HA THR B 20 -11.944 -2.524 6.484 1.00 0.00 H new ATOM 0 HB THR B 20 -14.818 -3.063 5.652 1.00 0.00 H new ATOM 0 HG1 THR B 20 -14.818 -1.335 7.087 1.00 0.00 H new ATOM 0 HG21 THR B 20 -14.789 -4.763 7.436 1.00 0.00 H new ATOM 0 HG22 THR B 20 -13.598 -5.124 6.163 1.00 0.00 H new ATOM 0 HG23 THR B 20 -13.062 -4.437 7.714 1.00 0.00 H new ATOM 1464 N ALA B 21 -12.887 -3.242 3.412 1.00 0.00 N ATOM 1465 CA ALA B 21 -12.550 -4.046 2.243 1.00 0.00 C ATOM 1466 C ALA B 21 -11.079 -3.878 1.886 1.00 0.00 C ATOM 1467 O ALA B 21 -10.358 -4.859 1.703 1.00 0.00 O ATOM 1468 CB ALA B 21 -13.431 -3.671 1.061 1.00 0.00 C ATOM 0 H ALA B 21 -13.570 -2.505 3.235 1.00 0.00 H new ATOM 0 HA ALA B 21 -12.729 -5.094 2.485 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -13.163 -4.282 0.199 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -14.476 -3.843 1.317 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -13.286 -2.618 0.818 1.00 0.00 H new ATOM 1474 N LEU B 22 -10.635 -2.628 1.803 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.237 -2.325 1.516 1.00 0.00 C ATOM 1476 C LEU B 22 -8.326 -2.858 2.620 1.00 0.00 C ATOM 1477 O LEU B 22 -7.220 -3.331 2.352 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.030 -0.813 1.354 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.306 -0.244 -0.048 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -8.387 -0.882 -1.076 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -10.760 -0.437 -0.449 1.00 0.00 C ATOM 0 H LEU B 22 -11.225 -1.806 1.931 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.976 -2.818 0.580 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.675 -0.299 2.067 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.001 -0.575 1.625 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.105 0.827 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -8.598 -0.466 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -7.349 -0.679 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -8.553 -1.959 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -10.921 -0.024 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -10.998 -1.501 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.405 0.075 0.265 1.00 0.00 H new ATOM 1493 N LYS B 23 -8.810 -2.783 3.855 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.075 -3.269 5.017 1.00 0.00 C ATOM 1495 C LYS B 23 -7.688 -4.735 4.854 1.00 0.00 C ATOM 1496 O LYS B 23 -6.512 -5.093 4.941 1.00 0.00 O ATOM 1497 CB LYS B 23 -8.927 -3.085 6.281 1.00 0.00 C ATOM 1498 CG LYS B 23 -8.272 -3.597 7.555 1.00 0.00 C ATOM 1499 CD LYS B 23 -9.102 -3.263 8.783 1.00 0.00 C ATOM 1500 CE LYS B 23 -8.361 -3.601 10.064 1.00 0.00 C ATOM 1501 NZ LYS B 23 -9.156 -3.253 11.270 1.00 0.00 N ATOM 0 H LYS B 23 -9.722 -2.384 4.079 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.157 -2.689 5.109 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.153 -2.026 6.402 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.878 -3.600 6.143 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -8.139 -4.677 7.488 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.279 -3.159 7.656 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.354 -2.202 8.776 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.042 -3.814 8.749 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.126 -4.665 10.078 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -7.412 -3.065 10.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -8.616 -3.499 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -9.358 -2.233 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.050 -3.783 11.261 1.00 0.00 H new ATOM 1515 N MET B 24 -8.680 -5.577 4.600 1.00 0.00 N ATOM 1516 CA MET B 24 -8.445 -7.010 4.479 1.00 0.00 C ATOM 1517 C MET B 24 -7.723 -7.338 3.172 1.00 0.00 C ATOM 1518 O MET B 24 -6.915 -8.263 3.115 1.00 0.00 O ATOM 1519 CB MET B 24 -9.769 -7.780 4.582 1.00 0.00 C ATOM 1520 CG MET B 24 -10.778 -7.427 3.494 1.00 0.00 C ATOM 1521 SD MET B 24 -12.395 -8.177 3.761 1.00 0.00 S ATOM 1522 CE MET B 24 -11.943 -9.907 3.828 1.00 0.00 C ATOM 0 H MET B 24 -9.652 -5.295 4.474 1.00 0.00 H new ATOM 0 HA MET B 24 -7.801 -7.322 5.302 1.00 0.00 H new ATOM 0 HB2 MET B 24 -9.560 -8.849 4.537 1.00 0.00 H new ATOM 0 HB3 MET B 24 -10.217 -7.584 5.556 1.00 0.00 H new ATOM 0 HG2 MET B 24 -10.890 -6.344 3.448 1.00 0.00 H new ATOM 0 HG3 MET B 24 -10.390 -7.749 2.528 1.00 0.00 H new ATOM 0 HE1 MET B 24 -12.835 -10.521 3.703 1.00 0.00 H new ATOM 0 HE2 MET B 24 -11.235 -10.129 3.030 1.00 0.00 H new ATOM 0 HE3 MET B 24 -11.483 -10.126 4.792 1.00 0.00 H new ATOM 1532 N ASP B 25 -7.995 -6.555 2.135 1.00 0.00 N ATOM 1533 CA ASP B 25 -7.390 -6.776 0.826 1.00 0.00 C ATOM 1534 C ASP B 25 -5.889 -6.504 0.860 1.00 0.00 C ATOM 1535 O ASP B 25 -5.097 -7.278 0.318 1.00 0.00 O ATOM 1536 CB ASP B 25 -8.070 -5.894 -0.222 1.00 0.00 C ATOM 1537 CG ASP B 25 -7.521 -6.110 -1.616 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -7.567 -7.254 -2.111 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -7.063 -5.134 -2.235 1.00 0.00 O ATOM 0 H ASP B 25 -8.632 -5.759 2.175 1.00 0.00 H new ATOM 0 HA ASP B 25 -7.534 -7.822 0.556 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -9.141 -6.098 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -7.945 -4.847 0.055 1.00 0.00 