USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1197 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: B 60 ASN : amide:sc= 0.201 K(o=0.65,f=-2!) USER MOD Set 1.2: B 62 GLN : amide:sc= 0.452 K(o=0.65,f=-0.82) USER MOD Set 2.1: B 48 LYS NZ :NH3+ 145:sc= 0.264 (180deg=-0.419) USER MOD Set 2.2: B 59 TYR OH : rot -49:sc= 0.706 USER MOD Set 3.1: B 55 THR OG1 : rot -74:sc= 1.68 USER MOD Set 3.2: B 57 SER OG : rot 58:sc= 0.702 USER MOD Set 4.1: A 49 GLN : amide:sc= 0.738 K(o=1.5,f=-1.1!) USER MOD Set 4.2: B 49 GLN : amide:sc= 0.728 K(o=1.5,f=-7.5!) USER MOD Set 5.1: B 7 THR OG1 : rot 119:sc= 1.06 USER MOD Set 5.2: B 9 THR OG1 : rot -68:sc= 0.25 USER MOD Set 6.1: B 6 LYS NZ :NH3+ 136:sc= 1.21 (180deg=-0.0169) USER MOD Set 6.2: B 66 THR OG1 : rot 141:sc= 1.03 USER MOD Set 7.1: A 55 THR OG1 : rot -56:sc= 1.02 USER MOD Set 7.2: A 57 SER OG : rot -87:sc= 1.34 USER MOD Set 8.1: A 7 THR OG1 : rot 20:sc= 0.593 USER MOD Set 8.2: A 9 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.0763 (180deg=-0.0829) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.47 (180deg=2.46) USER MOD Single : A 2 GLN : amide:sc= 1.21 K(o=1.2,f=-0.026) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.12 (180deg=0.64) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.209 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 140:sc= 1.24 USER MOD Single : A 25 ASN : amide:sc= 0.927 K(o=0.93,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.03 (180deg=0.967) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= 1.14 (180deg=0.848) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00111 (180deg=-0.0682) USER MOD Single : A 40 GLN : amide:sc= 1.05 K(o=1,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= -1.05! C(o=-1.1!,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0.0897 (180deg=-0.124) USER MOD Single : A 59 TYR OH : rot 10:sc= 2.1 USER MOD Single : A 60 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-0.00973 (180deg=-0.171) USER MOD Single : A 65 SER OG : rot 77:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -168:sc= -0.215 (180deg=-0.466) USER MOD Single : B 1 MET N :NH3+ 174:sc= 2.25 (180deg=2.01) USER MOD Single : B 2 GLN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.22) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 155:sc= 0.205 USER MOD Single : B 25 ASN : amide:sc= 0.996 K(o=1,f=-2!) USER MOD Single : B 27 LYS NZ :NH3+ -166:sc= 1.08 (180deg=0.157) USER MOD Single : B 29 LYS NZ :NH3+ -129:sc= 1.14 (180deg=0.916) USER MOD Single : B 31 GLN : amide:sc= -1.97! C(o=-2!,f=-2.5!) USER MOD Single : B 33 LYS NZ :NH3+ 155:sc= 0.759 (180deg=0.437) USER MOD Single : B 40 GLN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : B 41 GLN : amide:sc=-0.00872 K(o=-0.0087,f=-7.5!) USER MOD Single : B 63 LYS NZ :NH3+ 159:sc= -0.0646 (180deg=-0.396) USER MOD Single : B 65 SER OG : rot 117:sc= 1.05 USER MOD Single : B 68 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.642 23.132 5.745 1.00 0.86 N ATOM 2 CA MET A 1 -4.932 22.413 5.787 1.00 0.85 C ATOM 3 C MET A 1 -4.792 21.133 6.593 1.00 0.82 C ATOM 4 O MET A 1 -3.759 20.462 6.543 1.00 0.77 O ATOM 5 CB MET A 1 -5.438 22.108 4.370 1.00 0.81 C ATOM 6 CG MET A 1 -4.558 21.157 3.571 1.00 0.73 C ATOM 7 SD MET A 1 -5.219 20.841 1.924 1.00 0.79 S ATOM 8 CE MET A 1 -3.989 19.714 1.273 1.00 0.71 C ATOM 0 H1 MET A 1 -3.758 24.022 5.220 1.00 0.86 H new ATOM 0 H2 MET A 1 -3.329 23.340 6.715 1.00 0.86 H new ATOM 0 H3 MET A 1 -2.930 22.541 5.271 1.00 0.86 H new ATOM 0 HA MET A 1 -5.667 23.054 6.274 1.00 0.85 H new ATOM 0 HB2 MET A 1 -6.439 21.682 4.440 1.00 0.81 H new ATOM 0 HB3 MET A 1 -5.528 23.046 3.821 1.00 0.81 H new ATOM 0 HG2 MET A 1 -3.556 21.578 3.484 1.00 0.73 H new ATOM 0 HG3 MET A 1 -4.462 20.214 4.109 1.00 0.73 H new ATOM 0 HE1 MET A 1 -4.250 19.441 0.251 1.00 0.71 H new ATOM 0 HE2 MET A 1 -3.012 20.197 1.281 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.955 18.817 1.891 1.00 0.71 H new ATOM 20 N GLN A 2 -5.837 20.809 7.338 1.00 0.85 N ATOM 21 CA GLN A 2 -5.849 19.629 8.188 1.00 0.84 C ATOM 22 C GLN A 2 -6.143 18.359 7.391 1.00 0.75 C ATOM 23 O GLN A 2 -6.976 18.357 6.484 1.00 0.76 O ATOM 24 CB GLN A 2 -6.890 19.814 9.296 1.00 0.95 C ATOM 25 CG GLN A 2 -7.171 18.559 10.107 1.00 1.04 C ATOM 26 CD GLN A 2 -8.091 18.822 11.280 1.00 1.15 C ATOM 27 OE1 GLN A 2 -7.635 19.066 12.397 1.00 1.32 O ATOM 28 NE2 GLN A 2 -9.389 18.789 11.036 1.00 1.48 N ATOM 0 H GLN A 2 -6.698 21.355 7.371 1.00 0.85 H new ATOM 0 HA GLN A 2 -4.858 19.513 8.627 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -6.550 20.600 9.971 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -7.822 20.160 8.849 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -7.619 17.805 9.460 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -6.230 18.148 10.472 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -9.726 18.583 10.096 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -10.054 18.970 11.788 1.00 1.48 H new ATOM 37 N ILE A 3 -5.457 17.284 7.763 1.00 0.67 N ATOM 38 CA ILE A 3 -5.619 15.979 7.134 1.00 0.59 C ATOM 39 C ILE A 3 -5.488 14.898 8.198 1.00 0.56 C ATOM 40 O ILE A 3 -4.887 15.128 9.251 1.00 0.59 O ATOM 41 CB ILE A 3 -4.579 15.706 6.017 1.00 0.52 C ATOM 42 CG1 ILE A 3 -3.152 15.871 6.550 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.818 16.614 4.818 1.00 0.54 C ATOM 44 CD1 ILE A 3 -2.122 15.091 5.762 1.00 0.44 C ATOM 0 H ILE A 3 -4.768 17.294 8.515 1.00 0.67 H new ATOM 0 HA ILE A 3 -6.605 15.969 6.669 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.700 14.674 5.688 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.886 16.928 6.535 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -3.122 15.550 7.591 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -4.076 16.403 4.048 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.816 16.434 4.419 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -4.734 17.656 5.128 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -1.134 15.253 6.194 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -2.364 14.029 5.798 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -2.125 15.428 4.726 1.00 0.44 H new ATOM 56 N PHE A 4 -6.046 13.731 7.930 1.00 0.54 N ATOM 57 CA PHE A 4 -5.991 12.626 8.876 1.00 0.55 C ATOM 58 C PHE A 4 -5.374 11.400 8.225 1.00 0.53 C ATOM 59 O PHE A 4 -5.889 10.894 7.228 1.00 0.56 O ATOM 60 CB PHE A 4 -7.393 12.283 9.391 1.00 0.59 C ATOM 61 CG PHE A 4 -7.999 13.344 10.263 1.00 0.73 C ATOM 62 CD1 PHE A 4 -8.742 14.373 9.711 1.00 0.96 C ATOM 63 CD2 PHE A 4 -7.823 13.310 11.636 1.00 0.79 C ATOM 64 CE1 PHE A 4 -9.300 15.350 10.513 1.00 1.11 C ATOM 65 CE2 PHE A 4 -8.379 14.283 12.442 1.00 0.98 C ATOM 66 CZ PHE A 4 -9.118 15.305 11.880 1.00 1.08 C ATOM 0 H PHE A 4 -6.544 13.522 7.064 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.371 12.934 9.718 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -8.050 12.109 8.539 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.345 11.350 9.952 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -8.887 14.413 8.642 1.00 0.96 H new ATOM 0 HD2 PHE A 4 -7.245 12.514 12.081 1.00 0.79 H new ATOM 0 HE1 PHE A 4 -9.878 16.148 10.070 1.00 1.11 H new ATOM 0 HE2 PHE A 4 -8.236 14.245 13.512 1.00 0.98 H new ATOM 0 HZ PHE A 4 -9.553 16.068 12.509 1.00 1.08 H new ATOM 76 N VAL A 5 -4.268 10.928 8.775 1.00 0.53 N ATOM 77 CA VAL A 5 -3.600 9.752 8.245 1.00 0.54 C ATOM 78 C VAL A 5 -3.795 8.580 9.197 1.00 0.57 C ATOM 79 O VAL A 5 -3.261 8.576 10.308 1.00 0.62 O ATOM 80 CB VAL A 5 -2.087 9.997 8.035 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.430 8.797 7.371 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.852 11.260 7.215 1.00 0.49 C ATOM 0 H VAL A 5 -3.814 11.342 9.589 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.043 9.527 7.275 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.630 10.136 9.015 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.367 8.994 7.234 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.558 7.917 8.001 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -1.894 8.619 6.401 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.781 11.412 7.080 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.329 11.155 6.241 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.277 12.117 7.737 1.00 0.49 H new ATOM 92 N LYS A 6 -4.597 7.610 8.782 1.00 0.58 N ATOM 93 CA LYS A 6 -4.870 6.439 9.601 1.00 0.61 C ATOM 94 C LYS A 6 -4.166 5.211 9.042 1.00 0.57 C ATOM 95 O LYS A 6 -4.389 4.827 7.892 1.00 0.56 O ATOM 96 CB LYS A 6 -6.377 6.171 9.665 1.00 0.68 C ATOM 97 CG LYS A 6 -7.202 7.395 10.020 1.00 0.70 C ATOM 98 CD LYS A 6 -8.690 7.083 10.049 1.00 0.83 C ATOM 99 CE LYS A 6 -9.502 8.302 10.455 1.00 1.43 C ATOM 100 NZ LYS A 6 -10.952 7.995 10.588 1.00 1.82 N ATOM 0 H LYS A 6 -5.072 7.612 7.879 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.493 6.639 10.604 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -6.710 5.787 8.701 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.567 5.390 10.401 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.891 7.773 10.994 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -7.010 8.186 9.295 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.011 6.741 9.065 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.879 6.268 10.748 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -9.126 8.687 11.403 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -9.366 9.090 9.714 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -11.465 8.856 10.866 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -11.319 7.652 9.677 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -11.087 7.262 11.314 1.00 1.82 H new ATOM 114 N THR A 7 -3.310 4.603 9.845 1.00 0.59 N ATOM 115 CA THR A 7 -2.607 3.408 9.422 1.00 0.58 C ATOM 116 C THR A 7 -3.511 2.199 9.632 1.00 0.61 C ATOM 117 O THR A 7 -4.423 2.238 10.464 1.00 0.67 O ATOM 118 CB THR A 7 -1.267 3.220 10.181 1.00 0.60 C ATOM 119 OG1 THR A 7 -0.484 2.184 9.580 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.496 2.872 11.638 1.00 0.94 C ATOM 0 H THR A 7 -3.087 4.917 10.789 1.00 0.59 H new ATOM 0 HA THR A 7 -2.360 3.512 8.365 1.00 0.58 H new ATOM 0 HB THR A 7 -0.734 4.169 10.121 1.00 0.60 H new ATOM 0 HG1 THR A 7 -0.786 2.038 8.659 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.535 2.748 12.138 1.00 0.94 H new ATOM 0 HG22 THR A 7 -2.055 3.674 12.120 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.063 1.943 11.706 1.00 0.94 H new ATOM 128 N LEU A 8 -3.277 1.139 8.869 1.00 0.63 N ATOM 129 CA LEU A 8 -4.078 -0.076 8.981 1.00 0.69 C ATOM 130 C LEU A 8 -3.894 -0.710 10.354 1.00 0.72 C ATOM 131 O LEU A 8 -4.744 -1.469 10.823 1.00 0.82 O ATOM 132 CB LEU A 8 -3.693 -1.079 7.895 1.00 0.78 C ATOM 133 CG LEU A 8 -4.768 -1.366 6.845 1.00 0.95 C ATOM 134 CD1 LEU A 8 -4.193 -2.198 5.709 1.00 1.58 C ATOM 135 CD2 LEU A 8 -5.955 -2.081 7.473 1.00 1.89 C ATOM 0 H LEU A 8 -2.540 1.095 8.166 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.125 0.197 8.852 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -2.803 -0.711 7.385 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.420 -2.019 8.375 1.00 0.78 H new ATOM 0 HG LEU A 8 -5.113 -0.414 6.441 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -4.971 -2.393 4.971 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -3.374 -1.654 5.238 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -3.821 -3.144 6.103 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -6.708 -2.276 6.709 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -5.624 -3.025 7.905 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -6.385 -1.455 8.255 1.00 1.89 H new ATOM 147 N THR A 9 -2.773 -0.395 10.986 1.00 0.67 N ATOM 148 CA THR A 9 -2.453 -0.914 12.301 1.00 0.72 C ATOM 149 C THR A 9 -3.328 -0.273 13.386 1.00 0.79 C ATOM 150 O THR A 9 -3.574 -0.879 14.431 1.00 0.93 O ATOM 151 CB THR A 9 -0.966 -0.679 12.609 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.239 -0.555 11.376 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.391 -1.826 13.426 1.00 0.80 C ATOM 0 H THR A 9 -2.063 0.227 10.600 1.00 0.67 H new ATOM 0 HA THR A 9 -2.657 -1.985 12.301 1.00 0.72 H new ATOM 0 HB THR A 9 -0.873 0.238 13.191 1.00 0.67 H new ATOM 0 HG1 THR A 9 0.710 -0.403 11.569 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.662 -1.635 13.630 1.00 0.80 H new ATOM 0 HG22 THR A 9 -0.934 -1.910 14.368 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.489 -2.756 12.866 1.00 0.80 H new ATOM 161 N GLY A 10 -3.811 0.944 13.132 1.00 0.77 N ATOM 162 CA GLY A 10 -4.661 1.616 14.101 1.00 0.89 C ATOM 163 C GLY A 10 -4.302 3.077 14.330 1.00 0.91 C ATOM 164 O GLY A 10 -5.190 3.927 14.431 1.00 1.31 O ATOM 0 H GLY A 10 -3.630 1.472 12.278 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -5.696 1.555 13.765 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -4.602 1.085 15.051 1.00 0.89 H new ATOM 168 N LYS A 11 -3.006 3.362 14.421 1.00 0.91 N ATOM 169 CA LYS A 11 -2.509 4.722 14.665 1.00 0.92 C ATOM 170 C LYS A 11 -3.106 5.752 13.699 1.00 0.82 C ATOM 171 O LYS A 11 -3.074 5.585 12.479 1.00 0.78 O ATOM 172 CB LYS A 11 -0.975 4.744 14.578 1.00 0.92 C ATOM 173 CG LYS A 11 -0.360 6.141 14.605 1.00 1.03 C ATOM 174 CD LYS A 11 -0.552 6.832 15.949 1.00 1.32 C ATOM 175 CE LYS A 11 0.274 6.179 17.049 1.00 1.41 C ATOM 176 NZ LYS A 11 1.728 6.181 16.742 1.00 1.51 N ATOM 0 H LYS A 11 -2.269 2.663 14.329 1.00 0.91 H new ATOM 0 HA LYS A 11 -2.827 5.004 15.669 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -0.568 4.165 15.407 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -0.668 4.243 13.660 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.705 6.071 14.384 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.809 6.748 13.819 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -0.272 7.882 15.860 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -1.607 6.805 16.223 1.00 1.32 H new ATOM 0 HE2 LYS A 11 0.103 6.704 17.989 1.00 1.41 H new ATOM 0 HE3 LYS A 11 -0.063 5.152 17.192 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 2.269 6.068 17.623 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.948 5.395 16.097 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 1.986 7.082 16.291 1.00 1.51 H new ATOM 190 N THR A 12 -3.660 6.810 14.278 1.00 0.80 N ATOM 191 CA THR A 12 -4.249 7.903 13.522 1.00 0.74 C ATOM 192 C THR A 12 -3.551 9.207 13.903 1.00 0.75 C ATOM 193 O THR A 12 -3.275 9.439 15.081 1.00 0.79 O ATOM 194 CB THR A 12 -5.759 8.013 13.810 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.399 6.763 13.513 1.00 0.74 O ATOM 196 CG2 THR A 12 -6.402 9.131 12.997 1.00 0.70 C ATOM 0 H THR A 12 -3.713 6.932 15.289 1.00 0.80 H new ATOM 0 HA THR A 12 -4.118 7.710 12.457 1.00 0.74 H new ATOM 0 HB THR A 12 -5.887 8.251 14.866 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.359 6.835 13.698 1.00 0.74 H new ATOM 0 HG21 THR A 12 -7.467 9.180 13.225 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.932 10.081 13.250 1.00 0.70 H new ATOM 0 HG23 THR A 12 -6.267 8.932 11.934 1.00 0.70 H new ATOM 204 N ILE A 13 -3.257 10.052 12.923 1.00 0.77 N ATOM 205 CA ILE A 13 -2.577 11.313 13.194 1.00 0.85 C ATOM 206 C ILE A 13 -3.203 12.461 12.414 1.00 0.75 C ATOM 207 O ILE A 13 -3.879 12.250 11.406 1.00 0.68 O ATOM 208 CB ILE A 13 -1.070 11.247 12.864 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.855 10.748 11.434 1.00 1.10 C ATOM 210 CG2 ILE A 13 -0.344 10.357 13.861 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.592 10.773 10.993 1.00 1.24 C ATOM 0 H ILE A 13 -3.477 9.889 11.940 1.00 0.77 H new ATOM 0 HA ILE A 13 -2.692 11.493 14.263 1.00 0.85 H new ATOM 0 HB ILE A 13 -0.656 12.252 12.940 1.00 1.03 H new ATOM 0 HG12 ILE A 13 -1.233 9.729 11.354 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -1.444 11.361 10.752 1.00 1.10 H new ATOM 0 HG21 ILE A 13 0.717 10.322 13.613 1.00 1.31 H new ATOM 0 HG22 ILE A 13 -0.468 10.760 14.866 1.00 1.31 H new ATOM 0 HG23 ILE A 13 -0.759 9.350 13.820 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.667 10.406 9.970 1.00 1.24 H new ATOM 0 HD12 ILE A 13 0.969 11.795 11.040 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.184 10.137 11.651 1.00 1.24 H new ATOM 223 N THR A 14 -2.976 13.671 12.901 1.00 0.80 N ATOM 224 CA THR A 14 -3.494 14.876 12.275 1.00 0.79 C ATOM 225 C THR A 14 -2.344 15.808 11.911 1.00 0.78 C ATOM 226 O THR A 14 -1.594 16.245 12.782 1.00 0.84 O ATOM 227 CB THR A 14 -4.461 15.601 13.227 1.00 0.91 C ATOM 228 OG1 THR A 14 -5.242 14.635 13.941 1.00 1.31 O ATOM 229 CG2 THR A 14 -5.377 16.544 12.465 1.00 1.07 C ATOM 0 H THR A 14 -2.427 13.845 13.743 1.00 0.80 H new ATOM 0 HA THR A 14 -4.032 14.593 11.370 1.00 0.79 H new ATOM 0 HB THR A 14 -3.875 16.194 13.929 1.00 0.91 H new ATOM 0 HG1 THR A 14 -6.120 14.544 13.514 1.00 1.31 H new ATOM 0 HG21 THR A 14 -6.049 17.042 13.164 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.778 17.290 11.943 1.00 1.07 H new ATOM 0 HG23 THR A 14 -5.962 15.977 11.741 1.00 1.07 H new ATOM 237 N LEU A 15 -2.198 16.099 10.627 1.00 0.73 N ATOM 238 CA LEU A 15 -1.122 16.965 10.166 1.00 0.75 C ATOM 239 C LEU A 15 -1.666 18.207 9.472 1.00 0.77 C ATOM 240 O LEU A 15 -2.786 18.208 8.958 1.00 0.77 O ATOM 241 CB LEU A 15 -0.205 16.205 9.204 1.00 0.73 C ATOM 242 CG LEU A 15 0.469 14.958 9.783 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.088 14.133 8.670 1.00 0.78 C ATOM 244 CD2 LEU A 15 1.524 15.341 10.808 1.00 0.91 C ATOM 0 H LEU A 15 -2.808 15.750 9.888 1.00 0.73 H new ATOM 0 HA LEU A 15 -0.555 17.280 11.042 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -0.788 15.910 8.331 1.00 0.73 H new ATOM 0 HB3 LEU A 15 0.570 16.886 8.854 1.00 0.73 H new ATOM 0 HG LEU A 15 -0.290 14.358 10.285 1.00 0.73 H new ATOM 0 HD11 LEU A 15 1.564 13.249 9.094 1.00 0.78 H new ATOM 0 HD12 LEU A 15 0.311 13.826 7.970 1.00 0.78 H new ATOM 0 HD13 LEU A 15 1.834 14.731 8.146 1.00 0.78 H new ATOM 0 HD21 LEU A 15 1.989 14.439 11.206 1.00 0.91 H new ATOM 0 HD22 LEU A 15 2.284 15.962 10.334 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.057 15.897 11.621 1.00 0.91 H new ATOM 256 N GLU A 16 -0.862 19.259 9.470 1.00 0.80 N ATOM 257 CA GLU A 16 -1.222 20.511 8.827 1.00 0.83 C ATOM 258 C GLU A 16 -0.363 20.705 7.584 1.00 0.78 C ATOM 259 O GLU A 16 0.638 21.424 7.608 1.00 0.84 O ATOM 260 CB GLU A 16 -1.031 21.682 9.792 1.00 0.95 C ATOM 261 CG GLU A 16 -2.335 22.285 10.285 1.00 1.01 C ATOM 262 CD GLU A 16 -3.137 22.924 9.172 1.00 1.06 C ATOM 263 OE1 GLU A 16 -2.527 23.493 8.235 1.00 1.08 O ATOM 264 OE2 GLU A 16 -4.379 22.869 9.229 1.00 1.17 O ATOM 0 H GLU A 16 0.057 19.268 9.913 1.00 0.80 H new ATOM 0 HA GLU A 16 -2.272 20.476 8.538 1.00 0.83 H new ATOM 0 HB2 GLU A 16 -0.450 21.343 10.650 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -0.446 22.458 9.297 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.934 21.508 10.760 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -2.120 23.033 11.048 1.00 1.01 H new ATOM 271 N VAL A 17 -0.752 20.040 6.508 1.00 0.70 N ATOM 272 CA VAL A 17 -0.017 20.108 5.251 1.00 0.68 C ATOM 273 C VAL A 17 -0.484 21.271 4.385 1.00 0.72 C ATOM 274 O VAL A 17 -1.495 21.910 4.676 1.00 0.76 O ATOM 275 CB VAL A 17 -0.156 18.801 4.447 1.00 0.60 C ATOM 276 CG1 VAL A 17 0.477 17.644 5.201 1.00 0.57 C ATOM 277 CG2 VAL A 17 -1.617 18.510 4.143 1.00 0.58 C ATOM 0 H VAL A 17 -1.578 19.443 6.478 1.00 0.70 H new ATOM 0 HA VAL A 17 1.029 20.261 5.516 1.00 0.68 H new ATOM 0 HB VAL A 17 0.370 18.922 3.500 1.00 0.60 H new ATOM 0 HG11 VAL A 17 0.370 16.729 4.619 1.00 0.57 H new ATOM 0 HG12 VAL A 17 1.535 17.850 5.362 1.00 0.57 H new ATOM 0 HG13 VAL A 17 -0.019 17.522 6.164 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -1.693 17.583 3.575 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -2.170 18.409 5.077 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -2.037 19.329 3.559 1.00 0.58 H new ATOM 287 N GLU A 18 0.254 21.523 3.316 1.00 0.73 N ATOM 288 CA GLU A 18 -0.065 22.602 2.397 1.00 0.78 C ATOM 289 C GLU A 18 -0.776 22.045 1.162 1.00 0.76 C ATOM 290 O GLU A 18 -0.641 20.861 0.850 1.00 0.72 O ATOM 291 CB GLU A 18 1.213 23.345 2.003 1.00 0.86 C ATOM 292 CG GLU A 18 1.914 24.000 3.184 1.00 0.94 C ATOM 293 CD GLU A 18 3.233 24.637 2.801 1.00 1.06 C ATOM 294 OE1 GLU A 18 4.233 23.904 2.664 1.00 1.25 O ATOM 295 OE2 GLU A 18 3.275 25.874 2.634 1.00 1.18 O ATOM 0 H GLU A 18 1.085 20.989 3.062 1.00 0.73 H new ATOM 0 HA GLU A 18 -0.735 23.307 2.888 1.00 0.78 H new ATOM 0 HB2 GLU A 18 1.899 22.646 1.524 1.00 0.86 H new ATOM 0 HB3 GLU A 18 0.969 24.109 1.265 1.00 0.86 H new ATOM 0 HG2 GLU A 18 1.260 24.759 3.614 1.00 0.94 H new ATOM 0 HG3 GLU A 18 2.087 23.253 3.958 1.00 0.94 H new ATOM 302 N PRO A 19 -1.552 22.882 0.453 1.00 0.80 N ATOM 303 CA PRO A 19 -2.299 22.460 -0.743 1.00 0.82 C ATOM 304 C PRO A 19 -1.425 21.782 -1.801 1.00 0.86 C ATOM 305 O PRO A 19 -1.813 20.762 -2.379 1.00 0.87 O ATOM 306 CB PRO A 19 -2.865 23.772 -1.290 1.00 0.87 C ATOM 307 CG PRO A 19 -2.942 24.674 -0.109 1.00 0.91 C ATOM 308 CD PRO A 19 -1.776 24.306 0.766 1.00 0.88 C ATOM 0 HA PRO A 19 -3.053 21.714 -0.492 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -2.221 24.188 -2.064 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.847 23.623 -1.739 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.889 25.720 -0.412 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.885 24.544 0.422 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.897 24.910 0.540 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -2.003 24.455 1.822 1.00 0.88 H new ATOM 316 N SER A 20 -0.252 22.344 -2.052 1.00 0.92 N ATOM 317 CA SER A 20 0.657 21.794 -3.047 1.00 1.00 C ATOM 318 C SER A 20 1.809 21.042 -2.388 1.00 0.92 C ATOM 319 O SER A 20 2.910 20.973 -2.939 1.00 0.94 O ATOM 320 CB SER A 20 1.193 22.919 -3.932 1.00 1.18 C ATOM 321 OG SER A 20 0.148 23.803 -4.315 1.00 1.24 O ATOM 0 H SER A 20 0.093 23.180 -1.581 1.00 0.92 H new ATOM 0 HA SER A 20 0.105 21.083 -3.662 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.965 23.472 -3.397 1.00 1.18 H new ATOM 0 HB3 SER A 20 1.662 22.496 -4.821 1.00 1.18 H new ATOM 0 HG SER A 20 0.513 24.516 -4.879 1.00 1.24 H new ATOM 327 N ASP A 21 1.557 20.477 -1.213 1.00 0.85 N ATOM 328 CA ASP A 21 2.581 19.728 -0.499 1.00 0.80 C ATOM 329 C ASP A 21 2.792 18.368 -1.151 1.00 0.75 C ATOM 330 O ASP A 21 1.827 17.676 -1.487 1.00 0.73 O ATOM 331 CB ASP A 21 2.194 19.549 0.973 1.00 0.75 C ATOM 332 CG ASP A 21 3.387 19.645 1.903 1.00 0.65 C ATOM 333 OD1 ASP A 21 4.489 19.995 1.426 1.00 0.82 O ATOM 334 OD2 ASP A 21 3.224 19.392 3.118 1.00 0.69 O ATOM 0 H ASP A 21 0.656 20.523 -0.737 1.00 0.85 H new ATOM 0 HA ASP A 21 3.512 20.292 -0.547 1.00 0.80 H new ATOM 0 HB2 ASP A 21 1.461 20.308 1.248 1.00 0.75 H new ATOM 0 HB3 ASP A 21 1.713 18.580 1.103 1.00 0.75 H new ATOM 339 N THR A 22 4.052 18.009 -1.359 1.00 0.76 N ATOM 340 CA THR A 22 4.393 16.731 -1.964 1.00 0.74 C ATOM 341 C THR A 22 4.117 15.584 -1.003 1.00 0.67 C ATOM 342 O THR A 22 4.208 15.748 0.216 1.00 0.65 O ATOM 343 CB THR A 22 5.873 16.685 -2.382 1.00 0.80 C ATOM 344 OG1 THR A 22 6.633 17.618 -1.602 1.00 0.85 O ATOM 345 CG2 THR A 22 6.031 16.995 -3.862 1.00 1.02 C ATOM 0 H THR A 22 4.856 18.588 -1.116 1.00 0.76 H new ATOM 0 HA THR A 22 3.769 16.622 -2.851 1.00 0.74 H new ATOM 0 HB THR A 22 6.247 15.677 -2.202 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.494 17.217 -1.360 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.086 16.956 -4.131 1.00 1.02 H new ATOM 0 HG22 THR A 22 5.479 16.260 -4.449 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.641 17.991 -4.069 1.00 1.02 H new ATOM 353 N ILE A 23 3.781 14.426 -1.556 1.00 0.65 N ATOM 354 CA ILE A 23 3.504 13.242 -0.756 1.00 0.59 C ATOM 355 C ILE A 23 4.714 12.912 0.115 1.00 0.58 C ATOM 356 O ILE A 23 4.572 12.537 1.280 1.00 0.54 O ATOM 357 CB ILE A 23 3.156 12.034 -1.656 1.00 0.62 C ATOM 358 CG1 ILE A 23 1.877 12.310 -2.455 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.006 10.763 -0.833 1.00 0.55 C ATOM 360 CD1 ILE A 23 0.646 12.516 -1.597 1.00 0.63 C ATOM 0 H ILE A 23 3.694 14.282 -2.562 1.00 0.65 H new ATOM 0 HA ILE A 23 2.644 13.451 -0.119 1.00 0.59 H new ATOM 0 HB ILE A 23 3.979 11.887 -2.356 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.030 13.196 -3.071 1.00 0.67 H new ATOM 0 HG13 ILE A 23 1.698 11.476 -3.134 1.00 0.67 H new ATOM 0 HG21 ILE A 23 2.761 9.930 -1.492 1.00 0.55 H new ATOM 0 HG22 ILE A 23 3.941 10.553 -0.314 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.208 10.895 -0.103 1.00 0.55 H new ATOM 0 HD11 ILE A 23 -0.216 12.706 -2.237 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.465 11.622 -1.000 1.00 0.63 H new ATOM 0 HD13 ILE A 23 0.802 13.369 -0.936 1.00 0.63 H new ATOM 372 N GLU A 24 5.902 13.087 -0.451 1.00 0.64 N ATOM 373 CA GLU A 24 7.139 12.819 0.268 1.00 0.67 C ATOM 374 C GLU A 24 7.295 13.768 1.459 1.00 0.65 C ATOM 375 O GLU A 24 7.793 13.369 2.514 1.00 0.65 O ATOM 376 CB GLU A 24 8.339 12.924 -0.690 1.00 0.78 C ATOM 377 CG GLU A 24 9.471 13.819 -0.206 1.00 0.94 C ATOM 378 CD GLU A 24 9.566 15.114 -0.985 1.00 1.68 C ATOM 379 OE1 GLU A 24 8.688 15.987 -0.823 1.00 2.11 O ATOM 380 OE2 GLU A 24 10.531 15.274 -1.761 1.00 2.16 O ATOM 0 H GLU A 24 6.034 13.414 -1.408 1.00 0.64 H new ATOM 0 HA GLU A 24 7.102 11.803 0.662 1.00 0.67 H new ATOM 0 HB2 GLU A 24 8.735 11.923 -0.863 1.00 0.78 H new ATOM 0 HB3 GLU A 24 7.986 13.298 -1.651 1.00 0.78 H new ATOM 0 HG2 GLU A 24 9.324 14.045 0.850 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.415 13.280 -0.288 1.00 0.94 H new ATOM 387 N ASN A 25 6.842 15.010 1.300 1.00 0.66 N ATOM 388 CA ASN A 25 6.944 15.997 2.370 1.00 0.68 C ATOM 389 C ASN A 25 5.953 15.678 3.480 1.00 0.62 C ATOM 390 O ASN A 25 6.216 15.929 4.654 1.00 0.65 O ATOM 391 CB ASN A 25 6.703 17.414 1.847 1.00 0.72 C ATOM 392 CG ASN A 25 7.318 18.466 2.753 1.00 0.79 C ATOM 393 OD1 ASN A 25 8.352 18.232 3.381 1.00 0.86 O ATOM 394 ND2 ASN A 25 6.690 19.627 2.840 1.00 0.83 N ATOM 0 H ASN A 25 6.404 15.354 0.446 1.00 0.66 H new ATOM 0 HA ASN A 25 7.957 15.950 2.769 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.123 17.507 0.846 1.00 0.72 H new ATOM 0 HB3 ASN A 25 5.631 17.591 1.761 1.00 0.72 H new ATOM 0 HD21 ASN A 25 7.060 20.363 3.441 1.00 0.83 H new ATOM 0 HD22 ASN A 25 5.836 19.786 2.306 1.00 0.83 H new ATOM 401 N VAL A 26 4.808 15.128 3.101 1.00 0.55 N ATOM 402 CA VAL A 26 3.791 14.746 4.071 1.00 0.51 C ATOM 403 C VAL A 26 4.302 13.578 4.904 1.00 0.50 C ATOM 404 O VAL A 26 4.134 13.542 6.125 1.00 0.51 O ATOM 405 CB VAL A 26 2.467 14.359 3.385 1.00 0.49 C ATOM 406 CG1 VAL A 26 1.427 13.917 4.403 1.00 0.48 C ATOM 407 CG2 VAL A 26 1.947 15.522 2.560 1.00 0.50 C ATOM 0 H VAL A 26 4.560 14.936 2.130 1.00 0.55 H new ATOM 0 HA VAL A 26 3.593 15.605 4.712 1.00 0.51 H new ATOM 0 HB VAL A 26 2.661 13.516 2.722 1.00 0.49 H new ATOM 0 HG11 VAL A 26 0.504 13.651 3.888 1.00 0.48 H new ATOM 0 HG12 VAL A 26 1.799 13.052 4.951 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.231 14.732 5.100 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.011 15.237 2.080 1.00 0.50 H new ATOM 0 HG22 VAL A 26 1.775 16.381 3.209 1.00 0.50 H new ATOM 0 HG23 VAL A 26 2.681 15.784 1.798 1.00 0.50 H new ATOM 417 N LYS A 27 4.949 12.634 4.231 1.00 0.50 N ATOM 418 CA LYS A 27 5.523 11.475 4.896 1.00 0.50 C ATOM 419 C LYS A 27 6.656 11.929 5.809 1.00 0.55 C ATOM 420 O LYS A 27 6.869 11.372 6.889 1.00 0.55 O ATOM 421 CB LYS A 27 6.032 10.473 3.860 1.00 0.52 C ATOM 422 CG LYS A 27 4.926 9.899 2.987 1.00 0.52 C ATOM 423 CD LYS A 27 5.482 9.214 1.748 1.00 0.69 C ATOM 424 CE LYS A 27 6.221 7.933 2.098 1.00 1.00 C ATOM 425 NZ LYS A 27 6.906 7.343 0.921 1.00 1.16 N ATOM 0 H LYS A 27 5.089 12.651 3.221 1.00 0.50 H new ATOM 0 HA LYS A 27 4.759 10.982 5.497 1.00 0.50 H new ATOM 0 HB2 LYS A 27 6.771 10.961 3.225 1.00 0.52 H new ATOM 0 HB3 LYS A 27 6.541 9.657 4.373 1.00 0.52 H new ATOM 0 HG2 LYS A 27 4.340 9.184 3.565 1.00 0.52 H new ATOM 0 HG3 LYS A 27 4.248 10.698 2.687 1.00 0.52 H new ATOM 0 HD2 LYS A 27 4.667 8.988 1.061 1.00 0.69 H new ATOM 0 HD3 LYS A 27 6.158 9.894 1.229 1.00 0.69 H new ATOM 0 HE2 LYS A 27 6.954 8.140 2.877 1.00 1.00 H new ATOM 0 HE3 LYS A 27 5.516 7.209 2.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 7.425 6.490 1.213 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 6.201 7.090 0.200 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 7.573 8.035 0.525 1.00 1.16 H new ATOM 439 N ALA A 28 7.370 12.959 5.358 1.00 0.62 N ATOM 440 CA ALA A 28 8.466 13.535 6.126 1.00 0.69 C ATOM 441 C ALA A 28 7.935 14.119 7.432 1.00 0.71 C ATOM 442 O ALA A 28 8.597 14.054 8.468 1.00 0.76 O ATOM 443 CB ALA A 28 9.185 14.601 5.314 1.00 0.76 C ATOM 0 H ALA A 28 7.206 13.412 4.459 1.00 0.62 H new ATOM 0 HA ALA A 28 9.183 12.748 6.361 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.000 15.020 5.904 1.00 0.76 H new ATOM 0 HB2 ALA A 28 9.587 14.156 4.404 1.00 0.76 H new ATOM 0 HB3 ALA A 28 8.484 15.393 5.051 1.00 0.76 H new ATOM 449 N LYS A 29 6.731 14.688 7.367 1.00 0.69 N ATOM 450 CA LYS A 29 6.081 15.257 8.543 1.00 0.73 C ATOM 451 C LYS A 29 5.825 14.156 9.561 1.00 0.72 C ATOM 452 O LYS A 29 6.117 14.316 10.750 1.00 0.81 O ATOM 453 CB LYS A 29 4.767 15.942 8.163 1.00 0.71 C ATOM 454 CG LYS A 29 4.956 17.268 7.447 1.00 0.75 C ATOM 455 CD LYS A 29 3.623 17.878 7.048 1.00 0.69 C ATOM 456 CE LYS A 29 3.774 19.328 6.611 1.00 0.68 C ATOM 457 NZ LYS A 29 4.581 19.457 5.369 1.00 0.89 N ATOM 0 H LYS A 29 6.186 14.766 6.508 1.00 0.69 H new ATOM 0 HA LYS A 29 6.738 16.010 8.978 1.00 0.73 H new ATOM 0 HB2 LYS A 29 4.190 15.273 7.524 1.00 0.71 H new ATOM 0 HB3 LYS A 29 4.179 16.107 9.066 1.00 0.71 H new ATOM 0 HG2 LYS A 29 5.495 17.959 8.095 1.00 0.75 H new ATOM 0 HG3 LYS A 29 5.570 17.119 6.559 1.00 0.75 H new ATOM 0 HD2 LYS A 29 3.186 17.297 6.236 1.00 0.69 H new ATOM 0 HD3 LYS A 29 2.931 17.822 7.888 1.00 0.69 H new ATOM 0 HE2 LYS A 29 2.787 19.762 6.448 1.00 0.68 H new ATOM 0 HE3 LYS A 29 4.246 19.900 7.410 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 5.334 20.160 5.515 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 5.007 18.538 5.135 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 3.968 19.764 4.587 1.00 0.89 H new ATOM 471 N ILE A 30 5.252 13.046 9.091 1.00 0.64 N ATOM 472 CA ILE A 30 4.998 11.892 9.947 1.00 0.64 C ATOM 473 C ILE A 30 6.296 11.455 10.616 1.00 0.72 C ATOM 474 O ILE A 30 6.319 11.135 11.802 1.00 0.80 O ATOM 475 CB ILE A 30 4.406 10.710 9.145 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.131 11.151 8.418 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.121 9.526 10.062 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.483 10.062 7.588 1.00 0.46 C ATOM 0 H ILE A 30 4.956 12.925 8.122 1.00 0.64 H new ATOM 0 HA ILE A 30 4.270 12.187 10.702 1.00 0.64 H new ATOM 0 HB ILE A 30 5.138 10.393 8.402 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.411 11.508 9.154 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.369 11.994 7.769 1.00 0.52 H new ATOM 0 HG21 ILE A 30 3.705 8.705 9.478 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.048 9.201 10.536 1.00 0.58 H new ATOM 0 HG23 ILE A 30 3.406 9.824 10.829 1.00 0.58 H new ATOM 0 HD11 ILE A 30 1.588 10.455 7.107 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.184 9.720 6.826 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.211 9.226 8.233 1.00 0.46 H new ATOM 490 N GLN A 31 7.367 11.426 9.830 1.00 0.71 N ATOM 491 CA GLN A 31 8.688 11.072 10.337 1.00 0.82 C ATOM 492 C GLN A 31 9.082 11.987 11.494 1.00 0.93 C ATOM 493 O GLN A 31 9.592 11.532 12.516 1.00 1.01 O ATOM 494 CB GLN A 31 9.733 11.164 9.225 1.00 0.84 C ATOM 495 CG GLN A 31 11.117 10.719 9.661 1.00 0.97 C ATOM 496 CD GLN A 31 12.156 10.888 8.573 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.064 11.787 7.738 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.150 10.018 8.569 1.00 1.18 N ATOM 0 H GLN A 31 7.345 11.645 8.834 1.00 0.71 H new ATOM 0 HA GLN A 31 8.647 10.044 10.698 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.411 10.552 8.382 1.00 0.84 H new ATOM 0 HB3 GLN A 31 9.785 12.193 8.870 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.419 11.292 10.538 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.079 9.672 9.962 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.191 9.287 9.279 1.00 1.18 H new ATOM 0 HE22 GLN A 31 13.877 10.077 7.856 1.00 1.18 H new ATOM 507 N ASP A 32 8.837 13.278 11.326 1.00 0.95 N ATOM 508 CA ASP A 32 9.152 14.262 12.355 1.00 1.08 C ATOM 509 C ASP A 32 8.292 14.050 13.600 1.00 1.10 C ATOM 510 O ASP A 32 8.759 14.231 14.725 1.00 1.19 O ATOM 511 CB ASP A 32 8.935 15.684 11.821 1.00 1.15 C ATOM 512 CG ASP A 32 10.096 16.192 10.990 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.252 16.104 11.453 1.00 1.24 O ATOM 514 OD2 ASP A 32 9.859 16.708 9.876 1.00 1.51 O ATOM 0 H ASP A 32 8.419 13.672 10.483 1.00 0.95 H new ATOM 0 HA ASP A 32 10.200 14.133 12.627 1.00 1.08 H new ATOM 0 HB2 ASP A 32 8.028 15.704 11.217 1.00 1.15 H new ATOM 0 HB3 ASP A 32 8.774 16.360 12.661 1.00 1.15 H new ATOM 519 N LYS A 33 7.040 