H new ATOM 1544 N LEU B 26 -5.500 -5.409 1.509 1.00 0.00 N ATOM 1545 CA LEU B 26 -4.089 -5.072 1.674 1.00 0.00 C ATOM 1546 C LEU B 26 -3.403 -6.092 2.576 1.00 0.00 C ATOM 1547 O LEU B 26 -2.298 -6.552 2.285 1.00 0.00 O ATOM 1548 CB LEU B 26 -3.940 -3.667 2.268 1.00 0.00 C ATOM 1549 CG LEU B 26 -2.500 -3.198 2.500 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -1.753 -3.058 1.181 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -2.488 -1.884 3.268 1.00 0.00 C ATOM 0 H LEU B 26 -6.144 -4.739 1.930 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.614 -5.091 0.693 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -4.432 -2.957 1.604 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.472 -3.635 3.219 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.987 -3.952 3.097 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.734 -2.724 1.374 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.729 -4.022 0.672 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.261 -2.328 0.551 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.458 -1.564 3.425 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.021 -1.124 2.697 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.976 -2.022 4.233 1.00 0.00 H new ATOM 1563 N HIS B 27 -4.081 -6.448 3.662 1.00 0.00 N ATOM 1564 CA HIS B 27 -3.583 -7.453 4.596 1.00 0.00 C ATOM 1565 C HIS B 27 -3.243 -8.748 3.863 1.00 0.00 C ATOM 1566 O HIS B 27 -2.136 -9.271 3.976 1.00 0.00 O ATOM 1567 CB HIS B 27 -4.639 -7.719 5.679 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.324 -8.886 6.565 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -4.816 -10.154 6.338 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.561 -8.974 7.681 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -4.369 -10.967 7.275 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.605 -10.278 8.103 1.00 0.00 N ATOM 0 H HIS B 27 -4.985 -6.052 3.919 1.00 0.00 H new ATOM 0 HA HIS B 27 -2.673 -7.077 5.064 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -4.745 -6.826 6.295 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.602 -7.891 5.198 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -5.429 -10.421 5.567 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.019 -8.167 8.151 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.591 -12.021 7.352 1.00 0.00 H new ATOM 1581 N ASP B 28 -4.199 -9.245 3.100 1.00 0.00 N ATOM 1582 CA ASP B 28 -4.041 -10.510 2.397 1.00 0.00 C ATOM 1583 C ASP B 28 -3.076 -10.391 1.224 1.00 0.00 C ATOM 1584 O ASP B 28 -2.473 -11.381 0.813 1.00 0.00 O ATOM 1585 CB ASP B 28 -5.398 -11.034 1.937 1.00 0.00 C ATOM 1586 CG ASP B 28 -6.186 -11.643 3.080 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -6.233 -11.036 4.178 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -6.757 -12.736 2.891 1.00 0.00 O ATOM 0 H ASP B 28 -5.100 -8.790 2.949 1.00 0.00 H new ATOM 0 HA ASP B 28 -3.608 -11.226 3.095 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -5.971 -10.219 1.495 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -5.253 -11.782 1.157 1.00 0.00 H new ATOM 1593 N LEU B 29 -2.937 -9.191 0.675 1.00 0.00 N ATOM 1594 CA LEU B 29 -1.956 -8.960 -0.379 1.00 0.00 C ATOM 1595 C LEU B 29 -0.542 -9.124 0.176 1.00 0.00 C ATOM 1596 O LEU B 29 0.350 -9.613 -0.512 1.00 0.00 O ATOM 1597 CB LEU B 29 -2.129 -7.568 -0.995 1.00 0.00 C ATOM 1598 CG LEU B 29 -1.181 -7.239 -2.160 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -1.405 -8.183 -3.336 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -1.369 -5.801 -2.605 1.00 0.00 C ATOM 0 H LEU B 29 -3.484 -8.371 0.938 1.00 0.00 H new ATOM 0 HA LEU B 29 -2.117 -9.698 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.156 -7.470 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -1.987 -6.823 -0.212 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.159 -7.371 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.721 -7.926 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.222 -9.210 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.433 -8.089 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.691 -5.584 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.398 -5.653 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.153 -5.131 -1.772 1.00 0.00 H new ATOM 1612 N ALA B 30 -0.354 -8.723 1.431 1.00 0.00 N ATOM 1613 CA ALA B 30 0.928 -8.883 2.106 1.00 0.00 C ATOM 1614 C ALA B 30 1.195 -10.352 2.433 1.00 0.00 C ATOM 1615 O ALA B 30 2.300 -10.853 2.225 1.00 0.00 O ATOM 1616 CB ALA B 30 0.968 -8.041 3.371 1.00 0.00 C ATOM 0 H ALA B 30 -1.077 -8.284 2.001 1.00 0.00 H new ATOM 0 HA ALA B 30 1.712 -8.539 1.432 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.931 -8.171 3.864 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.831 -6.991 3.114 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.171 -8.357 4.044 1.00 0.00 H new ATOM 1622 N GLU B 31 0.171 -11.041 2.928 1.00 0.00 N ATOM 1623 CA GLU B 31 0.282 -12.451 3.278 1.00 0.00 C ATOM 1624 C GLU B 31 0.528 -13.313 2.035 1.00 0.00 C ATOM 1625 O GLU B 31 1.033 -14.433 2.124 1.00 0.00 O ATOM 1626 CB GLU B 31 -0.994 -12.912 3.978 1.00 0.00 C ATOM 1627 CG GLU B 31 -1.300 -12.174 5.273 1.00 0.00 C ATOM 1628 CD GLU B 31 -0.203 -12.309 6.310 1.00 0.00 C ATOM 1629 OE1 GLU B 31 0.440 -13.380 6.374 1.00 0.00 