13.663 13.392 1.00 1.04 N ATOM 520 CA LYS A 33 6.104 13.450 14.491 1.00 1.08 C ATOM 521 C LYS A 33 6.206 12.043 15.098 1.00 1.05 C ATOM 522 O LYS A 33 6.781 11.864 16.170 1.00 1.11 O ATOM 523 CB LYS A 33 4.674 13.716 14.010 1.00 1.05 C ATOM 524 CG LYS A 33 3.627 13.646 15.110 1.00 1.11 C ATOM 525 CD LYS A 33 2.242 13.989 14.587 1.00 1.21 C ATOM 526 CE LYS A 33 1.165 13.710 15.623 1.00 1.50 C ATOM 527 NZ LYS A 33 1.400 14.452 16.891 1.00 1.79 N ATOM 0 H LYS A 33 6.647 13.489 12.467 1.00 1.04 H new ATOM 0 HA LYS A 33 6.369 14.152 15.282 1.00 1.08 H new ATOM 0 HB2 LYS A 33 4.635 14.702 13.548 1.00 1.05 H new ATOM 0 HB3 LYS A 33 4.422 12.991 13.236 1.00 1.05 H new ATOM 0 HG2 LYS A 33 3.616 12.644 15.540 1.00 1.11 H new ATOM 0 HG3 LYS A 33 3.894 14.334 15.912 1.00 1.11 H new ATOM 0 HD2 LYS A 33 2.210 15.041 14.303 1.00 1.21 H new ATOM 0 HD3 LYS A 33 2.039 13.410 13.686 1.00 1.21 H new ATOM 0 HE2 LYS A 33 0.192 13.987 15.217 1.00 1.50 H new ATOM 0 HE3 LYS A 33 1.131 12.640 15.831 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 0.577 14.340 17.516 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 2.247 14.074 17.362 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 1.541 15.461 16.682 1.00 1.79 H new ATOM 541 N GLU A 34 5.634 11.055 14.416 1.00 0.98 N ATOM 542 CA GLU A 34 5.618 9.673 14.896 1.00 0.97 C ATOM 543 C GLU A 34 6.966 8.965 14.756 1.00 0.95 C ATOM 544 O GLU A 34 7.121 7.833 15.217 1.00 0.97 O ATOM 545 CB GLU A 34 4.547 8.886 14.140 1.00 0.89 C ATOM 546 CG GLU A 34 3.152 9.465 14.292 1.00 0.94 C ATOM 547 CD GLU A 34 2.740 9.592 15.741 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.779 8.578 16.461 1.00 1.18 O ATOM 549 OE2 GLU A 34 2.384 10.707 16.171 1.00 1.56 O ATOM 0 H GLU A 34 5.169 11.187 13.518 1.00 0.98 H new ATOM 0 HA GLU A 34 5.394 9.712 15.962 1.00 0.97 H new ATOM 0 HB2 GLU A 34 4.807 8.858 13.082 1.00 0.89 H new ATOM 0 HB3 GLU A 34 4.545 7.856 14.496 1.00 0.89 H new ATOM 0 HG2 GLU A 34 3.114 10.446 13.818 1.00 0.94 H new ATOM 0 HG3 GLU A 34 2.438 8.830 13.768 1.00 0.94 H new ATOM 556 N GLY A 35 7.928 9.614 14.117 1.00 0.94 N ATOM 557 CA GLY A 35 9.241 9.011 13.949 1.00 0.94 C ATOM 558 C GLY A 35 9.256 7.867 12.955 1.00 0.88 C ATOM 559 O GLY A 35 10.159 7.029 12.980 1.00 0.92 O ATOM 0 H GLY A 35 7.827 10.545 13.712 1.00 0.94 H new ATOM 0 HA2 GLY A 35 9.945 9.776 13.621 1.00 0.94 H new ATOM 0 HA3 GLY A 35 9.592 8.648 14.915 1.00 0.94 H new ATOM 563 N ILE A 36 8.268 7.826 12.077 1.00 0.79 N ATOM 564 CA ILE A 36 8.185 6.770 11.077 1.00 0.73 C ATOM 565 C ILE A 36 8.905 7.197 9.804 1.00 0.69 C ATOM 566 O ILE A 36 8.546 8.203 9.199 1.00 0.63 O ATOM 567 CB ILE A 36 6.721 6.427 10.729 1.00 0.66 C ATOM 568 CG1 ILE A 36 5.903 6.192 12.000 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.663 5.198 9.832 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.416 6.064 11.750 1.00 0.76 C ATOM 0 H ILE A 36 7.512 8.510 12.035 1.00 0.79 H new ATOM 0 HA ILE A 36 8.659 5.885 11.501 1.00 0.73 H new ATOM 0 HB ILE A 36 6.291 7.273 10.194 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.260 5.286 12.489 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.077 7.017 12.691 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.624 4.969 9.595 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.210 5.394 8.910 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.113 4.350 10.348 1.00 0.63 H new ATOM 0 HD11 ILE A 36 3.901 5.899 12.696 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.044 6.979 11.289 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.230 5.221 11.084 1.00 0.76 H new ATOM 582 N PRO A 37 9.944 6.456 9.390 1.00 0.76 N ATOM 583 CA PRO A 37 10.695 6.774 8.173 1.00 0.77 C ATOM 584 C PRO A 37 9.803 6.720 6.932 1.00 0.66 C ATOM 585 O PRO A 37 9.028 5.782 6.770 1.00 0.58 O ATOM 586 CB PRO A 37 11.767 5.678 8.103 1.00 0.88 C ATOM 587 CG PRO A 37 11.843 5.111 9.480 1.00 0.97 C ATOM 588 CD PRO A 37 10.472 5.263 10.069 1.00 0.88 C ATOM 0 HA PRO A 37 11.109 7.782 8.201 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.498 4.911 7.377 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.728 6.088 7.793 1.00 0.88 H new ATOM 0 HG2 PRO A 37 12.142 4.063 9.454 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.585 5.639 10.079 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.853 4.386 9.880 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.511 5.399 11.150 1.00 0.88 H new ATOM 596 N PRO A 38 9.887 7.733 6.052 1.00 0.70 N ATOM 597 CA PRO A 38 9.087 7.787 4.820 1.00 0.66 C ATOM 598 C PRO A 38 9.232 6.521 3.978 1.00 0.65 C ATOM 599 O PRO A 38 8.279 6.078 3.340 1.00 0.62 O ATOM 600 CB PRO A 38 9.655 8.999 4.077 1.00 0.81 C ATOM 601 CG PRO A 38 10.226 9.858 5.149 1.00 0.91 C ATOM 602 CD PRO A 38 10.750 8.915 6.195 1.00 0.86 C ATOM 0 HA PRO A 38 8.020 7.865 5.030 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.418 8.702 3.358 1.00 0.81 H new ATOM 0 HB3 PRO A 38 8.878 9.523 3.520 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.023 10.491 4.759 1.00 0.91 H new ATOM 0 HG3 PRO A 38 9.467 10.520 5.565 1.00 0.91 H new ATOM 0 HD2 PRO A 38 11.798 8.670 6.026 1.00 0.86 H new ATOM 0 HD3 PRO A 38 10.680 9.345 7.194 1.00 0.86 H new ATOM 610 N ASP A 39 10.427 5.938 3.995 1.00 0.73 N ATOM 611 CA ASP A 39 10.694 4.711 3.248 1.00 0.79 C ATOM 612 C ASP A 39 9.836 3.567 3.780 1.00 0.74 C ATOM 613 O ASP A 39 9.448 2.666 3.039 1.00 0.81 O ATOM 614 CB ASP A 39 12.176 4.340 3.341 1.00 0.89 C ATOM 615 CG ASP A 39 12.496 3.022 2.665 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.286 2.906 1.438 1.00 2.29 O ATOM 617 OD2 ASP A 39 12.974 2.095 3.353 1.00 2.66 O ATOM 0 H ASP A 39 11.227 6.295 4.518 1.00 0.73 H new ATOM 0 HA ASP A 39 10.440 4.884 2.202 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.773 5.131 2.886 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.467 4.285 4.390 1.00 0.89 H new ATOM 622 N GLN A 40 9.517 3.634 5.065 1.00 0.67 N ATOM 623 CA GLN A 40 8.710 2.615 5.721 1.00 0.70 C ATOM 624 C GLN A 40 7.224 2.956 5.637 1.00 0.60 C ATOM 625 O GLN A 40 6.388 2.238 6.183 1.00 0.67 O ATOM 626 CB GLN A 40 9.122 2.483 7.197 1.00 0.79 C ATOM 627 CG GLN A 40 10.245 1.486 7.452 1.00 0.95 C ATOM 628 CD GLN A 40 11.427 1.676 6.526 1.00 1.48 C ATOM 629 OE1 GLN A 40 12.344 2.446 6.814 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.413 0.976 5.408 1.00 2.01 N ATOM 0 H GLN A 40 9.809 4.393 5.680 1.00 0.67 H new ATOM 0 HA GLN A 40 8.881 1.669 5.208 1.00 0.70 H new ATOM 0 HB2 GLN A 40 9.432 3.462 7.564 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.250 2.186 7.779 1.00 0.79 H new ATOM 0 HG2 GLN A 40 10.581 1.582 8.485 1.00 0.95 H new ATOM 0 HG3 GLN A 40 9.858 0.474 7.335 1.00 0.95 H new ATOM 0 HE21 GLN A 40 10.633 0.349 5.208 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.182 1.061 4.743 1.00 2.01 H new ATOM 639 N GLN A 41 6.899 4.044 4.949 1.00 0.51 N ATOM 640 CA GLN A 41 5.514 4.481 4.821 1.00 0.44 C ATOM 641 C GLN A 41 4.964 4.234 3.422 1.00 0.45 C ATOM 642 O GLN A 41 5.647 4.450 2.421 1.00 0.51 O ATOM 643 CB GLN A 41 5.393 5.975 5.103 1.00 0.40 C ATOM 644 CG GLN A 41 5.865 6.414 6.474 1.00 0.41 C ATOM 645 CD GLN A 41 5.693 7.905 6.653 1.00 0.40 C ATOM 646 OE1 GLN A 41 4.770 8.498 6.106 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.586 8.528 7.399 1.00 0.46 N ATOM 0 H GLN A 41 7.575 4.640 4.471 1.00 0.51 H new ATOM 0 HA GLN A 41 4.942 3.900 5.545 1.00 0.44 H new ATOM 0 HB2 GLN A 41 5.963 6.518 4.349 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.350 6.267 4.985 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.303 5.884 7.243 1.00 0.41 H new ATOM 0 HG3 GLN A 41 6.914 6.147 6.605 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.340 8.001 7.838 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.522 9.537 7.536 1.00 0.46 H new ATOM 656 N ARG A 42 3.723 3.783 3.367 1.00 0.46 N ATOM 657 CA ARG A 42 3.034 3.550 2.108 1.00 0.52 C ATOM 658 C ARG A 42 1.634 4.147 2.185 1.00 0.50 C ATOM 659 O ARG A 42 0.704 3.517 2.685 1.00 0.53 O ATOM 660 CB ARG A 42 2.969 2.055 1.779 1.00 0.63 C ATOM 661 CG ARG A 42 4.305 1.470 1.339 1.00 0.69 C ATOM 662 CD ARG A 42 4.897 2.242 0.166 1.00 0.75 C ATOM 663 NE ARG A 42 6.140 1.645 -0.319 1.00 0.87 N ATOM 664 CZ ARG A 42 7.348 1.936 0.167 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.483 2.825 1.143 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.421 1.347 -0.335 1.00 1.11 N ATOM 0 H ARG A 42 3.164 3.568 4.193 1.00 0.46 H new ATOM 0 HA ARG A 42 3.591 4.034 1.306 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.616 1.513 2.656 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.235 1.897 0.989 1.00 0.63 H new ATOM 0 HG2 ARG A 42 5.003 1.487 2.176 1.00 0.69 H new ATOM 0 HG3 ARG A 42 4.170 0.426 1.057 1.00 0.69 H new ATOM 0 HD2 ARG A 42 4.172 2.277 -0.647 1.00 0.75 H new ATOM 0 HD3 ARG A 42 5.085 3.272 0.469 1.00 0.75 H new ATOM 0 HE ARG A 42 6.080 0.964 -1.076 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.660 3.290 1.526 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.409 3.043 1.510 1.00 0.94 H new ATOM 0 HH21 ARG A 42 8.324 0.671 -1.093 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.345 1.569 0.036 1.00 1.11 H new ATOM 680 N LEU A 43 1.504 5.381 1.714 1.00 0.47 N ATOM 681 CA LEU A 43 0.229 6.087 1.744 1.00 0.46 C ATOM 682 C LEU A 43 -0.755 5.518 0.726 1.00 0.49 C ATOM 683 O LEU A 43 -0.440 5.378 -0.461 1.00 0.65 O ATOM 684 CB LEU A 43 0.443 7.583 1.496 1.00 0.47 C ATOM 685 CG LEU A 43 1.027 8.361 2.682 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.289 9.808 2.297 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.092 8.294 3.881 1.00 1.14 C ATOM 0 H LEU A 43 2.270 5.916 1.305 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.202 5.947 2.735 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.107 7.702 0.640 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.512 8.031 1.223 1.00 0.47 H new ATOM 0 HG LEU A 43 1.975 7.899 2.957 1.00 0.64 H new ATOM 0 HD11 LEU A 43 1.703 10.343 3.152 1.00 0.98 H new ATOM 0 HD12 LEU A 43 1.998 9.842 1.470 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.354 10.279 1.993 1.00 0.98 H new ATOM 0 HD21 LEU A 43 0.525 8.852 4.711 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.872 8.728 3.615 1.00 1.14 H new ATOM 0 HD23 LEU A 43 -0.047 7.254 4.176 1.00 1.14 H new ATOM 699 N ILE A 44 -1.938 5.182 1.212 1.00 0.55 N ATOM 700 CA ILE A 44 -2.995 4.622 0.390 1.00 0.63 C ATOM 701 C ILE A 44 -4.177 5.582 0.308 1.00 0.63 C ATOM 702 O ILE A 44 -4.628 6.113 1.324 1.00 0.92 O ATOM 703 CB ILE A 44 -3.499 3.278 0.961 1.00 0.95 C ATOM 704 CG1 ILE A 44 -2.327 2.336 1.236 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.494 2.626 0.009 1.00 1.57 C ATOM 706 CD1 ILE A 44 -2.694 1.164 2.115 1.00 1.75 C ATOM 0 H ILE A 44 -2.193 5.291 2.194 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.575 4.458 -0.603 1.00 0.63 H new ATOM 0 HB ILE A 44 -4.008 3.480 1.904 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -1.940 1.963 0.288 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -1.522 2.898 1.710 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -4.836 1.681 0.431 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.347 3.289 -0.135 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -4.012 2.441 -0.951 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -1.816 0.536 2.270 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -3.053 1.529 3.077 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -3.478 0.579 1.633 1.00 1.75 H new ATOM 718 N PHE A 45 -4.670 5.800 -0.897 1.00 0.58 N ATOM 719 CA PHE A 45 -5.802 6.678 -1.110 1.00 0.72 C ATOM 720 C PHE A 45 -6.890 5.957 -1.897 1.00 0.86 C ATOM 721 O PHE A 45 -6.757 5.724 -3.102 1.00 0.83 O ATOM 722 CB PHE A 45 -5.362 7.945 -1.842 1.00 0.77 C ATOM 723 CG PHE A 45 -6.366 9.062 -1.789 1.00 1.02 C ATOM 724 CD1 PHE A 45 -6.919 9.459 -0.581 1.00 0.98 C ATOM 725 CD2 PHE A 45 -6.755 9.716 -2.944 1.00 1.68 C ATOM 726 CE1 PHE A 45 -7.838 10.489 -0.528 1.00 1.21 C ATOM 727 CE2 PHE A 45 -7.673 10.744 -2.897 1.00 1.95 C ATOM 728 CZ PHE A 45 -8.218 11.131 -1.689 1.00 1.59 C ATOM 0 H PHE A 45 -4.300 5.377 -1.748 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.209 6.964 -0.140 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.423 8.293 -1.411 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.162 7.699 -2.885 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -6.628 8.957 0.330 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.335 9.418 -3.893 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -8.258 10.791 0.420 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -7.966 11.247 -3.807 1.00 1.95 H new ATOM 0 HZ PHE A 45 -8.940 11.934 -1.653 1.00 1.59 H new ATOM 738 N ALA A 46 -7.944 5.569 -1.184 1.00 1.21 N ATOM 739 CA ALA A 46 -9.094 4.877 -1.766 1.00 1.45 C ATOM 740 C ALA A 46 -8.709 3.548 -2.422 1.00 1.26 C ATOM 741 O ALA A 46 -9.359 3.104 -3.371 1.00 1.24 O ATOM 742 CB ALA A 46 -9.805 5.782 -2.762 1.00 1.65 C ATOM 0 H ALA A 46 -8.026 5.726 -0.180 1.00 1.21 H new ATOM 0 HA ALA A 46 -9.775 4.639 -0.949 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.659 5.255 -3.188 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -10.151 6.682 -2.253 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.115 6.058 -3.559 1.00 1.65 H new ATOM 748 N GLY A 47 -7.658 2.910 -1.921 1.00 1.29 N ATOM 749 CA GLY A 47 -7.238 1.636 -2.478 1.00 1.38 C ATOM 750 C GLY A 47 -6.109 1.780 -3.479 1.00 1.26 C ATOM 751 O GLY A 47 -5.724 0.815 -4.136 1.00 1.51 O ATOM 0 H GLY A 47 -7.091 3.249 -1.144 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -6.920 0.978 -1.670 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -8.089 1.157 -2.963 1.00 1.38 H new ATOM 755 N LYS A 48 -5.580 2.989 -3.601 1.00 1.08 N ATOM 756 CA LYS A 48 -4.490 3.250 -4.528 1.00 1.25 C ATOM 757 C LYS A 48 -3.269 3.774 -3.788 1.00 1.05 C ATOM 758 O LYS A 48 -3.389 4.344 -2.708 1.00 1.03 O ATOM 759 CB LYS A 48 -4.928 4.254 -5.595 1.00 1.51 C ATOM 760 CG LYS A 48 -5.858 3.661 -6.639 1.00 1.98 C ATOM 761 CD LYS A 48 -6.450 4.733 -7.539 1.00 2.33 C ATOM 762 CE LYS A 48 -7.853 5.118 -7.100 1.00 2.71 C ATOM 763 NZ LYS A 48 -7.855 5.925 -5.848 1.00 3.64 N ATOM 0 H LYS A 48 -5.888 3.804 -3.070 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.224 2.312 -5.015 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -5.427 5.093 -5.110 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -4.044 4.653 -6.092 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -5.311 2.939 -7.245 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -6.662 3.117 -6.143 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -5.809 5.615 -7.526 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -6.476 4.372 -8.567 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -8.337 5.685 -7.895 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -8.444 4.215 -6.948 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -8.813 6.291 -5.672 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -7.561 5.327 -5.049 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -7.193 6.721 -5.947 1.00 3.64 H new ATOM 777 N GLN A 49 -2.099 3.575 -4.372 1.00 0.98 N ATOM 778 CA GLN A 49 -0.854 4.031 -3.767 1.00 0.86 C ATOM 779 C GLN A 49 -0.478 5.394 -4.335 1.00 0.85 C ATOM 780 O GLN A 49 -0.652 5.634 -5.530 1.00 0.98 O ATOM 781 CB GLN A 49 0.267 3.023 -4.028 1.00 1.01 C ATOM 782 CG GLN A 49 1.343 3.012 -2.953 1.00 1.26 C ATOM 783 CD GLN A 49 0.986 2.117 -1.783 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.301 0.928 -1.777 1.00 1.50 O ATOM 785 NE2 GLN A 49 0.325 2.679 -0.785 1.00 2.20 N ATOM 0 H GLN A 49 -1.983 3.100 -5.267 1.00 0.98 H new ATOM 0 HA GLN A 49 -0.995 4.118 -2.690 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.165 2.025 -4.107 1.00 1.01 H new ATOM 0 HB3 GLN A 49 0.729 3.248 -4.989 1.00 1.01 H new ATOM 0 HG2 GLN A 49 2.284 2.676 -3.389 1.00 1.26 H new ATOM 0 HG3 GLN A 49 1.503 4.028 -2.593 1.00 1.26 H new ATOM 0 HE21 GLN A 49 0.082 3.669 -0.828 1.00 2.20 H new ATOM 0 HE22 GLN A 49 0.058 2.123 0.027 1.00 2.20 H new ATOM 794 N LEU A 50 0.032 6.276 -3.488 1.00 0.77 N ATOM 795 CA LEU A 50 0.415 7.619 -3.921 1.00 0.82 C ATOM 796 C LEU A 50 1.901 7.691 -4.267 1.00 0.89 C ATOM 797 O LEU A 50 2.698 6.882 -3.790 1.00 0.93 O ATOM 798 CB LEU A 50 0.083 8.638 -2.827 1.00 0.75 C ATOM 799 CG LEU A 50 -1.360 8.599 -2.324 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.583 9.650 -1.253 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.335 8.791 -3.476 1.00 0.87 C ATOM 0 H LEU A 50 0.191 6.090 -2.498 1.00 0.77 H new ATOM 0 HA LEU A 50 -0.152 7.856 -4.821 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.751 8.472 -1.982 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.292 9.638 -3.207 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.541 7.619 -1.883 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.616 9.605 -0.909 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -0.913 9.463 -0.414 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.381 10.638 -1.665 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.357 8.760 -3.097 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.153 9.756 -3.950 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.195 7.995 -4.208 1.00 0.87 H new ATOM 813 N GLU A 51 2.265 8.660 -5.100 1.00 0.95 N ATOM 814 CA GLU A 51 3.649 8.848 -5.514 1.00 1.07 C ATOM 815 C GLU A 51 4.314 9.940 -4.698 1.00 0.91 C ATOM 816 O GLU A 51 3.776 11.037 -4.561 1.00 0.89 O ATOM 817 CB GLU A 51 3.715 9.213 -6.994 1.00 1.37 C ATOM 818 CG GLU A 51 3.246 8.100 -7.908 1.00 1.59 C ATOM 819 CD GLU A 51 2.385 8.600 -9.046 1.00 1.84 C ATOM 820 OE1 GLU A 51 2.939 9.105 -10.043 1.00 2.64 O ATOM 821 OE2 GLU A 51 1.149 8.468 -8.956 1.00 1.95 O ATOM 0 H GLU A 51 1.613 9.333 -5.504 1.00 0.95 H new ATOM 0 HA GLU A 51 4.178 7.910 -5.347 1.00 1.07 H new ATOM 0 HB2 GLU A 51 3.105 10.099 -7.170 1.00 1.37 H new ATOM 0 HB3 GLU A 51 4.741 9.476 -7.251 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.113 7.581 -8.316 1.00 1.59 H new ATOM 0 HG3 GLU A 51 2.683 7.371 -7.326 1.00 1.59 H new ATOM 828 N ASP A 52 5.490 9.633 -4.169 1.00 0.89 N ATOM 829 CA ASP A 52 6.258 10.579 -3.360 1.00 0.90 C ATOM 830 C ASP A 52 6.545 11.868 -4.130 1.00 1.06 C ATOM 831 O ASP A 52 6.571 12.955 -3.551 1.00 1.66 O ATOM 832 CB ASP A 52 7.579 9.947 -2.915 1.00 0.94 C ATOM 833 CG ASP A 52 7.417 9.022 -1.725 1.00 1.07 C ATOM 834 OD1 ASP A 52 6.796 7.950 -1.879 1.00 1.51 O ATOM 835 OD2 ASP A 52 7.914 9.357 -0.629 1.00 1.32 O ATOM 0 H ASP A 52 5.940 8.725 -4.286 1.00 0.89 H new ATOM 0 HA ASP A 52 5.657 10.826 -2.485 1.00 0.90 H new ATOM 0 HB2 ASP A 52 8.008 9.389 -3.747 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.287 10.736 -2.662 1.00 0.94 H new ATOM 840 N GLY A 53 6.731 11.738 -5.440 1.00 1.02 N ATOM 841 CA GLY A 53 7.034 12.888 -6.273 1.00 1.10 C ATOM 842 C GLY A 53 5.801 13.632 -6.756 1.00 1.05 C ATOM 843 O GLY A 53 5.887 14.451 -7.673 1.00 1.14 O ATOM 0 H GLY A 53 6.677 10.852 -5.942 1.00 1.02 H new ATOM 0 HA2 GLY A 53 7.666 13.576 -5.712 1.00 1.10 H new ATOM 0 HA3 GLY A 53 7.611 12.558 -7.137 1.00 1.10 H new ATOM 847 N ARG A 54 4.653 13.342 -6.169 1.00 0.93 N ATOM 848 CA ARG A 54 3.416 14.014 -6.542 1.00 0.91 C ATOM 849 C ARG A 54 2.900 14.838 -5.370 1.00 0.83 C ATOM 850 O ARG A 54 3.403 14.716 -4.254 1.00 0.82 O ATOM 851 CB ARG A 54 2.359 13.000 -6.983 1.00 0.93 C ATOM 852 CG ARG A 54 2.463 12.611 -8.450 1.00 1.03 C ATOM 853 CD ARG A 54 2.053 13.757 -9.364 1.00 1.30 C ATOM 854 NE ARG A 54 3.163 14.242 -10.185 1.00 1.89 N ATOM 855 CZ ARG A 54 3.366 15.527 -10.489 1.00 2.64 C ATOM 856 NH1 ARG A 54 2.594 16.478 -9.969 1.00 2.91 N ATOM 857 NH2 ARG A 54 4.361 15.861 -11.302 1.00 3.46 N ATOM 0 H ARG A 54 4.549 12.645 -5.431 1.00 0.93 H new ATOM 0 HA ARG A 54 3.621 14.678 -7.382 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.450 12.103 -6.371 1.00 0.93 H new ATOM 0 HB3 ARG A 54 1.369 13.415 -6.795 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.487 12.313 -8.676 1.00 1.03 H new ATOM 0 HG3 ARG A 54 1.829 11.746 -8.643 1.00 1.03 H new ATOM 0 HD2 ARG A 54 1.242 13.428 -10.013 1.00 1.30 H new ATOM 0 HD3 ARG A 54 1.665 14.578 -8.761 1.00 1.30 H new ATOM 0 HE ARG A 54 3.824 13.555 -10.548 1.00 1.89 H new ATOM 0 HH11 ARG A 54 1.838 16.229 -9.331 1.00 2.91 H new ATOM 0 HH12 ARG A 54 2.758 17.456 -10.208 1.00 2.91 H new ATOM 0 HH21 ARG A 54 4.966 15.138 -11.691 1.00 3.46 H new ATOM 0 HH22 ARG A 54 4.520 16.841 -11.537 1.00 3.46 H new ATOM 871 N THR A 55 1.901 15.670 -5.619 1.00 0.80 N ATOM 872 CA THR A 55 1.334 16.504 -4.573 1.00 0.76 C ATOM 873 C THR A 55 -0.068 16.029 -4.211 1.00 0.71 C ATOM 874 O THR A 55 -0.678 15.254 -4.948 1.00 0.73 O ATOM 875 CB THR A 55 1.288 17.990 -4.992 1.00 0.81 C ATOM 876 OG1 THR A 55 0.608 18.137 -6.244 1.00 1.06 O ATOM 877 CG2 THR A 55 2.692 18.562 -5.107 1.00 0.96 C ATOM 0 H THR A 55 1.467 15.785 -6.535 1.00 0.80 H new ATOM 0 HA THR A 55 1.982 16.416 -3.701 1.00 0.76 H new ATOM 0 HB THR A 55 0.745 18.538 -4.222 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.039 17.572 -6.919 1.00 1.06 H new ATOM 0 HG21 THR A 55 2.635 19.609 -5.403 1.00 0.96 H new ATOM 0 HG22 THR A 55 3.197 18.484 -4.144 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.252 18.003 -5.856 1.00 0.96 H new ATOM 885 N LEU A 56 -0.567 16.486 -3.069 1.00 0.68 N ATOM 886 CA LEU A 56 -1.897 16.103 -2.604 1.00 0.67 C ATOM 887 C LEU A 56 -2.986 16.488 -3.605 1.00 0.70 C ATOM 888 O LEU A 56 -3.849 15.671 -3.935 1.00 0.71 O ATOM 889 CB LEU A 56 -2.188 16.736 -1.240 1.00 0.68 C ATOM 890 CG LEU A 56 -1.853 15.852 -0.038 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.370 15.537 0.000 1.00 1.34 C ATOM 892 CD2 LEU A 56 -2.287 16.523 1.253 1.00 1.26 C ATOM 0 H LEU A 56 -0.071 17.123 -2.446 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.907 15.017 -2.507 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -1.624 17.665 -1.158 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -3.245 17.000 -1.196 1.00 0.68 H new ATOM 0 HG LEU A 56 -2.399 14.914 -0.141 1.00 0.76 H new ATOM 0 HD11 LEU A 56 -0.154 14.907 0.863 1.00 1.34 H new ATOM 0 HD12 LEU A 56 -0.086 15.013 -0.912 1.00 1.34 H new ATOM 0 HD13 LEU A 56 0.197 16.465 0.077 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -2.041 15.880 2.098 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -1.769 17.476 1.360 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -3.363 16.695 1.230 1.00 1.26 H new ATOM 904 N SER A 57 -2.935 17.717 -4.105 1.00 0.74 N ATOM 905 CA SER A 57 -3.926 18.202 -5.062 1.00 0.79 C ATOM 906 C SER A 57 -3.906 17.420 -6.383 1.00 0.82 C ATOM 907 O SER A 57 -4.808 17.567 -7.210 1.00 0.84 O ATOM 908 CB SER A 57 -3.692 19.690 -5.326 1.00 0.86 C ATOM 909 OG SER A 57 -2.365 20.064 -4.981 1.00 0.95 O ATOM 0 H SER A 57 -2.216 18.399 -3.863 1.00 0.74 H new ATOM 0 HA SER A 57 -4.911 18.049 -4.621 1.00 0.79 H new ATOM 0 HB2 SER A 57 -3.874 19.910 -6.378 1.00 0.86 H new ATOM 0 HB3 SER A 57 -4.403 20.282 -4.749 1.00 0.86 H new ATOM 0 HG SER A 57 -2.328 20.300 -4.031 1.00 0.95 H new ATOM 915 N ASP A 58 -2.900 16.571 -6.574 1.00 0.83 N ATOM 916 CA ASP A 58 -2.796 15.779 -7.798 1.00 0.88 C ATOM 917 C ASP A 58 -3.811 14.647 -7.771 1.00 0.88 C ATOM 918 O ASP A 58 -4.297 14.199 -8.810 1.00 0.94 O ATOM 919 CB ASP A 58 -1.388 15.200 -7.961 1.00 0.89 C ATOM 920 CG ASP A 58 -0.384 16.210 -8.477 1.00 0.87 C ATOM 921 OD1 ASP A 58 -0.732 17.001 -9.375 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.767 16.209 -7.995 1.00 1.03 O ATOM 0 H ASP A 58 -2.149 16.414 -5.902 1.00 0.83 H new ATOM 0 HA ASP A 58 -3.000 16.435 -8.644 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -1.046 14.816 -7.000 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -1.427 14.353 -8.646 1.00 0.89 H new ATOM 927 N TYR A 59 -4.126 14.187 -6.566 1.00 0.84 N ATOM 928 CA TYR A 59 -5.080 13.105 -6.381 1.00 0.87 C ATOM 929 C TYR A 59 -6.386 13.626 -5.794 1.00 0.86 C ATOM 930 O TYR A 59 -7.119 12.874 -5.152 1.00 0.89 O ATOM 931 CB TYR A 59 -4.505 12.044 -5.438 1.00 0.81 C ATOM 932 CG TYR A 59 -3.147 11.520 -5.832 1.00 0.82 C ATOM 933 CD1 TYR A 59 -3.022 10.416 -6.663 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.987 12.113 -5.349 1.00 0.84 C ATOM 935 CE1 TYR A 59 -1.779 9.921 -7.004 1.00 0.98 C ATOM 936 CE2 TYR A 59 -0.743 11.627 -5.690 1.00 0.91 C ATOM 937 CZ TYR A 59 -0.645 10.528 -6.515 1.00 0.98 C ATOM 938 OH TYR A 59 0.591 10.033 -6.848 1.00 1.11 O ATOM 0 H TYR A 59 -3.731 14.550 -5.699 1.00 0.84 H new ATOM 0 HA TYR A 59 -5.275 12.665 -7.359 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -4.440 12.466 -4.435 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -5.201 11.207 -5.387 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -3.910 9.937 -7.049 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -2.061 12.969 -4.695 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -1.697 9.061 -7.652 1.00 0.98 H new ATOM 0 HE2 TYR A 59 0.149 12.105 -5.313 1.00 0.91 H new ATOM 0 HH TYR A 59 0.495 9.360 -7.554 1.00 1.11 H new ATOM 948 N ASN A 60 -6.681 14.910 -6.016 1.00 0.86 N ATOM 949 CA ASN A 60 -7.900 15.535 -5.493 1.00 0.87 C ATOM 950 C ASN A 60 -7.931 15.503 -3.961 1.00 0.80 C ATOM 951 O ASN A 60 -8.999 15.474 -3.346 1.00 0.81 O ATOM 952 CB ASN A 60 -9.157 14.866 -6.077 1.00 0.95 C ATOM 953 CG ASN A 60 -10.417 15.691 -5.858 1.00 1.00 C ATOM 954 OD1 ASN A 60 -10.365 16.920 -5.762 1.00 0.99 O ATOM 955 ND2 ASN A 60 -11.557 15.023 -5.780 1.00 1.07 N ATOM 0 H ASN A 60 -6.089 15.540 -6.557 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.893 16.579 -5.805 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -9.014 14.705 -7.146 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -9.286 13.885 -5.621 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -12.433 15.525 -5.636 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -11.559 14.006 -5.864 1.00 1.07 H new ATOM 962 N ILE A 61 -6.757 15.517 -3.340 1.00 0.75 N ATOM 963 CA ILE A 61 -6.676 15.511 -1.888 1.00 0.70 C ATOM 964 C ILE A 61 -6.723 16.943 -1.372 1.00 0.72 C ATOM 965 O ILE A 61 -5.979 17.805 -1.838 1.00 0.76 O ATOM 966 CB ILE A 61 -5.397 14.809 -1.381 1.00 0.66 C ATOM 967 CG1 ILE A 61 -5.312 13.393 -1.951 1.00 0.66 C ATOM 968 CG2 ILE A 61 -5.378 14.767 0.141 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.950 12.754 -1.788 1.00 0.63 C ATOM 0 H ILE A 61 -5.855 15.532 -3.817 1.00 0.75 H new ATOM 0 HA ILE A 61 -7.528 14.948 -1.507 1.00 0.70 H new ATOM 0 HB ILE A 61 -4.531 15.378 -1.721 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -6.058 12.768 -1.461 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -5.566 13.421 -3.011 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -4.470 14.269 0.480 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -5.402 15.784 0.533 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -6.248 14.218 0.501 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.965 11.751 -2.215 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -3.201 13.357 -2.302 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.701 12.693 -0.729 1.00 0.63 H new ATOM 981 N GLN A 62 -7.600 17.183 -0.413 1.00 0.72 N ATOM 982 CA GLN A 62 -7.776 18.512 0.158 1.00 0.75 C ATOM 983 C GLN A 62 -7.899 18.418 1.674 1.00 0.73 C ATOM 984 O GLN A 62 -7.472 17.433 2.277 1.00 0.70 O ATOM 985 CB GLN A 62 -9.029 19.174 -0.427 1.00 0.82 C ATOM 986 CG GLN A 62 -8.982 19.357 -1.937 1.00 0.86 C ATOM 987 CD GLN A 62 -10.315 19.793 -2.512 1.00 0.98 C ATOM 988 OE1 GLN A 62 -11.079 20.516 -1.871 1.00 1.04 O ATOM 989 NE2 GLN A 62 -10.610 19.345 -3.721 1.00 1.14 N ATOM 0 H GLN A 62 -8.207 16.470 -0.009 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.905 19.119 -0.090 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.900 18.571 -0.171 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -9.167 20.148 0.043 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.223 20.098 -2.186 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -8.678 18.420 -2.404 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -9.950 18.748 -4.219 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -11.498 19.596 -4.155 1.00 1.14 H new ATOM 998 N LYS A 63 -8.474 19.437 2.291 1.00 0.78 N ATOM 999 CA LYS A 63 -8.668 19.444 3.733 1.00 0.81 C ATOM 1000 C LYS A 63 -9.627 18.328 4.155 1.00 0.84 C ATOM 1001 O LYS A 63 -10.446 17.867 3.356 1.00 0.88 O ATOM 1002 CB LYS A 63 -9.215 20.800 4.185 1.00 0.89 C ATOM 1003 CG LYS A 63 -10.587 21.125 3.615 1.00 0.98 C ATOM 1004 CD LYS A 63 -11.042 22.522 3.999 1.00 1.05 C ATOM 1005 CE LYS A 63 -10.418 23.583 3.106 1.00 1.20 C ATOM 1006 NZ LYS A 63 -10.982 23.551 1.730 1.00 1.50 N ATOM 0 H LYS A 63 -8.816 20.272 1.815 1.00 0.78 H new ATOM 0 HA LYS A 63 -7.703 19.271 4.210 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -9.270 20.815 5.273 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -8.514 21.581 3.890 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -10.559 21.038 2.529 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -11.312 20.395 3.975 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -12.128 22.582 3.931 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -10.776 22.718 5.038 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -10.582 24.568 3.543 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -9.340 23.431 3.060 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -10.760 24.443 1.243 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -10.567 22.756 1.203 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -12.014 23.432 1.780 1.00 1.50 H new ATOM 1020 N GLU A 64 -9.492 17.895 5.406 1.00 0.86 N ATOM 1021 CA GLU A 64 -10.329 16.840 5.993 1.00 0.91 C ATOM 1022 C GLU A 64 -10.194 15.498 5.267 1.00 0.83 C ATOM 1023 O GLU A 64 -10.970 14.570 5.519 1.00 0.87 O ATOM 1024 CB GLU A 64 -11.797 17.268 6.024 1.00 1.04 C ATOM 1025 CG GLU A 64 -12.038 18.546 6.807 1.00 1.15 C ATOM 1026 CD GLU A 64 -11.500 18.473 8.221 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -12.240 18.027 9.120 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -10.341 18.877 8.445 1.00 1.64 O ATOM 0 H GLU A 64 -8.794 18.267 6.050 1.00 0.86 H new ATOM 0 HA GLU A 64 -9.969 16.695 7.011 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -12.149 17.406 5.002 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -12.392 16.466 6.461 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -11.569 19.381 6.286 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -13.108 18.752 6.839 1.00 1.15 H new ATOM 1035 N SER A 65 -9.220 15.387 4.377 1.00 0.74 N ATOM 1036 CA SER A 65 -9.011 14.149 3.649 1.00 0.68 C ATOM 1037 C SER A 65 -8.338 13.121 4.544 1.00 0.61 C ATOM 1038 O SER A 65 -7.580 13.472 5.453 1.00 0.59 O ATOM 1039 CB SER A 65 -8.169 14.389 2.398 1.00 0.65 C ATOM 1040 OG SER A 65 -8.793 15.330 1.541 1.00 0.72 O ATOM 0 H SER A 65 -8.567 16.135 4.144 1.00 0.74 H new ATOM 0 HA SER A 65 -9.984 13.767 3.339 1.00 0.68 H new ATOM 0 HB2 SER A 65 -7.181 14.750 2.684 1.00 0.65 H new ATOM 0 HB3 SER A 65 -8.023 13.448 1.867 1.00 0.65 H new ATOM 0 HG SER A 65 -8.667 16.233 1.900 1.00 0.72 H new ATOM 1046 N THR A 66 -8.622 11.860 4.294 1.00 0.59 N ATOM 1047 CA THR A 66 -8.050 10.784 5.077 1.00 0.57 C ATOM 1048 C THR A 66 -7.125 9.940 4.214 1.00 0.55 C ATOM 1049 O THR A 66 -7.500 9.515 3.119 1.00 0.61 O ATOM 1050 CB THR A 66 -9.153 9.896 5.676 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.203 10.726 6.193 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.600 9.020 6.789 1.00 0.68 C ATOM 0 H THR A 66 -9.249 11.553 3.550 1.00 0.59 H new ATOM 0 HA THR A 66 -7.478 11.226 5.893 1.00 0.57 H new ATOM 0 HB THR A 66 -9.543 9.248 4.891 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.908 10.162 6.574 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.400 8.401 7.196 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.813 8.380 6.391 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.191 9.650 7.579 1.00 0.68 H new ATOM 1060 N LEU A 67 -5.917 9.710 4.697 1.00 0.51 N ATOM 1061 CA LEU A 67 -4.945 8.917 3.974 1.00 0.53 C ATOM 1062 C LEU A 67 -4.612 7.678 4.784 1.00 0.56 C ATOM 1063 O LEU A 67 -4.397 7.762 5.993 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.674 9.729 3.713 1.00 0.53 C ATOM 1065 CG LEU A 67 -3.869 10.992 2.873 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.632 11.876 2.947 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.175 10.627 1.430 1.00 0.84 C ATOM 0 H LEU A 67 -5.586 10.065 5.594 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.367 8.625 3.012 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.240 10.013 4.672 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -2.949 9.088 3.213 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.715 11.548 3.276 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.787 12.770 2.344 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.452 12.164 3.983 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -1.770 11.328 2.567 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.311 11.537 0.846 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -3.347 