O ATOM 1630 OE2 GLU B 31 0.001 -11.360 7.087 1.00 0.00 O ATOM 0 H GLU B 31 -0.752 -10.640 3.096 1.00 0.00 H new ATOM 0 HA GLU B 31 1.133 -12.568 3.949 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.834 -12.787 3.295 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -0.912 -13.978 4.192 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.456 -11.118 5.054 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.233 -12.554 5.689 1.00 0.00 H new ATOM 1637 N ASP B 32 0.151 -12.783 0.883 1.00 0.00 N ATOM 1638 CA ASP B 32 0.309 -13.480 -0.388 1.00 0.00 C ATOM 1639 C ASP B 32 1.215 -12.667 -1.310 1.00 0.00 C ATOM 1640 O ASP B 32 1.038 -12.661 -2.524 1.00 0.00 O ATOM 1641 CB ASP B 32 -1.053 -13.748 -1.040 1.00 0.00 C ATOM 1642 CG ASP B 32 -0.968 -14.753 -2.176 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -0.553 -15.904 -1.930 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -1.314 -14.397 -3.323 1.00 0.00 O ATOM 0 H ASP B 32 -0.273 -11.859 0.800 1.00 0.00 H new ATOM 0 HA ASP B 32 0.776 -14.448 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -1.747 -14.116 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -1.461 -12.811 -1.418 1.00 0.00 H new ATOM 1649 N LEU B 33 2.130 -11.922 -0.685 1.00 0.00 N ATOM 1650 CA LEU B 33 3.124 -11.076 -1.368 1.00 0.00 C ATOM 1651 C LEU B 33 3.751 -11.682 -2.619 1.00 0.00 C ATOM 1652 O LEU B 33 3.568 -12.858 -2.934 1.00 0.00 O ATOM 1653 CB LEU B 33 4.161 -10.519 -0.395 1.00 0.00 C ATOM 1654 CG LEU B 33 3.899 -9.062 0.008 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.973 -8.560 0.957 1.00 0.00 C ATOM 1656 CD2 LEU B 33 3.819 -8.172 -1.231 1.00 0.00 C ATOM 0 H LEU B 33 2.206 -11.886 0.332 1.00 0.00 H new ATOM 0 HA LEU B 33 2.549 -10.236 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU B 33 4.177 -11.139 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 33 5.149 -10.590 -0.849 1.00 0.00 H new ATOM 0 HG LEU B 33 2.942 -9.020 0.528 1.00 0.00 H new ATOM 0 HD11 LEU B 33 4.764 -7.525 1.228 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.981 -9.176 1.856 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.946 -8.618 0.469 1.00 0.00 H new ATOM 0 HD21 LEU B 33 3.633 -7.142 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU B 33 4.760 -8.225 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU B 33 3.007 -8.514 -1.873 1.00 0.00 H new ATOM 1668 N PRO B 34 4.611 -10.903 -3.301 1.00 0.00 N ATOM 1669 CA PRO B 34 4.494 -10.630 -4.692 1.00 0.00 C ATOM 1670 C PRO B 34 3.098 -10.870 -5.245 1.00 0.00 C ATOM 1671 O PRO B 34 2.274 -9.981 -5.117 1.00 0.00 O ATOM 1672 CB PRO B 34 5.618 -11.507 -5.205 1.00 0.00 C ATOM 1673 CG PRO B 34 6.693 -11.267 -4.152 1.00 0.00 C ATOM 1674 CD PRO B 34 5.986 -10.606 -2.957 1.00 0.00 C ATOM 0 HA PRO B 34 4.599 -9.590 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO B 34 5.327 -12.556 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO B 34 5.947 -11.212 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO B 34 7.163 -12.205 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO B 34 7.482 -10.624 -4.541 1.00 0.00 H new ATOM 0 HD2 PRO B 34 6.282 -11.040 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO B 34 6.181 -9.535 -2.895 1.00 0.00 H new ATOM 1682 N THR B 35 2.812 -12.063 -5.735 1.00 0.00 N ATOM 1683 CA THR B 35 1.593 -12.333 -6.529 1.00 0.00 C ATOM 1684 C THR B 35 1.138 -11.117 -7.372 1.00 0.00 C ATOM 1685 O THR B 35 1.466 -11.015 -8.555 1.00 0.00 O ATOM 1686 CB THR B 35 0.429 -12.823 -5.639 1.00 0.00 C ATOM 1687 OG1 THR B 35 0.821 -14.007 -4.932 1.00 0.00 O ATOM 1688 CG2 THR B 35 -0.813 -13.125 -6.468 1.00 0.00 C ATOM 0 H THR B 35 3.407 -12.881 -5.603 1.00 0.00 H new ATOM 0 HA THR B 35 1.866 -13.128 -7.223 1.00 0.00 H new ATOM 0 HB THR B 35 0.191 -12.027 -4.933 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.059 -14.350 -4.420 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.614 -13.467 -5.812 1.00 0.00 H new ATOM 0 HG22 THR B 35 -1.132 -12.222 -6.988 1.00 0.00 H new ATOM 0 HG23 THR B 35 -0.584 -13.902 -7.197 1.00 0.00 H new ATOM 1696 N GLY B 36 0.388 -10.204 -6.754 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.055 -8.998 -7.429 1.00 0.00 C ATOM 1698 C GLY B 36 0.610 -7.749 -6.873 1.00 0.00 C ATOM 1699 O GLY B 36 -0.060 -6.755 -6.588 1.00 0.00 O ATOM 0 H GLY B 36 0.078 -10.283 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY B 36 0.163 -9.079 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.137 -8.906 -7.331 1.00 0.00 H new ATOM 1703 N TRP B 37 1.933 -7.805 -6.723 1.00 0.00 N ATOM 1704 CA TRP B 37 2.712 -6.712 -6.144 1.00 0.00 C ATOM 1705 C TRP B 37 2.596 -5.425 -6.954 1.00 0.00 C ATOM 1706 O TRP B 37 2.842 -4.338 -6.434 1.00 0.00 O ATOM 1707 CB TRP B 37 4.190 -7.116 -6.010 1.00 0.00 C ATOM 1708 CG TRP B 37 4.936 -7.222 -7.312 1.00 0.00 C ATOM 1709 CD1 TRP B 37 5.694 -6.248 -7.898 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.012 -8.362 -8.181 1.00 0.00 C ATOM 1711 NE1 TRP B 37 6.229 -6.708 -9.077 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.829 -8.004 -9.270 1.00 0.00 C ATOM 1713 CE3 TRP B 37 4.472 -9.651 -8.142 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.112 -8.885 -10.313 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 4.756 -10.524 -9.174 1.00 0.00 C ATOM 1716 CH2 TRP B 37 5.572 -10.139 -10.246 1.00 0.00 C ATOM 0 H TRP B 37 2.495 -8.610 -7.000 1.00 0.00 H new ATOM 0 HA TRP B 37 2.298 -6.516 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.695 -6.387 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP B 37 4.244 -8.076 -5.497 1.00 0.00 H new ATOM 0 HD1 TRP B 37 5.850 -5.259 -7.493 1.00 0.00 H new ATOM 0 HE1 TRP B 37 6.827 -6.172 -9.706 1.00 0.00 H new ATOM 0 HE3 TRP B 37 3.844 -9.959 -7.319 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.735 -8.588 -11.143 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 4.342 -11.521 -9.154 1.00 0.00 H new ATOM 0 HH2 TRP B 37 5.778 -10.847 -11.035 1.00 0.00 H new ATOM 1727 N ASN B 38 2.217 -5.539 -8.219 1.00 0.00 N ATOM 1728 CA ASN B 38 2.066 -4.361 -9.061 1.00 0.00 C ATOM 1729 C ASN B 38 0.918 -3.490 -8.552 1.00 0.00 C ATOM 1730 O ASN B 38 0.883 -2.283 -8.788 1.00 0.00 O ATOM 1731 CB ASN B 38 1.816 -4.756 -10.519 1.00 0.00 C ATOM 1732 CG ASN B 38 1.966 -3.581 -11.474 1.00 0.00 C ATOM 1733 OD1 ASN B 38 2.761 -2.673 -11.236 1.00 0.00 O ATOM 1734 ND2 ASN B 38 1.209 -3.591 -12.560 1.00 0.00 N ATOM 0 H ASN B 38 2.010 -6.425 -8.681 1.00 0.00 H new ATOM 0 HA ASN B 38 2.994 -3.792 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.514 -5.543 -10.804 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.812 -5.171 -10.613 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.274 -2.828 -13.234 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.561 -4.362 -12.723 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.009 -4.108 -7.824 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.174 -3.402 -7.320 1.00 0.00 C ATOM 1743 C ARG B 39 -0.962 -2.891 -5.901 1.00 0.00 C ATOM 1744 O ARG B 39 -1.868 -2.296 -5.320 1.00 0.00 O ATOM 1745 CB ARG B 39 -2.400 -4.305 -7.344 1.00 0.00 C ATOM 1746 CG ARG B 39 -2.939 -4.589 -8.734 1.00 0.00 C ATOM 1747 CD ARG B 39 -4.347 -5.151 -8.659 1.00 0.00 C ATOM 1748 NE ARG B 39 -4.878 -5.503 -9.972 1.00 0.00 N ATOM 1749 CZ ARG B 39 -5.831 -4.821 -10.602 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -6.268 -3.667 -10.108 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -6.314 -5.272 -11.752 1.00 0.00 N ATOM 0 H ARG B 39 0.028 -5.096 -7.572 1.00 0.00 H new ATOM 0 HA ARG B 39 -1.331 -2.545 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.150 -5.251 -6.864 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.188 -3.844 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -2.939 -3.672 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -2.286 -5.297 -9.245 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -4.349 -6.035 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.003 -4.418 -8.190 1.00 0.00 H new ATOM 0 HE ARG B 39 -4.493 -6.325 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -5.873 -3.300 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -6.999 -3.148 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -5.955 -6.139 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -7.045 -4.752 -12.237 1.00 0.00 H new ATOM 1765 N ILE B 40 0.226 -3.117 -5.341 1.00 0.00 N ATOM 1766 CA ILE B 40 0.515 -2.680 -3.975 1.00 0.00 C ATOM 1767 C ILE B 40 0.279 -1.179 -3.823 1.00 0.00 C ATOM 1768 O ILE B 40 -0.345 -0.732 -2.860 1.00 0.00 O ATOM 1769 CB ILE B 40 1.963 -3.024 -3.547 1.00 0.00 C ATOM 1770 CG1 ILE B 40 2.146 -4.540 -3.444 1.00 0.00 C ATOM 1771 CG2 ILE B 40 2.307 -2.361 -2.218 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.543 -4.960 -3.032 1.00 0.00 C ATOM 0 H ILE B 40 0.997 -3.595 -5.806 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.168 -3.222 -3.321 1.00 0.00 H new ATOM 0 HB ILE B 40 2.641 -2.640 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.430 -4.935 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.910 -4.992 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE B 40 3.329 -2.617 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.218 -1.279 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.621 -2.712 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.596 -6.048 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE B 40 4.263 -4.596 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.776 -4.539 -2.054 1.00 0.00 H new ATOM 1784 N MET B 41 0.750 -0.408 -4.797 1.00 0.00 N ATOM 1785 CA MET B 41 0.597 1.040 -4.758 1.00 0.00 C ATOM 1786 C MET B 41 -0.867 1.435 -4.948 1.00 0.00 C ATOM 1787 O MET B 41 -1.349 2.360 -4.302 1.00 0.00 O ATOM 1788 CB MET B 41 1.471 1.708 -5.822 1.00 0.00 C ATOM 1789 CG MET B 41 1.405 3.230 -5.794 1.00 0.00 C ATOM 1790 SD MET B 41 2.551 4.005 -6.948 1.00 0.00 S ATOM 1791 CE MET B 41 4.123 3.410 -6.323 1.00 0.00 C ATOM 0 H MET B 41 1.239 -0.761 -5.620 1.00 0.00 H new ATOM 0 HA MET B 41 0.924 1.387 -3.778 1.00 0.00 H new ATOM 0 HB2 MET B 41 2.505 1.394 -5.681 1.00 0.00 H new ATOM 0 HB3 MET B 41 1.163 1.357 -6.807 1.00 0.00 H new ATOM 0 HG2 MET B 41 0.390 3.549 -6.030 1.00 0.00 H new ATOM 0 HG3 MET B 41 1.623 3.579 -4.785 1.00 0.00 H new ATOM 0 HE1 MET B 41 4.936 3.928 -6.831 1.00 0.00 H new ATOM 0 HE2 MET B 41 4.184 3.601 -5.252 1.00 0.00 H new ATOM 0 HE3 MET B 41 4.205 2.339 -6.506 1.00 0.00 H new ATOM 1801 N GLU B 42 -1.568 0.714 -5.823 1.00 0.00 N ATOM 1802 CA GLU B 42 -2.981 0.983 -6.086 1.00 0.00 C ATOM 1803 C GLU B 42 -3.796 0.813 -4.814 1.00 0.00 C ATOM 1804 O GLU B 42 -4.520 1.722 -4.395 1.00 0.00 O ATOM 1805 CB GLU B 42 -3.531 0.032 -7.148 1.00 0.00 C ATOM 1806 CG GLU B 42 -4.958 0.362 -7.555 1.00 0.00 C ATOM 1807 CD GLU B 42 -5.661 -0.779 -8.264 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -4.985 -1.737 -8.688 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.904 -0.720 -8.400 1.00 0.00 O ATOM 0 H GLU B 42 -1.180 -0.061 -6.361 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.060 2.009 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -2.890 0.069 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -3.494 -0.989 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.528 0.634 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -4.949 1.235 -8.208 1.00 0.00 H new ATOM 1816 N VAL B 43 -3.667 -0.362 -4.211 1.00 0.00 N ATOM 1817 CA VAL B 43 -4.381 -0.685 -2.984 1.00 0.00 C ATOM 1818 C VAL B 43 -4.065 0.335 -1.900 1.00 0.00 C ATOM 1819 O VAL B 43 -4.970 0.890 -1.284 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.032 -2.101 -2.476 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -4.783 -2.419 -1.191 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -4.335 -3.144 -3.542 1.00 0.00 C ATOM 0 H VAL B 43 -3.069 -1.113 -4.556 1.00 0.00 H new ATOM 0 HA VAL B 43 -5.446 -0.657 -3.213 1.00 0.00 H new ATOM 0 HB VAL B 43 -2.964 -2.127 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -4.520 -3.422 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -4.512 -1.695 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -5.856 -2.368 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -4.082 -4.135 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -5.395 -3.111 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -3.745 -2.934 -4.434 1.00 0.00 H new ATOM 1832 N ALA B 44 -2.779 0.604 -1.700 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.339 1.563 -0.691 1.00 0.00 C ATOM 1834 C ALA B 44 -2.919 2.951 -0.947 1.00 0.00 C ATOM 1835 O ALA B 44 -3.323 3.640 -0.015 1.00 0.00 O ATOM 1836 CB ALA B 44 -0.825 1.637 -0.659 1.00 0.00 C ATOM 0 H ALA B 44 -2.020 0.170 -2.225 1.00 0.00 H new ATOM 0 HA ALA B 44 -2.705 1.215 0.275 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.512 2.356 0.098 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.418 0.655 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.455 1.953 -1.635 1.00 0.00 H new ATOM 1842 N GLU B 45 -2.957 3.348 -2.213 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.493 4.649 -2.611 1.00 0.00 C ATOM 1844 C GLU B 45 -4.956 4.779 -2.204 1.00 0.00 C ATOM 1845 O GLU B 45 -5.360 5.762 -1.572 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.370 4.811 -4.129 1.00 0.00 C ATOM 1847 CG GLU B 45 -3.851 6.152 -4.652 1.00 0.00 C ATOM 1848 CD GLU B 45 -4.082 6.136 -6.149 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -3.116 6.336 -6.910 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -5.242 5.929 -6.573 1.00 0.00 O ATOM 0 H GLU B 45 -2.619 2.782 -2.992 1.00 0.00 H new ATOM 0 HA GLU B 45 -2.921 5.428 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -2.327 4.675 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -3.939 4.019 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -4.777 6.426 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -3.116 6.919 -4.408 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.740 3.774 -2.564 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.169 3.781 -2.300 1.00 0.00 C ATOM 1859 C LYS B 46 -7.463 3.510 -0.825 1.00 0.00 C ATOM 1860 O LYS B 46 -8.453 3.997 -0.283 1.00 0.00 O ATOM 1861 CB LYS B 46 -7.859 2.774 -3.217 1.00 0.00 C ATOM 1862 CG LYS B 46 -7.747 3.175 -4.679 1.00 0.00 C ATOM 1863 CD LYS B 46 -8.184 2.068 -5.618 1.00 0.00 C ATOM 1864 CE LYS B 46 -8.043 2.506 -7.069 1.00 0.00 C ATOM 1865 NZ LYS B 46 -8.439 1.446 -8.030 1.00 0.00 N ATOM 0 H LYS B 46 -5.406 2.938 -3.043 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.568 4.772 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.415 1.789 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.910 2.692 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.357 4.061 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -6.715 3.449 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -7.582 1.176 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.220 1.799 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.656 3.391 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -7.009 2.794 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -8.618 1.872 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -7.673 0.747 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -9.303 0.976 -7.692 1.00 0.00 H new ATOM 1879 N THR B 47 -6.588 2.751 -0.177 1.00 0.00 N ATOM 1880 CA THR B 47 -6.696 2.517 1.257 1.00 0.00 C ATOM 1881 C THR B 47 -6.389 3.798 2.029 1.00 0.00 C ATOM 1882 O THR B 47 -7.123 4.174 2.945 1.00 0.00 O ATOM 1883 CB THR B 47 -5.735 1.400 1.722 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.001 0.193 1.003 1.00 0.00 O ATOM 1885 CG2 THR B 47 -5.880 1.138 3.212 1.00 0.00 C ATOM 0 H THR B 47 -5.796 2.287 -0.622 1.00 0.00 H new ATOM 0 HA THR B 47 -7.719 2.201 1.460 1.00 0.00 H new ATOM 0 HB THR B 47 -4.716 1.731 1.523 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.402 0.134 0.230 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.192 