10.051 1.017 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.087 10.031 1.391 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.599 6.531 4.136 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.290 5.291 4.821 1.00 0.54 C ATOM 1081 C HIS A 68 -2.793 5.055 4.838 1.00 0.49 C ATOM 1082 O HIS A 68 -2.101 5.308 3.857 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.012 4.111 4.170 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.193 3.644 4.957 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -7.492 3.912 4.594 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -6.263 2.925 6.101 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -8.312 3.384 5.484 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -7.591 2.779 6.409 1.00 1.45 N ATOM 0 H HIS A 68 -4.798 6.431 3.141 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.641 5.375 5.850 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -5.339 4.398 3.171 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.312 3.284 4.051 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -5.428 2.538 6.666 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -9.390 3.438 5.459 1.00 1.33 H new ATOM 0 HE2 HIS A 68 -7.961 2.284 7.220 1.00 1.45 H new ATOM 1097 N LEU A 69 -2.302 4.585 5.963 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.884 4.318 6.110 1.00 0.47 C ATOM 1099 C LEU A 69 -0.626 2.823 6.247 1.00 0.53 C ATOM 1100 O LEU A 69 -1.436 2.086 6.813 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.316 5.071 7.317 1.00 0.49 C ATOM 1102 CG LEU A 69 1.206 5.004 7.475 1.00 0.67 C ATOM 1103 CD1 LEU A 69 1.897 5.824 6.397 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.627 5.483 8.858 1.00 1.00 C ATOM 0 H LEU A 69 -2.861 4.379 6.791 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.378 4.672 5.212 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.611 6.118 7.243 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.776 4.673 8.222 1.00 0.49 H new ATOM 0 HG LEU A 69 1.511 3.963 7.364 1.00 0.67 H new ATOM 0 HD11 LEU A 69 2.977 5.762 6.529 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.628 5.434 5.415 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.581 6.865 6.473 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.712 5.427 8.948 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.304 6.514 9.000 1.00 1.00 H new ATOM 0 HD23 LEU A 69 1.167 4.851 9.618 1.00 1.00 H new ATOM 1116 N VAL A 70 0.495 2.391 5.693 1.00 0.53 N ATOM 1117 CA VAL A 70 0.914 1.002 5.743 1.00 0.59 C ATOM 1118 C VAL A 70 2.428 0.956 5.910 1.00 0.57 C ATOM 1119 O VAL A 70 3.145 1.765 5.319 1.00 0.57 O ATOM 1120 CB VAL A 70 0.467 0.229 4.472 1.00 0.65 C ATOM 1121 CG1 VAL A 70 1.458 -0.859 4.086 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -0.911 -0.372 4.688 1.00 1.05 C ATOM 0 H VAL A 70 1.143 2.999 5.193 1.00 0.53 H new ATOM 0 HA VAL A 70 0.437 0.512 6.592 1.00 0.59 H new ATOM 0 HB VAL A 70 0.430 0.943 3.649 1.00 0.65 H new ATOM 0 HG11 VAL A 70 1.104 -1.373 3.192 1.00 1.08 H new ATOM 0 HG12 VAL A 70 2.431 -0.410 3.886 1.00 1.08 H new ATOM 0 HG13 VAL A 70 1.550 -1.574 4.903 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.217 -0.912 3.792 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -0.880 -1.059 5.533 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -1.627 0.424 4.894 1.00 1.05 H new ATOM 1132 N LEU A 71 2.907 0.035 6.729 1.00 0.61 N ATOM 1133 CA LEU A 71 4.334 -0.084 6.988 1.00 0.63 C ATOM 1134 C LEU A 71 5.035 -0.973 5.965 1.00 0.64 C ATOM 1135 O LEU A 71 4.455 -1.927 5.446 1.00 0.70 O ATOM 1136 CB LEU A 71 4.569 -0.638 8.396 1.00 0.73 C ATOM 1137 CG LEU A 71 4.171 0.296 9.539 1.00 0.86 C ATOM 1138 CD1 LEU A 71 4.250 -0.433 10.870 1.00 0.97 C ATOM 1139 CD2 LEU A 71 5.057 1.533 9.559 1.00 0.98 C ATOM 0 H LEU A 71 2.329 -0.642 7.227 1.00 0.61 H new ATOM 0 HA LEU A 71 4.760 0.916 6.906 1.00 0.63 H new ATOM 0 HB2 LEU A 71 4.013 -1.570 8.500 1.00 0.73 H new ATOM 0 HB3 LEU A 71 5.626 -0.884 8.500 1.00 0.73 H new ATOM 0 HG LEU A 71 3.142 0.616 9.376 1.00 0.86 H new ATOM 0 HD11 LEU A 71 3.964 0.245 11.674 1.00 0.97 H new ATOM 0 HD12 LEU A 71 3.573 -1.287 10.858 1.00 0.97 H new ATOM 0 HD13 LEU A 71 5.270 -0.781 11.035 1.00 0.97 H new ATOM 0 HD21 LEU A 71 4.756 2.183 10.380 1.00 0.98 H new ATOM 0 HD22 LEU A 71 6.096 1.234 9.695 1.00 0.98 H new ATOM 0 HD23 LEU A 71 4.955 2.069 8.616 1.00 0.98 H new ATOM 1151 N ARG A 72 6.283 -0.634 5.675 1.00 0.88 N ATOM 1152 CA ARG A 72 7.108 -1.395 4.748 1.00 0.97 C ATOM 1153 C ARG A 72 8.409 -1.779 5.447 1.00 1.16 C ATOM 1154 O ARG A 72 9.192 -0.912 5.833 1.00 1.48 O ATOM 1155 CB ARG A 72 7.400 -0.587 3.474 1.00 1.07 C ATOM 1156 CG ARG A 72 8.736 -0.931 2.825 1.00 1.39 C ATOM 1157 CD ARG A 72 8.591 -1.402 1.381 1.00 1.15 C ATOM 1158 NE ARG A 72 7.537 -2.407 1.198 1.00 1.50 N ATOM 1159 CZ ARG A 72 7.541 -3.630 1.735 1.00 1.88 C ATOM 1160 NH1 ARG A 72 8.500 -4.002 2.567 1.00 2.11 N ATOM 1161 NH2 ARG A 72 6.575 -4.486 1.434 1.00 2.62 N ATOM 0 H ARG A 72 6.753 0.178 6.076 1.00 0.88 H new ATOM 0 HA ARG A 72 6.571 -2.295 4.448 1.00 0.97 H new ATOM 0 HB2 ARG A 72 6.601 -0.759 2.753 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.387 0.476 3.717 1.00 1.07 H new ATOM 0 HG2 ARG A 72 9.384 -0.055 2.853 1.00 1.39 H new ATOM 0 HG3 ARG A 72 9.228 -1.710 3.408 1.00 1.39 H new ATOM 0 HD2 ARG A 72 8.377 -0.542 0.746 1.00 1.15 H new ATOM 0 HD3 ARG A 72 9.541 -1.818 1.045 1.00 1.15 H new ATOM 0 HE ARG A 72 6.740 -2.152 0.616 1.00 1.50 H new ATOM 0 HH11 ARG A 72 9.249 -3.352 2.806 1.00 2.11 H new ATOM 0 HH12 ARG A 72 8.491 -4.939 2.970 1.00 2.11 H new ATOM 0 HH21 ARG A 72 5.831 -4.210 0.793 1.00 2.62 H new ATOM 0 HH22 ARG A 72 6.576 -5.420 1.843 1.00 2.62 H new ATOM 1233 N MET B 1 -4.754 -24.028 -0.254 1.00 0.61 N ATOM 1234 CA MET B 1 -5.726 -23.247 0.543 1.00 0.57 C ATOM 1235 C MET B 1 -6.200 -22.039 -0.253 1.00 0.53 C ATOM 1236 O MET B 1 -5.446 -21.472 -1.045 1.00 0.56 O ATOM 1237 CB MET B 1 -5.095 -22.803 1.867 1.00 0.59 C ATOM 1238 CG MET B 1 -3.877 -21.908 1.705 1.00 0.58 C ATOM 1239 SD MET B 1 -2.999 -21.647 3.257 1.00 0.63 S ATOM 1240 CE MET B 1 -1.738 -20.487 2.735 1.00 0.64 C ATOM 0 H1 MET B 1 -4.359 -24.792 0.331 1.00 0.61 H new ATOM 0 H2 MET B 1 -5.233 -24.438 -1.081 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.986 -23.404 -0.573 1.00 0.61 H new ATOM 0 HA MET B 1 -6.586 -23.878 0.767 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.845 -22.275 2.455 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.809 -23.688 2.436 1.00 0.59 H new ATOM 0 HG2 MET B 1 -3.198 -22.353 0.978 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.189 -20.945 1.302 1.00 0.58 H new ATOM 0 HE1 MET B 1 -0.987 -20.389 3.519 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.265 -20.850 1.822 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.194 -19.515 2.546 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.445 -21.648 -0.041 1.00 0.59 N ATOM 1253 CA GLN B 2 -8.029 -20.520 -0.743 1.00 0.58 C ATOM 1254 C GLN B 2 -7.881 -19.245 0.082 1.00 0.55 C ATOM 1255 O GLN B 2 -7.980 -19.273 1.312 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.507 -20.825 -1.027 1.00 0.69 C ATOM 1257 CG GLN B 2 -10.426 -19.613 -1.015 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.891 -20.005 -1.006 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -12.511 -20.159 -2.057 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -12.457 -20.179 0.179 1.00 2.50 N ATOM 0 H GLN B 2 -8.076 -22.102 0.620 1.00 0.59 H new ATOM 0 HA GLN B 2 -7.508 -20.362 -1.687 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.582 -21.310 -2.000 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.864 -21.540 -0.286 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -10.209 -19.004 -0.138 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -10.222 -18.996 -1.890 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.911 -20.042 1.030 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -13.438 -20.450 0.241 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.620 -18.138 -0.596 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.468 -16.850 0.066 1.00 0.50 C ATOM 1271 C ILE B 3 -8.367 -15.813 -0.585 1.00 0.50 C ATOM 1272 O ILE B 3 -8.775 -15.969 -1.738 1.00 0.50 O ATOM 1273 CB ILE B 3 -6.011 -16.340 0.028 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.466 -16.380 -1.402 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -5.139 -17.159 0.969 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -4.221 -15.541 -1.597 1.00 0.55 C ATOM 0 H ILE B 3 -7.508 -18.105 -1.609 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.752 -16.997 1.108 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.994 -15.304 0.365 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -5.244 -17.413 -1.669 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -6.239 -16.033 -2.087 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -4.115 -16.788 0.931 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.520 -17.071 1.987 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -5.157 -18.205 0.664 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.890 -15.616 -2.633 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.443 -14.500 -1.362 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.432 -15.902 -0.937 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.678 -14.763 0.158 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.527 -13.694 -0.341 1.00 0.58 C ATOM 1290 C PHE B 4 -8.751 -12.387 -0.387 1.00 0.56 C ATOM 1291 O PHE B 4 -8.338 -11.867 0.646 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.765 -13.527 0.544 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.634 -14.748 0.607 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.588 -14.986 -0.368 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.498 -15.655 1.646 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -13.393 -16.106 -0.306 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -12.300 -16.775 1.712 1.00 1.24 C ATOM 1298 CZ PHE B 4 -13.248 -17.002 0.734 1.00 0.96 C ATOM 0 H PHE B 4 -8.352 -14.628 1.115 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.850 -13.957 -1.348 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.446 -13.267 1.553 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.356 -12.691 0.171 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.703 -14.289 -1.185 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.756 -15.483 2.412 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -14.135 -16.281 -1.071 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -12.187 -17.474 2.528 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.875 -17.880 0.783 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.540 -11.869 -1.583 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.811 -10.620 -1.751 1.00 0.54 C ATOM 1310 C VAL B 5 -8.792 -9.470 -1.955 1.00 0.55 C ATOM 1311 O VAL B 5 -9.441 -9.375 -2.996 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.834 -10.683 -2.944 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.830 -9.545 -2.868 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.117 -12.027 -2.991 1.00 0.57 C ATOM 0 H VAL B 5 -8.862 -12.292 -2.454 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.227 -10.454 -0.846 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.411 -10.576 -3.862 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.148 -9.604 -3.717 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.358 -8.592 -2.892 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.262 -9.622 -1.941 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.434 -12.046 -3.841 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.553 -12.171 -2.069 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.850 -12.827 -3.097 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.909 -8.612 -0.953 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.828 -7.482 -1.013 1.00 0.59 C ATOM 1326 C LYS B 6 -9.076 -6.157 -1.038 1.00 0.77 C ATOM 1327 O LYS B 6 -7.855 -6.121 -0.903 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.781 -7.520 0.182 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.629 -8.780 0.239 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.322 -8.919 1.583 1.00 1.36 C ATOM 1331 CE LYS B 6 -12.893 -10.313 1.771 1.00 1.66 C ATOM 1332 NZ LYS B 6 -12.996 -10.679 3.207 1.00 2.10 N ATOM 0 H LYS B 6 -8.377 -8.676 -0.085 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.401 -7.562 -1.937 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -10.202 -7.439 1.102 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.437 -6.651 0.141 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.374 -8.755 -0.556 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.000 -9.652 0.060 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -11.614 -8.703 2.383 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -13.122 -8.183 1.659 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -13.880 -10.367 1.311 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -12.261 -11.037 1.256 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -13.915 -11.132 3.385 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -12.231 -11.339 3.453 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -12.914 -9.822 3.790 1.00 2.10 H new ATOM 1346 N THR B 7 -9.813 -5.070 -1.205 1.00 0.98 N ATOM 1347 CA THR B 7 -9.222 -3.745 -1.249 1.00 1.24 C ATOM 1348 C THR B 7 -10.239 -2.688 -0.811 1.00 1.28 C ATOM 1349 O THR B 7 -11.382 -3.016 -0.488 1.00 1.19 O ATOM 1350 CB THR B 7 -8.689 -3.424 -2.664 1.00 1.42 C ATOM 1351 OG1 THR B 7 -7.944 -2.199 -2.654 1.00 2.41 O ATOM 1352 CG2 THR B 7 -9.826 -3.327 -3.672 1.00 1.57 C ATOM 0 H THR B 7 -10.827 -5.082 -1.313 1.00 0.98 H new ATOM 0 HA THR B 7 -8.381 -3.728 -0.556 1.00 1.24 H new ATOM 0 HB THR B 7 -8.032 -4.240 -2.963 1.00 1.42 H new ATOM 0 HG1 THR B 7 -7.019 -2.377 -2.924 1.00 2.41 H new ATOM 0 HG21 THR B 7 -9.420 -3.100 -4.658 1.00 1.57 H new ATOM 0 HG22 THR B 7 -10.361 -4.276 -3.709 1.00 1.57 H new ATOM 0 HG23 THR B 7 -10.512 -2.535 -3.371 1.00 1.57 H new ATOM 1360 N LEU B 8 -9.821 -1.428 -0.814 1.00 1.48 N ATOM 1361 CA LEU B 8 -10.681 -0.325 -0.399 1.00 1.61 C ATOM 1362 C LEU B 8 -11.493 0.207 -1.572 1.00 1.52 C ATOM 1363 O LEU B 8 -12.444 0.969 -1.392 1.00 1.55 O ATOM 1364 CB LEU B 8 -9.842 0.806 0.198 1.00 1.99 C ATOM 1365 CG LEU B 8 -8.887 0.390 1.319 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -8.047 1.573 1.768 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -9.663 -0.190 2.489 1.00 3.45 C ATOM 0 H LEU B 8 -8.885 -1.143 -1.101 1.00 1.48 H new ATOM 0 HA LEU B 8 -11.369 -0.704 0.357 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -9.260 1.265 -0.601 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -10.516 1.572 0.582 1.00 1.99 H new ATOM 0 HG LEU B 8 -8.217 -0.380 0.935 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -7.374 1.259 2.566 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -7.464 1.945 0.926 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -8.700 2.365 2.135 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -8.969 -0.481 3.278 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -10.356 0.559 2.873 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -10.222 -1.065 2.157 1.00 3.45 H new ATOM 1379 N THR B 9 -11.105 -0.184 -2.773 1.00 1.49 N ATOM 1380 CA THR B 9 -11.795 0.249 -3.975 1.00 1.52 C ATOM 1381 C THR B 9 -12.967 -0.682 -4.293 1.00 1.33 C ATOM 1382 O THR B 9 -13.837 -0.352 -5.101 1.00 1.63 O ATOM 1383 CB THR B 9 -10.821 0.302 -5.166 1.00 1.73 C ATOM 1384 OG1 THR B 9 -9.503 0.614 -4.692 1.00 1.99 O ATOM 1385 CG2 THR B 9 -11.251 1.354 -6.177 1.00 1.90 C ATOM 0 H THR B 9 -10.312 -0.803 -2.942 1.00 1.49 H new ATOM 0 HA THR B 9 -12.188 1.250 -3.799 1.00 1.52 H new ATOM 0 HB THR B 9 -10.824 -0.672 -5.655 1.00 1.73 H new ATOM 0 HG1 THR B 9 -9.484 1.536 -4.361 1.00 1.99 H new ATOM 0 HG21 THR B 9 -10.546 1.370 -7.008 1.00 1.90 H new ATOM 0 HG22 THR B 9 -12.246 1.114 -6.551 1.00 1.90 H new ATOM 0 HG23 THR B 9 -11.270 2.333 -5.698 1.00 1.90 H new ATOM 1393 N GLY B 10 -12.996 -1.836 -3.633 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.064 -2.791 -3.855 1.00 0.85 C ATOM 1395 C GLY B 10 -13.677 -3.872 -4.845 1.00 0.94 C ATOM 1396 O GLY B 10 -13.902 -3.731 -6.046 1.00 1.62 O ATOM 0 H GLY B 10 -12.298 -2.126 -2.948 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.338 -3.252 -2.906 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -14.947 -2.266 -4.221 