0.347 3.511 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.650 2.048 3.766 1.00 0.00 H new ATOM 0 HG23 THR B 47 -6.903 0.830 3.429 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.307 4.472 1.645 1.00 0.00 N ATOM 1894 CA TYR B 48 -4.901 5.701 2.308 1.00 0.00 C ATOM 1895 C TYR B 48 -5.980 6.763 2.182 1.00 0.00 C ATOM 1896 O TYR B 48 -6.346 7.391 3.170 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.587 6.236 1.740 1.00 0.00 C ATOM 1898 CG TYR B 48 -3.157 7.548 2.369 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.746 7.601 3.695 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -3.176 8.732 1.643 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -2.365 8.795 4.276 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.795 9.930 2.220 1.00 0.00 C ATOM 1903 CZ TYR B 48 -2.391 9.955 3.537 1.00 0.00 C ATOM 1904 OH TYR B 48 -2.007 11.144 4.120 1.00 0.00 O ATOM 0 H TYR B 48 -4.699 4.185 0.878 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.751 5.465 3.362 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.804 5.493 1.891 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.692 6.373 0.664 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.724 6.694 4.281 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.494 8.717 0.611 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.047 8.818 5.308 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.814 10.841 1.641 1.00 0.00 H new ATOM 0 HH TYR B 48 -1.110 11.046 4.503 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.486 6.963 0.967 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.548 7.941 0.747 1.00 0.00 C ATOM 1916 C GLU B 49 -8.757 7.618 1.617 1.00 0.00 C ATOM 1917 O GLU B 49 -9.302 8.496 2.287 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.980 7.980 -0.717 1.00 0.00 C ATOM 1919 CG GLU B 49 -8.990 9.084 -1.003 1.00 0.00 C ATOM 1920 CD GLU B 49 -9.465 9.107 -2.440 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -10.465 8.425 -2.750 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -8.861 9.833 -3.258 1.00 0.00 O ATOM 0 H GLU B 49 -6.182 6.467 0.129 1.00 0.00 H new ATOM 0 HA GLU B 49 -7.149 8.919 1.018 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.102 8.124 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.413 7.018 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -9.850 8.958 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -8.542 10.048 -0.761 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.152 6.350 1.606 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.289 5.886 2.393 1.00 0.00 C ATOM 1931 C ALA B 50 -10.111 6.201 3.875 1.00 0.00 C ATOM 1932 O ALA B 50 -11.004 6.765 4.501 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.499 4.392 2.190 1.00 0.00 C ATOM 0 H ALA B 50 -8.698 5.620 1.057 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.174 6.419 2.045 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.351 4.060 2.784 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.691 4.191 1.136 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.606 3.853 2.505 1.00 0.00 H new ATOM 1939 N TYR B 51 -8.955 5.850 4.427 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.683 6.076 5.843 1.00 0.00 C ATOM 1941 C TYR B 51 -8.442 7.551 6.150 1.00 0.00 C ATOM 1942 O TYR B 51 -8.798 8.026 7.228 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.495 5.232 6.308 1.00 0.00 C ATOM 1944 CG TYR B 51 -7.889 3.829 6.714 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -7.928 2.792 5.789 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -8.233 3.547 8.027 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -8.301 1.513 6.164 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -8.604 2.274 8.410 1.00 0.00 C ATOM 1949 CZ TYR B 51 -8.638 1.261 7.478 1.00 0.00 C ATOM 1950 OH TYR B 51 -9.008 -0.008 7.864 1.00 0.00 O ATOM 0 H TYR B 51 -8.191 5.408 3.916 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.571 5.767 6.395 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.758 5.179 5.506 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.013 5.727 7.151 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.663 2.988 4.761 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -8.210 4.337 8.763 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.328 0.718 5.433 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -8.867 2.073 9.438 1.00 0.00 H new ATOM 0 HH TYR B 51 -9.212 -0.012 8.823 1.00 0.00 H new ATOM 1960 N ARG B 52 -7.841 8.272 5.215 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.657 9.710 5.370 1.00 0.00 C ATOM 1962 C ARG B 52 -9.013 10.400 5.453 1.00 0.00 C ATOM 1963 O ARG B 52 -9.267 11.173 6.375 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.840 10.282 4.204 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.758 11.802 4.186 1.00 0.00 C ATOM 1966 CD ARG B 52 -6.145 12.355 5.466 1.00 0.00 C ATOM 1967 NE ARG B 52 -4.734 11.995 5.612 1.00 0.00 N ATOM 1968 CZ ARG B 52 -4.135 11.796 6.788 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -4.838 11.867 7.915 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -2.834 11.523 6.827 1.00 0.00 N ATOM 0 H ARG B 52 -7.473 7.888 4.344 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.107 9.893 6.293 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.830 