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.093 -4.948 -4.337 1.00 0.95 N ATOM 1401 CA LYS B 11 -12.665 -6.068 -5.166 1.00 0.97 C ATOM 1402 C LYS B 11 -12.308 -7.255 -4.279 1.00 0.86 C ATOM 1403 O LYS B 11 -11.548 -7.112 -3.331 1.00 0.85 O ATOM 1404 CB LYS B 11 -11.454 -5.669 -6.026 1.00 1.16 C ATOM 1405 CG LYS B 11 -10.765 -6.840 -6.713 1.00 1.35 C ATOM 1406 CD LYS B 11 -11.539 -7.324 -7.930 1.00 1.35 C ATOM 1407 CE LYS B 11 -11.458 -6.333 -9.078 1.00 1.46 C ATOM 1408 NZ LYS B 11 -11.884 -6.941 -10.365 1.00 1.62 N ATOM 0 H LYS B 11 -12.903 -5.070 -3.342 1.00 0.95 H new ATOM 0 HA LYS B 11 -13.483 -6.348 -5.830 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -11.780 -4.957 -6.785 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -10.729 -5.154 -5.396 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -9.761 -6.542 -7.017 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -10.653 -7.661 -6.005 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -11.144 -8.288 -8.253 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -12.583 -7.482 -7.658 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -12.087 -5.470 -8.858 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -10.436 -5.967 -9.170 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -11.831 -6.228 -11.120 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -11.258 -7.738 -10.596 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -12.863 -7.283 -10.280 1.00 1.62 H new ATOM 1422 N THR B 12 -12.875 -8.413 -4.574 1.00 0.80 N ATOM 1423 CA THR B 12 -12.598 -9.615 -3.804 1.00 0.72 C ATOM 1424 C THR B 12 -12.131 -10.740 -4.723 1.00 0.71 C ATOM 1425 O THR B 12 -12.936 -11.400 -5.381 1.00 0.85 O ATOM 1426 CB THR B 12 -13.833 -10.075 -3.008 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.391 -8.960 -2.295 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.466 -11.179 -2.025 1.00 0.69 C ATOM 0 H THR B 12 -13.532 -8.547 -5.343 1.00 0.80 H new ATOM 0 HA THR B 12 -11.806 -9.373 -3.095 1.00 0.72 H new ATOM 0 HB THR B 12 -14.568 -10.468 -3.710 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.178 -9.255 -1.791 1.00 0.93 H new ATOM 0 HG21 THR B 12 -14.355 -11.487 -1.475 1.00 0.69 H new ATOM 0 HG22 THR B 12 -13.063 -12.033 -2.570 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.717 -10.809 -1.325 1.00 0.69 H new ATOM 1436 N ILE B 13 -10.824 -10.925 -4.790 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.239 -11.955 -5.631 1.00 0.59 C ATOM 1438 C ILE B 13 -10.085 -13.264 -4.867 1.00 0.56 C ATOM 1439 O ILE B 13 -9.570 -13.285 -3.747 1.00 0.55 O ATOM 1440 CB ILE B 13 -8.863 -11.520 -6.172 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -8.904 -10.053 -6.608 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.443 -12.410 -7.333 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -7.537 -9.441 -6.817 1.00 0.70 C ATOM 0 H ILE B 13 -10.144 -10.372 -4.269 1.00 0.60 H new ATOM 0 HA ILE B 13 -10.919 -12.107 -6.470 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.127 -11.624 -5.375 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.473 -9.975 -7.535 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.440 -9.475 -5.855 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.469 -12.089 -7.703 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.380 -13.444 -6.994 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.179 -12.335 -8.134 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -7.647 -8.401 -7.125 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -6.972 -9.486 -5.886 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.005 -9.994 -7.591 1.00 0.70 H new ATOM 1455 N THR B 14 -10.538 -14.345 -5.479 1.00 0.57 N ATOM 1456 CA THR B 14 -10.457 -15.667 -4.880 1.00 0.57 C ATOM 1457 C THR B 14 -9.392 -16.494 -5.596 1.00 0.55 C ATOM 1458 O THR B 14 -9.506 -16.763 -6.798 1.00 0.64 O ATOM 1459 CB THR B 14 -11.817 -16.386 -4.966 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.867 -15.420 -5.140 1.00 0.92 O ATOM 1461 CG2 THR B 14 -12.081 -17.205 -3.712 1.00 1.13 C ATOM 0 H THR B 14 -10.971 -14.332 -6.402 1.00 0.57 H new ATOM 0 HA THR B 14 -10.187 -15.556 -3.830 1.00 0.57 H new ATOM 0 HB THR B 14 -11.793 -17.062 -5.821 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.730 -15.881 -5.196 1.00 0.92 H new ATOM 0 HG21 THR B 14 -13.047 -17.702 -3.799 1.00 1.13 H new ATOM 0 HG22 THR B 14 -11.297 -17.953 -3.594 1.00 1.13 H new ATOM 0 HG23 THR B 14 -12.088 -16.547 -2.843 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.354 -16.887 -4.867 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.264 -17.663 -5.452 1.00 0.54 C ATOM 1471 C LEU B 15 -6.929 -18.884 -4.610 1.00 0.53 C ATOM 1472 O LEU B 15 -7.289 -18.961 -3.432 1.00 0.54 O ATOM 1473 CB LEU B 15 -6.000 -16.805 -5.565 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.188 -15.418 -6.170 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -5.038 -14.518 -5.758 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.288 -15.498 -7.687 1.00 0.72 C ATOM 0 H LEU B 15 -8.243 -16.683 -3.874 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.599 -17.986 -6.438 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.572 -16.691 -4.569 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.269 -17.346 -6.166 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.120 -14.996 -5.795 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.177 -13.528 -6.193 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -5.011 -14.437 -4.671 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -4.099 -14.942 -6.113 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.422 -14.497 -8.096 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -5.374 -15.935 -8.089 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -7.140 -16.120 -7.963 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.229 -19.823 -5.226 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.790 -21.032 -4.554 1.00 0.55 C ATOM 1490 C GLU B 16 -4.274 -20.981 -4.421 1.00 0.53 C ATOM 1491 O GLU B 16 -3.549 -21.053 -5.415 1.00 0.54 O ATOM 1492 CB GLU B 16 -6.224 -22.275 -5.336 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.883 -23.347 -4.475 1.00 1.06 C ATOM 1494 CD GLU B 16 -5.883 -24.218 -3.734 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -4.966 -24.762 -4.379 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -6.015 -24.374 -2.504 1.00 1.71 O ATOM 0 H GLU B 16 -5.950 -19.767 -6.206 1.00 0.55 H new ATOM 0 HA GLU B 16 -6.247 -21.093 -3.566 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.919 -21.975 -6.120 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -5.352 -22.704 -5.830 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.543 -22.868 -3.752 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.507 -23.979 -5.107 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.802 -20.842 -3.198 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.373 -20.742 -2.942 1.00 0.54 C ATOM 1505 C VAL B 17 -1.900 -21.832 -1.997 1.00 0.56 C ATOM 1506 O VAL B 17 -2.693 -22.426 -1.262 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.995 -19.370 -2.347 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.207 -18.259 -3.364 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.790 -19.100 -1.078 1.00 0.58 C ATOM 0 H VAL B 17 -4.386 -20.795 -2.363 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.880 -20.861 -3.907 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.936 -19.391 -2.090 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.933 -17.302 -2.920 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.585 -18.444 -4.240 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.255 -18.234 -3.662 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.510 -18.128 -0.673 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.855 -19.104 -1.308 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.575 -19.875 -0.342 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.606 -22.100 -2.027 1.00 0.59 N ATOM 1520 CA GLU B 18 -0.011 -23.101 -1.165 1.00 0.65 C ATOM 1521 C GLU B 18 0.628 -22.410 0.038 1.00 0.68 C ATOM 1522 O GLU B 18 1.000 -21.242 -0.048 1.00 0.70 O ATOM 1523 CB GLU B 18 1.031 -23.902 -1.951 1.00 0.73 C ATOM 1524 CG GLU B 18 0.524 -24.377 -3.307 1.00 1.05 C ATOM 1525 CD GLU B 18 1.615 -24.963 -4.179 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.352 -24.186 -4.825 1.00 2.71 O ATOM 1527 OE2 GLU B 18 1.736 -26.204 -4.229 1.00 2.32 O ATOM 0 H GLU B 18 0.056 -21.632 -2.646 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.776 -23.791 -0.808 1.00 0.65 H new ATOM 0 HB2 GLU B 18 1.919 -23.286 -2.097 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.336 -24.766 -1.361 1.00 0.73 H new ATOM 0 HG2 GLU B 18 -0.253 -25.126 -3.155 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.061 -23.539 -3.829 1.00 1.05 H new ATOM 1534 N PRO B 19 0.748 -23.107 1.177 1.00 0.79 N ATOM 1535 CA PRO B 19 1.338 -22.538 2.398 1.00 0.90 C ATOM 1536 C PRO B 19 2.733 -21.949 2.186 1.00 0.88 C ATOM 1537 O PRO B 19 3.045 -20.880 2.712 1.00 0.99 O ATOM 1538 CB PRO B 19 1.407 -23.736 3.348 1.00 1.03 C ATOM 1539 CG PRO B 19 0.331 -24.646 2.876 1.00 1.09 C ATOM 1540 CD PRO B 19 0.298 -24.495 1.382 1.00 0.88 C ATOM 0 HA PRO B 19 0.745 -21.702 2.769 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.383 -24.220 3.307 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.245 -23.433 4.382 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.538 -25.678 3.161 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.629 -24.380 3.318 1.00 1.09 H new ATOM 0 HD2 PRO B 19 0.958 -25.210 0.890 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.703 -24.658 0.982 1.00 0.88 H new ATOM 1548 N SER B 20 3.559 -22.639 1.407 1.00 0.82 N ATOM 1549 CA SER B 20 4.924 -22.190 1.151 1.00 0.88 C ATOM 1550 C SER B 20 5.033 -21.301 -0.090 1.00 0.86 C ATOM 1551 O SER B 20 6.139 -21.052 -0.574 1.00 0.90 O ATOM 1552 CB SER B 20 5.834 -23.407 0.993 1.00 0.92 C ATOM 1553 OG SER B 20 5.506 -24.412 1.942 1.00 0.87 O ATOM 0 H SER B 20 3.308 -23.511 0.942 1.00 0.82 H new ATOM 0 HA SER B 20 5.234 -21.586 2.004 1.00 0.88 H new ATOM 0 HB2 SER B 20 5.739 -23.809 -0.016 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.874 -23.107 1.120 1.00 0.92 H new ATOM 0 HG SER B 20 6.100 -25.182 1.821 1.00 0.87 H new ATOM 1559 N ASP B 21 3.907 -20.820 -0.609 1.00 0.81 N ATOM 1560 CA ASP B 21 3.930 -19.960 -1.790 1.00 0.80 C ATOM 1561 C ASP B 21 4.539 -18.606 -1.445 1.00 0.82 C ATOM 1562 O ASP B 21 4.559 -18.208 -0.277 1.00 0.83 O ATOM 1563 CB ASP B 21 2.516 -19.774 -2.355 1.00 0.75 C ATOM 1564 CG ASP B 21 2.511 -19.653 -3.867 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.584 -19.828 -4.479 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.434 -19.401 -4.449 1.00 1.08 O ATOM 0 H ASP B 21 2.976 -21.008 -0.236 1.00 0.81 H new ATOM 0 HA ASP B 21 4.544 -20.441 -2.551 1.00 0.80 H new ATOM 0 HB2 ASP B 21 1.895 -20.619 -2.058 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.068 -18.881 -1.920 1.00 0.75 H new ATOM 1571 N THR B 22 5.023 -17.898 -2.454 1.00 0.85 N ATOM 1572 CA THR B 22 5.641 -16.601 -2.239 1.00 0.89 C ATOM 1573 C THR B 22 4.683 -15.476 -2.608 1.00 0.79 C ATOM 1574 O THR B 22 3.791 -15.657 -3.438 1.00 0.73 O ATOM 1575 CB THR B 22 6.945 -16.450 -3.048 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.731 -16.828 -4.412 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.053 -17.302 -2.456 1.00 1.20 C ATOM 0 H THR B 22 4.999 -18.200 -3.428 1.00 0.85 H new ATOM 0 HA THR B 22 5.883 -16.536 -1.178 1.00 0.89 H new ATOM 0 HB THR B 22 7.246 -15.403 -3.005 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.386 -16.376 -4.983 1.00 1.11 H new ATOM 0 HG21 THR B 22 8.962 -17.178 -3.045 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.241 -16.991 -1.428 1.00 1.20 H new ATOM 0 HG23 THR B 22 7.753 -18.350 -2.469 1.00 1.20 H new ATOM 1585 N ILE B 23 4.878 -14.313 -1.996 1.00 0.80 N ATOM 1586 CA ILE B 23 4.030 -13.152 -2.247 1.00 0.73 C ATOM 1587 C ILE B 23 4.060 -12.757 -3.725 1.00 0.72 C ATOM 1588 O ILE B 23 3.026 -12.426 -4.310 1.00 0.66 O ATOM 1589 CB ILE B 23 4.465 -11.955 -1.370 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.379 -12.323 0.117 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.621 -10.722 -1.667 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.019 -12.836 0.546 1.00 0.80 C ATOM 0 H ILE B 23 5.622 -14.148 -1.317 1.00 0.80 H new ATOM 0 HA ILE B 23 3.008 -13.426 -1.984 1.00 0.73 H new ATOM 0 HB ILE B 23 5.501 -11.717 -1.611 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.129 -13.083 0.337 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.630 -11.446 0.713 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.949 -9.896 -1.036 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.736 -10.446 -2.715 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.573 -10.941 -1.463 1.00 0.70 H new ATOM 0 HD11 ILE B 23 3.039 -13.074 1.609 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.266 -12.070 0.360 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.773 -13.733 -0.022 1.00 0.80 H new ATOM 1604 N GLU B 24 5.240 -12.817 -4.330 1.00 0.80 N ATOM 1605 CA GLU B 24 5.393 -12.469 -5.737 1.00 0.84 C ATOM 1606 C GLU B 24 4.664 -13.478 -6.627 1.00 0.80 C ATOM 1607 O GLU B 24 4.184 -13.135 -7.710 1.00 0.80 O ATOM 1608 CB GLU B 24 6.889 -12.364 -6.094 1.00 0.98 C ATOM 1609 CG GLU B 24 7.318 -13.142 -7.332 1.00 1.20 C ATOM 1610 CD GLU B 24 7.763 -14.554 -7.008 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.771 -14.921 -5.814 1.00 3.05 O ATOM 1612 OE2 GLU B 24 8.107 -15.305 -7.943 1.00 2.73 O ATOM 0 H GLU B 24 6.104 -13.103 -3.869 1.00 0.80 H new ATOM 0 HA GLU B 24 4.937 -11.495 -5.916 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.138 -11.313 -6.241 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.474 -12.714 -5.244 1.00 0.98 H new ATOM 0 HG2 GLU B 24 6.489 -13.179 -8.038 1.00 1.20 H new ATOM 0 HG3 GLU B 24 8.133 -12.612 -7.825 1.00 1.20 H new ATOM 1619 N ASN B 25 4.556 -14.717 -6.158 1.00 0.80 N ATOM 1620 CA ASN B 25 3.879 -15.758 -6.922 1.00 0.79 C ATOM 1621 C ASN B 25 2.369 -15.568 -6.854 1.00 0.71 C ATOM 1622 O ASN B 25 1.647 -15.910 -7.789 1.00 0.72 O ATOM 1623 CB ASN B 25 4.260 -17.149 -6.415 1.00 0.80 C ATOM 1624 CG ASN B 25 4.093 -18.214 -7.484 1.00 0.84 C ATOM 1625 OD1 ASN B 25 4.226 -17.942 -8.679 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.800 -19.432 -7.068 1.00 1.12 N ATOM 0 H ASN B 25 4.926 -15.023 -5.258 1.00 0.80 H new ATOM 0 HA ASN B 25 4.199 -15.676 -7.961 1.00 0.79 H new ATOM 0 HB2 ASN B 25 5.295 -17.139 -6.073 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.642 -17.402 -5.553 1.00 0.80 H new ATOM 0 HD21 ASN B 25 3.676 -20.186 -7.744 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.698 -19.619 -6.071 1.00 1.12 H new ATOM 1633 N VAL B 26 1.895 -15.013 -5.743 1.00 0.67 N ATOM 1634 CA VAL B 26 0.469 -14.750 -5.571 1.00 0.60 C ATOM 1635 C VAL B 26 0.022 -13.691 -6.573 1.00 0.58 C ATOM 1636 O VAL B 26 -1.078 -13.760 -7.127 1.00 0.58 O ATOM 1637 CB VAL B 26 0.143 -14.271 -4.137 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.348 -14.004 -3.973 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.614 -15.289 -3.112 1.00 0.62 C ATOM 0 H VAL B 26 2.475 -14.737 -4.950 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.066 -15.684 -5.744 1.00 0.60 H new ATOM 0 HB VAL B 26 0.676 -13.335 -3.968 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.548 -13.669 -2.955 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.659 -13.232 -4.677 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.905 -14.920 -4.169 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.375 -14.933 -2.110 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.113 -16.241 -3.288 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.692 -15.424 -3.202 1.00 0.62 H new ATOM 1649 N LYS B 27 0.906 -12.731 -6.819 1.00 0.60 N ATOM 1650 CA LYS B 27 0.637 -11.657 -7.765 1.00 0.60 C ATOM 1651 C LYS B 27 0.459 -12.221 -9.167 1.00 0.62 C ATOM 1652 O LYS B 27 -0.380 -11.752 -9.941 1.00 0.61 O ATOM 1653 CB LYS B 27 1.781 -10.643 -7.761 1.00 0.64 C ATOM 1654 CG LYS B 27 1.938 -9.898 -6.448 1.00 0.59 C ATOM 1655 CD LYS B 27 3.019 -8.839 -6.548 1.00 0.66 C ATOM 1656 CE LYS B 27 3.106 -8.014 -5.276 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.135 -6.949 -5.381 1.00 0.99 N ATOM 0 H LYS B 27 1.821 -12.676 -6.372 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.282 -11.156 -7.462 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.713 -11.161 -7.987 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.616 -9.920 -8.560 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.991 -9.431 -6.175 1.00 0.59 H new ATOM 0 HG3 LYS B 27 2.187 -10.602 -5.654 1.00 0.59 H new ATOM 0 HD2 LYS B 27 3.980 -9.315 -6.741 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.812 -8.184 -7.395 1.00 0.66 H new ATOM 0 HE2 LYS B 27 2.136 -7.563 -5.068 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.342 -8.666 -4.435 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.335 -6.565 -4.435 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 5.007 -7.347 -5.784 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.785 -6.188 -5.997 1.00 0.99 H new ATOM 1671 N ALA B 28 1.248 -13.244 -9.480 1.00 0.67 N ATOM 1672 CA ALA B 28 1.189 -13.887 -10.784 1.00 0.73 C ATOM 1673 C ALA B 28 -0.147 -14.594 -10.968 1.00 0.71 C ATOM 1674 O ALA B 28 -0.647 -14.718 -12.087 1.00 0.74 O ATOM 1675 CB ALA B 28 2.340 -14.867 -10.947 1.00 0.81 C ATOM 0 H ALA B 28 1.938 -13.645 -8.844 1.00 0.67 H new ATOM 0 HA ALA B 28 1.281 -13.120 -11.553 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.280 -15.339 -11.928 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.287 -14.334 -10.858 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.279 -15.632 -10.172 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.732 -15.036 -9.860 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.016 -15.715 -9.899 1.00 0.70 C ATOM 1683 C LYS B 29 -3.107 -14.697 -10.189 1.00 0.70 C ATOM 1684 O LYS B 29 -3.990 -14.936 -11.015 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.281 -16.445 -8.582 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.326 -17.604 -8.340 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.630 -18.336 -7.044 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.917 -19.680 -6.985 1.00 0.84 C ATOM 1689 NZ LYS B 29 0.563 -19.537 -6.955 1.00 1.26 N ATOM 0 H LYS B 29 -0.335 -14.935 -8.926 1.00 0.68 H new ATOM 0 HA LYS B 29 -2.008 -16.464 -10.691 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.199 -15.736 -7.758 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.305 -16.819 -8.580 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -1.388 -18.304 -9.174 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.303 -17.230 -8.313 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.323 -17.722 -6.197 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.706 -18.489 -6.954 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -1.245 -20.223 -6.099 1.00 0.84 H new ATOM 0 HE3 LYS B 29 -1.204 -20.278 -7.850 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 0.985 -20.141 -7.689 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.820 -18.545 -7.134 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 0.921 -19.824 -6.022 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.046 -13.562 -9.496 1.00 0.65 N ATOM 1704 CA ILE B 30 -3.996 -12.479 -9.713 1.00 0.67 C ATOM 1705 C ILE B 30 -3.919 -12.000 -11.162 1.00 0.70 C ATOM 1706 O ILE B 30 -4.932 -11.680 -11.779 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.724 -11.291 -8.758 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -3.972 -11.711 -7.309 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.595 -10.096 -9.121 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.516 -10.692 -6.285 1.00 0.67 C ATOM 0 H ILE B 30 -2.347 -13.371 -8.779 1.00 0.65 H new ATOM 0 HA ILE B 30 -4.995 -12.863 -9.505 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.680 -10.996 -8.864 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -5.037 -11.896 -7.173 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.458 -12.654 -7.122 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.387 -9.273 -8.437 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.376 -9.783 -10.142 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.646 -10.375 -9.044 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.727 -11.064 -5.282 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.444 -10.523 -6.392 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.048 -9.754 -6.443 1.00 0.67 H new ATOM 1722 N GLN B 31 -2.711 -11.994 -11.709 1.00 0.74 N ATOM 1723 CA GLN B 31 -2.490 -11.566 -13.084 1.00 0.80 C ATOM 1724 C GLN B 31 -3.071 -12.584 -14.062 1.00 0.88 C ATOM 1725 O GLN B 31 -3.527 -12.232 -15.149 1.00 0.90 O ATOM 1726 CB GLN B 31 -0.995 -11.382 -13.343 1.00 0.83 C ATOM 1727 CG GLN B 31 -0.680 -10.805 -14.711 1.00 0.92 C ATOM 1728 CD GLN B 31 0.796 -10.532 -14.905 1.00 0.95 C ATOM 1729 OE1 GLN B 31 1.649 -11.223 -14.348 1.00 1.10 O ATOM 1730 NE2 GLN B 31 1.106 -9.517 -15.695 1.00 1.26 N ATOM 0 H GLN B 31 -1.865 -12.282 -11.218 1.00 0.74 H new ATOM 0 HA GLN B 31 -2.996 -10.613 -13.236 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -0.581 -10.726 -12.577 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -0.496 -12.346 -13.241 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -1.021 -11.498 -15.480 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -1.237 -9.878 -14.847 1.00 0.92 H new ATOM 0 HE21 GLN B 31 0.367 -8.970 -16.137 1.00 1.26 H new ATOM 0 HE22 GLN B 31 2.084 -9.281 -15.862 1.00 1.26 H new ATOM 1739 N ASP B 32 -3.060 -13.845 -13.665 1.00 0.95 N ATOM 1740 CA ASP B 32 -3.583 -14.920 -14.502 1.00 1.04 C ATOM 1741 C ASP B 32 -5.109 -14.934 -14.501 1.00 1.07 C ATOM 1742 O ASP B 32 -5.736 -15.545 -15.365 1.00 1.20 O ATOM 1743 CB ASP B 32 -3.057 -16.269 -14.014 1.00 1.03 C ATOM 1744 CG ASP B 32 -2.522 -17.122 -15.145 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -1.318 -17.014 -15.453 1.00 2.04 O ATOM 1746 OD2 ASP B 32 -3.296 -17.905 -15.729 1.00 1.80 O ATOM 0 H ASP B 32 -2.694 -14.154 -12.765 1.00 0.95 H new ATOM 0 HA ASP B 32 -3.243 -14.743 -15.522 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -2.267 -16.105 -13.281 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -3.857 -16.806 -13.505 1.00 1.03 H new ATOM 1751 N LYS B 33 -5.705 -14.253 -13.531 1.00 0.98 N ATOM 1752 CA LYS B 33 -7.156 -14.202 -13.414 1.00 1.04 C ATOM 1753 C LYS B 33 -7.684 -12.800 -13.718 1.00 1.03 C ATOM 1754 O LYS B 33 -8.336 -12.576 -14.737 1.00 1.08 O ATOM 1755 CB LYS B 33 -7.574 -14.633 -12.002 1.00 0.98 C ATOM 1756 CG LYS B 33 -9.044 -15.005 -11.871 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.320 -15.708 -10.550 1.00 1.27 C ATOM 1758 CE LYS B 33 -10.767 -16.160 -10.449 1.00 1.92 C ATOM 1759 NZ LYS B 33 -10.981 -17.088 -9.305 1.00 2.27 N ATOM 0 H LYS B 33 -5.205 -13.728 -12.813 1.00 0.98 H new ATOM 0 HA LYS B 33 -7.587 -14.887 -14.144 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -6.967 -15.487 -11.701 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -7.353 -13.823 -11.307 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -9.657 -14.106 -11.942 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -9.332 -15.654 -12.698 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -8.661 -16.571 -10.452 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -9.090 -15.035 -9.724 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -11.412 -15.289 -10.335 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -11.059 -16.654 -11.376 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -11.975 -17.044 -9.003 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -10.751 -18.059 -9.598 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -10.366 -16.811 -8.513 1.00 2.27 H new ATOM 1773 N GLU B 34 -7.385 -11.862 -12.829 1.00 0.99 N ATOM 1774 CA GLU B 34 -7.829 -10.476 -12.971 1.00 0.98 C ATOM 1775 C GLU B 34 -7.039 -9.735 -14.049 1.00 0.99 C ATOM 1776 O GLU B 34 -7.484 -8.706 -14.558 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.693 -9.743 -11.635 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.466 -10.391 -10.498 1.00 0.92 C ATOM 1779 CD GLU B 34 -9.962 -10.326 -10.705 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.504 -9.206 -10.811 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.607 -11.390 -10.766 1.00 1.20 O ATOM 0 H GLU B 34 -6.830 -12.036 -11.991 1.00 0.99 H new ATOM 0 HA GLU B 34 -8.875 -10.495 -13.276 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.638 -9.695 -11.364 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.038 -8.716 -11.758 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.160 -11.433 -10.403 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -8.210 -9.897 -9.561 1.00 0.92 H new ATOM 1788 N GLY B 35 -5.878 -10.267 -14.404 1.00 1.00 N ATOM 1789 CA GLY B 35 -5.051 -9.637 -15.421 1.00 1.02 C ATOM 1790 C GLY B 35 -4.280 -8.428 -14.918 1.00 0.97 C ATOM 1791 O GLY B 35 -3.654 -7.718 -15.705 1.00 1.00 O ATOM 0 H GLY B 35 -5.491 -11.124 -14.008 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -4.345 -10.371 -15.809 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -5.684 -9.332 -16.254 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.323 -8.188 -13.616 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.621 -7.055 -13.024 1.00 0.84 C ATOM 1797 C ILE B 36 -2.116 -7.322 -12.951 1.00 0.83 C ATOM 1798 O ILE B 36 -1.692 -8.323 -12.377 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.153 -6.745 -11.608 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.682 -6.630 -11.628 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.529 -5.463 -11.069 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.301 -6.479 -10.255 1.00 0.81 C ATOM 0 H ILE B 36 -4.837 -8.762 -12.947 1.00 0.89 H new ATOM 0 HA ILE B 36 -3.802 -6.193 -13.666 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.874 -7.565 -10.947 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.965 -5.773 -12.240 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.097 -7.516 -12.108 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.917 -5.262 -10.070 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.446 -5.577 -11.022 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.778 -4.632 -11.729 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.384 -6.404 -10.351 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.050 -7.347 -9.645 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.915 -5.577 -9.779 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.293 -6.446 -13.553 1.00 0.87 N ATOM 1815 CA PRO B 37 0.171 -6.585 -13.535 1.00 0.88 C ATOM 1816 C PRO B 37 0.746 -6.500 -12.116 1.00 0.79 C ATOM 1817 O PRO B 37 0.358 -5.627 -11.337 1.00 0.71 O ATOM 1818 CB PRO B 37 0.658 -5.402 -14.381 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.525 -4.979 -15.181 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.719 -5.265 -14.321 1.00 0.93 C ATOM 0 HA PRO B 37 0.490 -7.555 -13.916 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.018 -4.589 -13.750 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.486 -5.695 -15.027 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.469 -3.920 -15.433 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -0.579 -5.528 -16.121 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.959 -4.424 -13.670 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -2.608 -5.470 -14.918 1.00 0.93 H new ATOM 1828 N PRO B 38 1.683 -7.405 -11.765 1.00 0.82 N ATOM 1829 CA PRO B 38 2.315 -7.447 -10.434 1.00 0.76 C ATOM 1830 C PRO B 38 2.961 -6.127 -10.018 1.00 0.72 C ATOM 1831 O PRO B 38 2.959 -5.779 -8.838 1.00 0.67 O ATOM 1832 CB PRO B 38 3.387 -8.531 -10.578 1.00 0.86 C ATOM 1833 CG PRO B 38 2.910 -9.394 -11.687 1.00 0.95 C ATOM 1834 CD PRO B 38 2.192 -8.479 -12.637 1.00 0.93 C ATOM 0 HA PRO B 38 1.573 -7.644 -9.660 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.360 -8.096 -10.806 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.500 -9.100 -9.655 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.744 -9.894 -12.180 1.00 0.95 H new ATOM 0 HG3 PRO B 38 2.245 -10.174 -11.317 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.863 -8.090 -13.403 1.00 0.93 H new ATOM 0 HD3 PRO B 38 1.382 -8.993 -13.154 1.00 0.93 H new ATOM 1842 N ASP B 39 3.497 -5.386 -10.986 1.00 0.79 N ATOM 1843 CA ASP B 39 4.150 -4.104 -10.701 1.00 0.82 C ATOM 1844 C ASP B 39 3.139 -3.075 -10.194 1.00 0.72 C ATOM 1845 O ASP B 39 3.511 -2.050 -9.622 1.00 0.76 O ATOM 1846 CB ASP B 39 4.867 -3.565 -11.947 1.00 0.97 C ATOM 1847 CG ASP B 39 3.955 -2.761 -12.856 1.00 1.25 C ATOM 1848 OD1 ASP B 39 3.219 -3.375 -13.657 1.00 1.92 O ATOM 1849 OD2 ASP B 39 3.975 -1.513 -12.779 1.00 1.76 O ATOM 0 H ASP B 39 3.494 -5.648 -11.972 1.00 0.79 H new ATOM 0 HA ASP B 39 4.890 -4.278 -9.920 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.704 -2.939 -11.636 1.00 0.97 H new ATOM 0 HB3 ASP B 39 5.285 -4.400 -12.508 1.00 0.97 H new ATOM 1854 N GLN B 40 1.862 -3.368 -10.389 1.00 0.64 N ATOM 1855 CA GLN B 40 0.797 -2.480 -9.955 1.00 0.59 C ATOM 1856 C GLN B 40 0.046 -3.091 -8.779 1.00 0.52 C ATOM 1857 O GLN B 40 -0.934 -2.527 -8.292 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.163 -2.193 -11.114 1.00 0.63 C ATOM 1859 CG GLN B 40 0.329 -1.098 -12.045 1.00 0.74 C ATOM 1860 CD GLN B 40 -0.066 -1.327 -13.490 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -1.143 -0.915 -13.930 1.00 1.81 O ATOM 1862 NE2 GLN B 40 0.805 -1.980 -14.242 1.00 1.91 N ATOM 0 H GLN B 40 1.538 -4.219 -10.848 1.00 0.64 H new ATOM 0 HA GLN B 40 1.239 -1.537 -9.631 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.313 -3.108 -11.688 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.134 -1.907 -10.710 1.00 0.63 H new ATOM 0 HG2 GLN B 40 -0.070 -0.140 -11.713 1.00 0.74 H new ATOM 0 HG3 GLN B 40 1.415 -1.032 -11.977 1.00 0.74 H new ATOM 0 HE21 GLN B 40 1.684 -2.304 -13.839 1.00 1.91 H new ATOM 0 HE22 GLN B 40 0.597 -2.159 -15.224 1.00 1.91 H new ATOM 1871 N GLN B 41 0.535 -4.234 -8.316 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.084 -4.946 -7.206 1.00 0.42 C ATOM 1873 C GLN B 41 0.667 -4.712 -5.901 1.00 0.46 C ATOM 1874 O GLN B 41 1.853 -5.031 -5.793 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.092 -6.448 -7.475 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.008 -6.895 -8.595 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.131 -8.402 -8.632 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.100 -9.058 -7.595 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.244 -8.967 -9.818 1.00 0.74 N ATOM 0 H GLN B 41 1.365 -4.690 -8.695 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.101 -4.565 -7.115 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.924 -6.765 -7.709 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.384 -6.964 -6.560 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -1.994 -6.450 -8.461 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.623 -6.535 -9.549 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.266 -8.389 -10.658 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.309 -9.982 -9.895 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.010 -4.136 -4.922 1.00 0.36 N ATOM 1889 CA ARG B 42 0.588 -3.915 -3.614 1.00 0.39 C ATOM 1890 C ARG B 42 -0.145 -4.748 -2.570 1.00 0.37 C ATOM 1891 O ARG B 42 -1.194 -4.348 -2.071 1.00 0.43 O ATOM 1892 CB ARG B 42 0.542 -2.435 -3.228 1.00 0.50 C ATOM 1893 CG ARG B 42 1.320 -1.528 -4.166 1.00 0.95 C ATOM 1894 CD ARG B 42 2.772 -1.962 -4.291 1.00 1.32 C ATOM 1895 NE ARG B 42 3.588 -0.938 -4.935 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.084 -1.036 -6.168 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.888 -2.135 -6.888 1.00 3.02 N ATOM 1898 NH2 ARG B 42 4.790 -0.037 -6.674 1.00 3.22 N ATOM 0 H ARG B 42 -0.974 -3.813 -5.007 1.00 0.36 H new ATOM 0 HA ARG B 42 1.634 -4.220 -3.658 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.498 -2.109 -3.203 1.00 0.50 H new ATOM 0 HB3 ARG B 42 0.936 -2.321 -2.218 1.00 0.50 H new ATOM 0 HG2 ARG B 42 0.852 -1.535 -5.150 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.277 -0.502 -3.800 1.00 0.95 H new ATOM 0 HD2 ARG B 42 3.174 -2.178 -3.301 1.00 1.32 H new ATOM 0 HD3 ARG B 42 2.827 -2.886 -4.866 1.00 1.32 H new ATOM 0 HE ARG B 42 3.792 -0.090 -4.406 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.354 -2.912 -6.498 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.271 -2.202 -7.831 1.00 3.02 H new ATOM 0 HH21 ARG B 42 4.953 0.804 -6.120 1.00 3.22 H new ATOM 0 HH22 ARG B 42 5.171 -0.108 -7.617 1.00 3.22 H new ATOM 1912 N LEU B 43 0.400 -5.920 -2.265 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.209 -6.812 -1.284 1.00 0.41 C ATOM 1914 C LEU B 43 0.076 -6.332 0.133 1.00 0.41 C ATOM 1915 O LEU B 43 1.195 -5.926 0.453 1.00 0.45 O ATOM 1916 CB LEU B 43 0.283 -8.247 -1.481 