9.875 4.249 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -7.279 9.942 3.266 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -6.163 12.123 3.331 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -7.757 12.218 4.053 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -6.242 13.441 5.472 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -6.703 11.980 6.324 1.00 0.00 H new ATOM 0 HE ARG B 52 -4.175 11.890 4.765 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -5.836 12.074 7.881 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -4.379 11.715 8.813 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -2.299 11.467 5.961 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -2.372 11.370 7.723 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.881 10.100 4.496 1.00 0.00 N ATOM 1985 CA GLN B 53 -11.224 10.662 4.467 1.00 0.00 C ATOM 1986 C GLN B 53 -12.015 10.157 5.670 1.00 0.00 C ATOM 1987 O GLN B 53 -12.831 10.878 6.226 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.925 10.268 3.159 1.00 0.00 C ATOM 1989 CG GLN B 53 -12.791 11.361 2.535 1.00 0.00 C ATOM 1990 CD GLN B 53 -14.005 11.722 3.367 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -15.060 11.103 3.246 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -13.879 12.749 4.188 1.00 0.00 N ATOM 0 H GLN B 53 -9.676 9.466 3.724 1.00 0.00 H new ATOM 0 HA GLN B 53 -11.165 11.749 4.516 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.168 9.968 2.435 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.549 9.395 3.348 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -12.184 12.254 2.387 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -13.121 11.033 1.549 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -12.986 13.237 4.261 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -14.674 13.054 4.749 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.750 8.919 6.076 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.402 8.339 7.242 1.00 0.00 C ATOM 2003 C LEU B 54 -12.053 9.127 8.502 1.00 0.00 C ATOM 2004 O LEU B 54 -12.937 9.524 9.253 1.00 0.00 O ATOM 2005 CB LEU B 54 -11.990 6.874 7.409 1.00 0.00 C ATOM 2006 CG LEU B 54 -12.705 6.115 8.529 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -14.202 6.046 8.263 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -12.124 4.717 8.676 1.00 0.00 C ATOM 0 H LEU B 54 -11.087 8.298 5.613 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.480 8.387 7.089 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.170 6.354 6.468 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -10.917 6.835 7.594 1.00 0.00 H new ATOM 0 HG LEU B 54 -12.550 6.655 9.463 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -14.691 5.502 9.072 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.609 7.056 8.207 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.380 5.531 7.319 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -12.643 4.190 9.476 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.249 4.171 7.741 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -11.063 4.787 8.916 1.00 0.00 H new ATOM 2020 N ASP B 55 -10.761 9.357 8.719 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.296 10.116 9.882 1.00 0.00 C ATOM 2022 C ASP B 55 -10.799 11.551 9.827 1.00 0.00 C ATOM 2023 O ASP B 55 -11.180 12.127 10.847 1.00 0.00 O ATOM 2024 CB ASP B 55 -8.765 10.096 9.955 1.00 0.00 C ATOM 2025 CG ASP B 55 -8.218 10.918 11.109 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -8.359 10.485 12.274 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -7.627 11.988 10.859 1.00 0.00 O ATOM 0 H ASP B 55 -10.015 9.029 8.106 1.00 0.00 H new ATOM 0 HA ASP B 55 -10.698 9.644 10.779 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.424 9.065 10.056 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.357 10.476 9.019 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.822 12.104 8.626 1.00 0.00 N ATOM 2033 CA GLU B 56 -11.284 13.466 8.404 1.00 0.00 C ATOM 2034 C GLU B 56 -12.787 13.574 8.617 1.00 0.00 C ATOM 2035 O GLU B 56 -13.269 14.511 9.251 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.907 13.916 6.990 1.00 0.00 C ATOM 2037 CG GLU B 56 -9.429 14.243 6.827 1.00 0.00 C ATOM 2038 CD GLU B 56 -9.027 15.535 7.514 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -9.058 15.597 8.759 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -8.655 16.492 6.808 1.00 0.00 O ATOM 0 H GLU B 56 -10.522 11.623 7.778 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.798 14.121 9.127 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.177 13.130 6.284 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.496 14.795 6.729 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.835 13.423 7.231 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.194 14.314 5.765 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.531 12.614 8.099 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.969 12.587 8.302 1.00 0.00 C ATOM 2049 C PHE B 57 -15.274 12.296 9.766 1.00 0.00 C ATOM 2050 O PHE B 57 -16.244 12.802 10.322 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.621 11.537 7.401 1.00 0.00 C ATOM 2052 CG PHE B 57 -17.122 11.569 7.431 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.820 12.493 6.670 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.834 10.684 8.225 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.197 12.533 6.699 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -19.213 10.721 8.259 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.895 11.647 7.495 1.00 0.00 C ATOM 0 H PHE B 57 -13.166 11.845 7.537 1.00 0.00 H new ATOM 0 HA PHE B 57 -15.381 13.561 8.039 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.283 11.689 6.376 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.281 10.547 7.705 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.279 13.190 6.047 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -17.304 9.958 8.823 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -19.730 13.257 6.100 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.758 10.027 8.882 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.974 11.678 7.520 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.416 11.492 10.379 1.00 0.00 N ATOM 2068 CA ARG B 58 -14.535 11.148 11.789 1.00 0.00 C ATOM 2069 C ARG B 58 -14.546 12.408 12.649 1.00 0.00 C ATOM 2070 O ARG B 58 -15.433 12.594 13.479 1.00 0.00 O ATOM 2071 CB ARG B 58 -13.375 10.237 12.189 1.00 0.00 C ATOM 2072 CG ARG B 58 -13.471 9.692 13.598 1.00 0.00 C ATOM 2073 CD ARG B 58 -12.339 8.722 13.893 1.00 0.00 C ATOM 2074 NE ARG B 58 -12.521 8.034 15.168 1.00 0.00 N ATOM 2075 CZ ARG B 58 -11.991 6.847 15.452 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -11.170 6.259 14.586 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -12.264 6.268 16.616 1.00 0.00 N ATOM 0 H ARG B 58 -13.618 11.060 9.913 1.00 0.00 H new ATOM 0 HA ARG B 58 -15.476 10.622 11.950 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -13.327 9.401 11.491 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -12.442 10.791 12.089 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -13.442 10.516 14.311 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -14.428 9.188 13.731 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -12.275 7.987 13.091 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -11.393 9.263 13.906 1.00 0.00 H new ATOM 0 HE ARG B 58 -13.088 8.490 15.883 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -10.946 6.718 13.703 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -10.764 5.349 14.805 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -12.877 6.733 17.286 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -11.861 5.358 16.840 1.00 0.00 H new ATOM 2091 N LYS B 59 -13.570 13.281 12.428 1.00 0.00 N ATOM 2092 CA LYS B 59 -13.500 14.539 13.169 1.00 0.00 C ATOM 2093 C LYS B 59 -14.615 15.493 12.753 1.00 0.00 C ATOM 2094 O LYS B 59 -15.175 16.203 13.589 1.00 0.00 O ATOM 2095 CB LYS B 59 -12.136 15.202 13.020 1.00 0.00 C ATOM 2096 CG LYS B 59 -11.492 15.040 11.661 1.00 0.00 C ATOM 2097 CD LYS B 59 -10.125 15.681 11.643 1.00 0.00 C ATOM 2098 CE LYS B 59 -10.231 17.187 11.575 1.00 0.00 C ATOM 2099 NZ LYS B 59 -10.248 17.669 10.168 1.00 0.00 N ATOM 0 H LYS B 59 -12.822 13.145 11.749 1.00 0.00 H new ATOM 0 HA LYS B 59 -13.640 14.299 14.223 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -12.241 16.266 13.231 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.465 14.792 13.775 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -11.407 13.981 11.416 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -12.123 15.494 10.897 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.573 15.392 12.537 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -9.559 15.314 10.787 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -11.139 17.512 12.083 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.391 17.636 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -9.823 18.617 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -9.703 17.015 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -11.230 17.712 9.828 1.00 0.00 H new ATOM 2113 N SER B 60 -14.950 15.490 11.469 1.00 0.00 N ATOM 2114 CA SER B 60 -16.029 16.330 10.953 1.00 0.00 C ATOM 2115 C SER B 60 -17.369 15.970 11.596 1.00 0.00 C ATOM 2116 O SER B 60 -18.072 16.837 12.118 1.00 0.00 O ATOM 2117 CB SER B 60 -16.128 16.197 9.430 1.00 0.00 C ATOM 2118 OG SER B 60 -14.891 16.507 8.810 1.00 0.00 O ATOM 0 H SER B 60 -14.491 14.915 10.763 1.00 0.00 H new ATOM 0 HA SER B 60 -15.795 17.364 11.207 1.00 0.00 H new ATOM 0 HB2 SER B 60 -16.425 15.181 9.169 1.00 0.00 H new ATOM 0 HB3 SER B 60 -16.904 16.863 9.053 1.00 0.00 H new ATOM 0 HG SER B 60 -14.221 15.839 9.065 1.00 0.00 H new ATOM 2124 N THR B 61 -17.702 14.688 11.580 1.00 0.00 N ATOM 2125 CA THR B 61 -18.977 14.228 12.111 1.00 0.00 C ATOM 2126 C THR B 61 -18.992 14.339 13.638 1.00 0.00 C ATOM 2127 O THR B 61 -20.047 14.482 14.248 1.00 0.00 O ATOM 2128 CB THR B 61 -19.296 12.777 11.660 1.00 0.00 C ATOM 2129 OG1 THR B 61 -20.705 12.530 11.745 1.00 0.00 O ATOM 2130 CG2 THR B 61 -18.555 11.744 12.496 1.00 0.00 C ATOM 0 H THR B 61 -17.108 13.948 11.206 1.00 0.00 H new ATOM 0 HA THR B 61 -19.757 14.873 11.707 1.00 0.00 H new ATOM 0 HB THR B 61 -18.962 12.681 10.627 1.00 0.00 H new ATOM 0 HG1 THR B 61 -20.894 11.613 11.457 1.00 0.00 H new ATOM 0 HG21 THR B 61 -18.808 10.743 12.146 1.00 0.00 H new ATOM 0 HG22 THR B 61 -17.481 11.901 12.400 1.00 0.00 H new ATOM 0 HG23 THR B 61 -18.845 11.846 13.542 1.00 0.00 H new