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.485 -9.051 -2.534 1.00 0.64 C ATOM 1918 CD1 LEU B 43 0.214 -10.369 -2.822 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -1.914 -9.304 -2.076 1.00 0.85 C ATOM 0 H LEU B 43 1.261 -6.275 -2.682 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.288 -6.799 -1.435 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.336 -8.220 -1.762 1.00 0.46 H new ATOM 0 HB3 LEU B 43 0.221 -8.771 -0.527 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.511 -8.466 -3.453 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.349 -10.923 -3.573 1.00 1.33 H new ATOM 0 HD12 LEU B 43 1.220 -10.174 -3.194 1.00 1.33 H new ATOM 0 HD13 LEU B 43 0.274 -10.957 -1.906 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.444 -9.877 -2.837 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -1.903 -9.866 -1.142 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.420 -8.351 -1.921 1.00 0.85 H new ATOM 1931 N ILE B 44 -0.945 -6.386 0.976 1.00 0.39 N ATOM 1932 CA ILE B 44 -0.840 -5.927 2.354 1.00 0.43 C ATOM 1933 C ILE B 44 -1.562 -6.884 3.307 1.00 0.45 C ATOM 1934 O ILE B 44 -2.557 -7.515 2.939 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.430 -4.498 2.491 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -0.589 -3.497 1.694 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.519 -4.063 3.949 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -1.344 -2.251 1.300 1.00 1.03 C ATOM 0 H ILE B 44 -1.866 -6.747 0.726 1.00 0.39 H new ATOM 0 HA ILE B 44 0.216 -5.905 2.623 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.442 -4.519 2.087 1.00 0.47 H new ATOM 0 HG12 ILE B 44 0.280 -3.213 2.287 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -0.215 -3.985 0.794 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -1.937 -3.058 4.004 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.161 -4.753 4.496 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.523 -4.067 4.391 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -0.685 -1.589 0.739 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -2.198 -2.524 0.680 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -1.695 -1.739 2.196 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.044 -6.979 4.525 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.607 -7.828 5.564 1.00 0.52 C ATOM 1952 C PHE B 45 -1.132 -7.321 6.917 1.00 0.58 C ATOM 1953 O PHE B 45 -0.013 -6.822 7.027 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.184 -9.286 5.369 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.942 -10.262 6.228 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -3.292 -10.489 6.015 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -1.302 -10.957 7.243 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.991 -11.388 6.800 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.996 -11.856 8.032 1.00 1.31 C ATOM 1960 CZ PHE B 45 -3.342 -12.073 7.809 1.00 0.97 C ATOM 0 H PHE B 45 -0.215 -6.464 4.821 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.695 -7.788 5.510 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.321 -9.557 4.322 1.00 0.64 H new ATOM 0 HB3 PHE B 45 -0.120 -9.377 5.586 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.805 -9.958 5.227 1.00 0.92 H new ATOM 0 HD2 PHE B 45 -0.249 -10.794 7.419 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -5.044 -11.554 6.624 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -1.486 -12.388 8.822 1.00 1.31 H new ATOM 0 HZ PHE B 45 -3.886 -12.777 8.422 1.00 0.97 H new ATOM 1970 N ALA B 46 -1.978 -7.446 7.936 1.00 0.75 N ATOM 1971 CA ALA B 46 -1.658 -6.982 9.292 1.00 0.94 C ATOM 1972 C ALA B 46 -1.219 -5.512 9.322 1.00 0.87 C ATOM 1973 O ALA B 46 -0.555 -5.073 10.262 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.581 -7.866 9.910 1.00 1.07 C ATOM 0 H ALA B 46 -2.902 -7.869 7.851 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.573 -7.055 9.880 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -0.352 -7.512 10.915 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -0.939 -8.894 9.960 1.00 1.07 H new ATOM 0 HB3 ALA B 46 0.319 -7.825 9.297 1.00 1.07 H new ATOM 1980 N GLY B 47 -1.594 -4.753 8.294 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.223 -3.349 8.230 1.00 0.87 C ATOM 1982 C GLY B 47 0.180 -3.130 7.695 1.00 0.74 C ATOM 1983 O GLY B 47 0.703 -2.013 7.733 1.00 0.85 O ATOM 0 H GLY B 47 -2.148 -5.085 7.505 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -1.934 -2.820 7.596 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.298 -2.913 9.226 1.00 0.87 H new ATOM 1987 N LYS B 48 0.791 -4.190 7.196 1.00 0.58 N ATOM 1988 CA LYS B 48 2.134 -4.111 6.651 1.00 0.54 C ATOM 1989 C LYS B 48 2.137 -4.592 5.208 1.00 0.51 C ATOM 1990 O LYS B 48 1.384 -5.498 4.846 1.00 0.55 O ATOM 1991 CB LYS B 48 3.100 -4.962 7.480 1.00 0.56 C ATOM 1992 CG LYS B 48 4.542 -4.483 7.416 1.00 1.38 C ATOM 1993 CD LYS B 48 5.527 -5.616 7.666 1.00 1.44 C ATOM 1994 CE LYS B 48 5.792 -6.412 6.400 1.00 2.31 C ATOM 1995 NZ LYS B 48 7.091 -7.135 6.458 1.00 2.94 N ATOM 0 H LYS B 48 0.375 -5.121 7.157 1.00 0.58 H new ATOM 0 HA LYS B 48 2.462 -3.072 6.687 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.771 -4.961 8.519 1.00 0.56 H new ATOM 0 HB3 LYS B 48 3.053 -5.994 7.132 1.00 0.56 H new ATOM 0 HG2 LYS B 48 4.735 -4.043 6.438 1.00 1.38 H new ATOM 0 HG3 LYS B 48 4.697 -3.697 8.155 1.00 1.38 H new ATOM 0 HD2 LYS B 48 6.465 -5.208 8.043 1.00 1.44 H new ATOM 0 HD3 LYS B 48 5.134 -6.278 8.438 1.00 1.44 H new ATOM 0 HE2 LYS B 48 4.985 -7.128 6.247 1.00 2.31 H new ATOM 0 HE3 LYS B 48 5.789 -5.740 5.542 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 7.004 -8.045 5.963 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 7.828 -6.561 6.001 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 7.350 -7.304 7.451 1.00 2.94 H new ATOM 2006 N GLN B 49 2.966 -3.973 4.385 1.00 0.54 N ATOM 2007 CA GLN B 49 3.069 -4.356 2.990 1.00 0.54 C ATOM 2008 C GLN B 49 3.842 -5.666 2.890 1.00 0.54 C ATOM 2009 O GLN B 49 4.925 -5.799 3.458 1.00 0.66 O ATOM 2010 CB GLN B 49 3.755 -3.254 2.180 1.00 0.61 C ATOM 2011 CG GLN B 49 3.089 -2.974 0.839 1.00 0.91 C ATOM 2012 CD GLN B 49 3.910 -2.049 -0.038 1.00 1.34 C ATOM 2013 OE1 GLN B 49 5.137 -2.080 -0.011 1.00 1.56 O ATOM 2014 NE2 GLN B 49 3.239 -1.213 -0.814 1.00 2.24 N ATOM 0 H GLN B 49 3.577 -3.204 4.660 1.00 0.54 H new ATOM 0 HA GLN B 49 2.071 -4.497 2.576 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.766 -2.337 2.768 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.794 -3.535 2.008 1.00 0.61 H new ATOM 0 HG2 GLN B 49 2.926 -3.916 0.315 1.00 0.91 H new ATOM 0 HG3 GLN B 49 2.108 -2.531 1.010 1.00 0.91 H new ATOM 0 HE21 GLN B 49 2.219 -1.218 -0.808 1.00 2.24 H new ATOM 0 HE22 GLN B 49 3.742 -0.563 -1.419 1.00 2.24 H new ATOM 2023 N LEU B 50 3.294 -6.621 2.161 1.00 0.60 N ATOM 2024 CA LEU B 50 3.914 -7.930 2.029 1.00 0.66 C ATOM 2025 C LEU B 50 5.069 -7.902 1.038 1.00 0.68 C ATOM 2026 O LEU B 50 4.879 -7.580 -0.134 1.00 0.66 O ATOM 2027 CB LEU B 50 2.871 -8.960 1.591 1.00 0.70 C ATOM 2028 CG LEU B 50 1.628 -9.046 2.479 1.00 1.06 C ATOM 2029 CD1 LEU B 50 0.723 -10.176 2.019 1.00 1.76 C ATOM 2030 CD2 LEU B 50 2.021 -9.238 3.935 1.00 1.23 C ATOM 0 H LEU B 50 2.418 -6.516 1.649 1.00 0.60 H new ATOM 0 HA LEU B 50 4.316 -8.212 3.002 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.556 -8.725 0.574 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.344 -9.942 1.559 1.00 0.70 H new ATOM 0 HG LEU B 50 1.080 -8.108 2.393 1.00 1.06 H new ATOM 0 HD11 LEU B 50 -0.156 -10.223 2.662 1.00 1.76 H new ATOM 0 HD12 LEU B 50 0.411 -9.997 0.990 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.264 -11.121 2.075 1.00 1.76 H new ATOM 0 HD21 LEU B 50 1.123 -9.297 4.550 1.00 1.23 H new ATOM 0 HD22 LEU B 50 2.593 -10.160 4.039 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.630 -8.395 4.262 1.00 1.23 H new ATOM 2042 N GLU B 51 6.268 -8.203 1.521 1.00 0.75 N ATOM 2043 CA GLU B 51 7.453 -8.238 0.674 1.00 0.83 C ATOM 2044 C GLU B 51 7.332 -9.348 -0.369 1.00 0.76 C ATOM 2045 O GLU B 51 6.977 -10.479 -0.044 1.00 0.70 O ATOM 2046 CB GLU B 51 8.710 -8.458 1.515 1.00 1.00 C ATOM 2047 CG GLU B 51 9.226 -7.209 2.209 1.00 1.33 C ATOM 2048 CD GLU B 51 8.824 -7.137 3.668 1.00 1.68 C ATOM 2049 OE1 GLU B 51 9.151 -8.070 4.429 1.00 2.36 O ATOM 2050 OE2 GLU B 51 8.185 -6.143 4.061 1.00 2.14 O ATOM 0 H GLU B 51 6.445 -8.427 2.500 1.00 0.75 H new ATOM 0 HA GLU B 51 7.532 -7.278 0.165 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.500 -9.217 2.268 1.00 1.00 H new ATOM 0 HB3 GLU B 51 9.497 -8.854 0.873 1.00 1.00 H new ATOM 0 HG2 GLU B 51 10.313 -7.181 2.135 1.00 1.33 H new ATOM 0 HG3 GLU B 51 8.848 -6.328 1.689 1.00 1.33 H new ATOM 2057 N ASP B 52 7.653 -9.017 -1.612 1.00 0.84 N ATOM 2058 CA ASP B 52 7.569 -9.965 -2.726 1.00 0.88 C ATOM 2059 C ASP B 52 8.465 -11.189 -2.511 1.00 0.92 C ATOM 2060 O ASP B 52 8.178 -12.275 -3.019 1.00 1.42 O ATOM 2061 CB ASP B 52 7.954 -9.272 -4.042 1.00 1.02 C ATOM 2062 CG ASP B 52 6.903 -8.290 -4.536 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.507 -7.391 -3.765 1.00 1.32 O ATOM 2064 OD2 ASP B 52 6.472 -8.397 -5.703 1.00 1.52 O ATOM 0 H ASP B 52 7.978 -8.089 -1.881 1.00 0.84 H new ATOM 0 HA ASP B 52 6.537 -10.311 -2.777 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.898 -8.744 -3.904 1.00 1.02 H new ATOM 0 HB3 ASP B 52 8.122 -10.029 -4.808 1.00 1.02 H new ATOM 2069 N GLY B 53 9.539 -11.019 -1.744 1.00 0.79 N ATOM 2070 CA GLY B 53 10.461 -12.117 -1.500 1.00 0.88 C ATOM 2071 C GLY B 53 10.101 -12.969 -0.292 1.00 0.84 C ATOM 2072 O GLY B 53 10.872 -13.844 0.101 1.00 0.93 O ATOM 0 H GLY B 53 9.788 -10.142 -1.287 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.494 -12.754 -2.384 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.463 -11.712 -1.361 1.00 0.88 H new ATOM 2076 N ARG B 54 8.944 -12.726 0.303 1.00 0.76 N ATOM 2077 CA ARG B 54 8.520 -13.497 1.466 1.00 0.79 C ATOM 2078 C ARG B 54 7.444 -14.507 1.088 1.00 0.72 C ATOM 2079 O ARG B 54 6.905 -14.471 -0.022 1.00 0.69 O ATOM 2080 CB ARG B 54 8.002 -12.568 2.562 1.00 0.83 C ATOM 2081 CG ARG B 54 9.028 -11.554 3.035 1.00 1.00 C ATOM 2082 CD ARG B 54 10.122 -12.203 3.863 1.00 1.22 C ATOM 2083 NE ARG B 54 9.792 -12.225 5.284 1.00 2.01 N ATOM 2084 CZ ARG B 54 10.496 -12.875 6.202 1.00 2.69 C ATOM 2085 NH1 ARG B 54 11.564 -13.584 5.856 1.00 2.90 N ATOM 2086 NH2 ARG B 54 10.125 -12.811 7.470 1.00 3.65 N ATOM 0 H ARG B 54 8.285 -12.007 0.005 1.00 0.76 H new ATOM 0 HA ARG B 54 9.386 -14.041 1.842 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.124 -12.038 2.193 1.00 0.83 H new ATOM 0 HB3 ARG B 54 7.678 -13.168 3.412 1.00 0.83 H new ATOM 0 HG2 ARG B 54 9.472 -11.057 2.173 1.00 1.00 H new ATOM 0 HG3 ARG B 54 8.532 -10.784 3.627 1.00 1.00 H new ATOM 0 HD2 ARG B 54 10.285 -13.222 3.513 1.00 1.22 H new ATOM 0 HD3 ARG B 54 11.057 -11.662 3.716 1.00 1.22 H new ATOM 0 HE ARG B 54 8.968 -11.708 5.591 1.00 2.01 H new ATOM 0 HH11 ARG B 54 11.849 -13.632 4.878 1.00 2.90 H new ATOM 0 HH12 ARG B 54 12.099 -14.080 6.568 1.00 2.90 H new ATOM 0 HH21 ARG B 54 9.305 -12.266 7.734 1.00 3.65 H new ATOM 0 HH22 ARG B 54 10.659 -13.307 8.183 1.00 3.65 H new ATOM 2100 N THR B 55 7.134 -15.404 2.014 1.00 0.72 N ATOM 2101 CA THR B 55 6.118 -16.417 1.789 1.00 0.68 C ATOM 2102 C THR B 55 4.905 -16.141 2.665 1.00 0.66 C ATOM 2103 O THR B 55 4.959 -15.296 3.563 1.00 0.69 O ATOM 2104 CB THR B 55 6.638 -17.839 2.101 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.034 -17.935 3.478 1.00 0.90 O ATOM 2106 CG2 THR B 55 7.810 -18.203 1.204 1.00 0.76 C ATOM 0 H THR B 55 7.576 -15.449 2.932 1.00 0.72 H new ATOM 0 HA THR B 55 5.848 -16.371 0.734 1.00 0.68 H new ATOM 0 HB THR B 55 5.826 -18.540 1.910 1.00 0.75 H new ATOM 0 HG1 THR B 55 7.886 -17.467 3.607 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.155 -19.208 1.446 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.494 -18.169 0.161 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.622 -17.493 1.361 1.00 0.76 H new ATOM 2114 N LEU B 56 3.812 -16.846 2.407 1.00 0.63 N ATOM 2115 CA LEU B 56 2.604 -16.676 3.199 1.00 0.63 C ATOM 2116 C LEU B 56 2.866 -17.093 4.641 1.00 0.70 C ATOM 2117 O LEU B 56 2.354 -16.483 5.584 1.00 0.71 O ATOM 2118 CB LEU B 56 1.446 -17.485 2.609 1.00 0.62 C ATOM 2119 CG LEU B 56 0.719 -16.819 1.434 1.00 0.58 C ATOM 2120 CD1 LEU B 56 1.451 -17.084 0.129 1.00 1.15 C ATOM 2121 CD2 LEU B 56 -0.719 -17.307 1.348 1.00 1.26 C ATOM 0 H LEU B 56 3.738 -17.537 1.660 1.00 0.63 H new ATOM 0 HA LEU B 56 2.322 -15.623 3.180 1.00 0.63 H new ATOM 0 HB2 LEU B 56 1.829 -18.451 2.279 1.00 0.62 H new ATOM 0 HB3 LEU B 56 0.722 -17.683 3.399 1.00 0.62 H new ATOM 0 HG LEU B 56 0.707 -15.743 1.607 1.00 0.58 H new ATOM 0 HD11 LEU B 56 0.918 -16.603 -0.691 1.00 1.15 H new ATOM 0 HD12 LEU B 56 2.462 -16.682 0.191 1.00 1.15 H new ATOM 0 HD13 LEU B 56 1.498 -18.158 -0.050 1.00 1.15 H new ATOM 0 HD21 LEU B 56 -1.218 -16.823 0.508 1.00 1.26 H new ATOM 0 HD22 LEU B 56 -0.729 -18.387 1.202 1.00 1.26 H new ATOM 0 HD23 LEU B 56 -1.243 -17.061 2.272 1.00 1.26 H new ATOM 2133 N SER B 57 3.685 -18.126 4.804 1.00 0.76 N ATOM 2134 CA SER B 57 4.046 -18.632 6.119 1.00 0.85 C ATOM 2135 C SER B 57 4.848 -17.599 6.912 1.00 0.90 C ATOM 2136 O SER B 57 4.809 -17.587 8.141 1.00 0.98 O ATOM 2137 CB SER B 57 4.855 -19.919 5.957 1.00 0.95 C ATOM 2138 OG SER B 57 5.349 -20.038 4.629 1.00 0.98 O ATOM 0 H SER B 57 4.115 -18.633 4.030 1.00 0.76 H new ATOM 0 HA SER B 57 3.132 -18.838 6.677 1.00 0.85 H new ATOM 0 HB2 SER B 57 5.687 -19.923 6.661 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.231 -20.780 6.197 1.00 0.95 H new ATOM 0 HG SER B 57 5.902 -19.258 4.415 1.00 0.98 H new ATOM 2144 N ASP B 58 5.554 -16.721 6.203 1.00 0.87 N ATOM 2145 CA ASP B 58 6.366 -15.687 6.847 1.00 0.93 C ATOM 2146 C ASP B 58 5.483 -14.613 7.475 1.00 0.91 C ATOM 2147 O ASP B 58 5.937 -13.840 8.318 1.00 0.95 O ATOM 2148 CB ASP B 58 7.317 -15.026 5.843 1.00 0.97 C ATOM 2149 CG ASP B 58 8.473 -15.917 5.437 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.131 -16.500 6.326 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.732 -16.035 4.220 1.00 1.61 O ATOM 0 H ASP B 58 5.581 -16.703 5.184 1.00 0.87 H new ATOM 0 HA ASP B 58 6.951 -16.176 7.626 1.00 0.93 H new ATOM 0 HB2 ASP B 58 6.755 -14.743 4.953 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.711 -14.107 6.277 1.00 0.97 H new ATOM 2156 N TYR B 59 4.225 -14.568 7.062 1.00 0.86 N ATOM 2157 CA TYR B 59 3.289 -13.580 7.582 1.00 0.87 C ATOM 2158 C TYR B 59 2.151 -14.249 8.341 1.00 0.88 C ATOM 2159 O TYR B 59 1.203 -13.585 8.760 1.00 0.91 O ATOM 2160 CB TYR B 59 2.724 -12.740 6.439 1.00 0.81 C ATOM 2161 CG TYR B 59 3.741 -11.836 5.792 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.287 -10.771 6.491 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.152 -12.047 4.484 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.213 -9.936 5.904 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.081 -11.216 3.891 1.00 0.80 C ATOM 2166 CZ TYR B 59 5.609 -10.162 4.604 1.00 0.83 C ATOM 2167 OH TYR B 59 6.535 -9.328 4.016 1.00 0.90 O ATOM 0 H TYR B 59 3.828 -15.203 6.369 1.00 0.86 H new ATOM 0 HA TYR B 59 3.830 -12.934 8.273 1.00 0.87 H new ATOM 0 HB2 TYR B 59 2.308 -13.405 5.682 1.00 0.81 H new ATOM 0 HB3 TYR B 59 1.901 -12.134 6.818 1.00 0.81 H new ATOM 0 HD1 TYR B 59 3.982 -10.593 7.512 1.00 0.84 H new ATOM 0 HD2 TYR B 59 3.740 -12.872 3.922 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.626 -9.108 6.461 1.00 0.87 H new ATOM 0 HE2 TYR B 59 5.393 -11.391 2.872 1.00 0.80 H new ATOM 0 HH TYR B 59 6.272 -8.395 4.158 1.00 0.90 H new ATOM 2177 N ASN B 60 2.256 -15.566 8.506 1.00 0.89 N ATOM 2178 CA ASN B 60 1.246 -16.360 9.207 1.00 0.92 C ATOM 2179 C ASN B 60 -0.080 -16.339 8.446 1.00 0.86 C ATOM 2180 O ASN B 60 -1.160 -16.420 9.034 1.00 0.89 O ATOM 2181 CB ASN B 60 1.057 -15.870 10.653 1.00 1.00 C ATOM 2182 CG ASN B 60 0.309 -16.872 11.524 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.296 -18.075 11.245 1.00 2.05 O ATOM 2184 ND2 ASN B 60 -0.315 -16.385 12.584 1.00 1.91 N ATOM 0 H ASN B 60 3.043 -16.114 8.158 1.00 0.89 H new ATOM 0 HA ASN B 60 1.599 -17.390 9.250 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.033 -15.670 11.094 1.00 1.00 H new ATOM 0 HB3 ASN B 60 0.512 -14.926 10.643 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -0.830 -17.010 13.204 1.00 1.91 H new ATOM 0 HD22 ASN B 60 -0.281 -15.385 12.781 1.00 1.91 H new ATOM 2191 N ILE B 61 0.008 -16.229 7.125 1.00 0.80 N ATOM 2192 CA ILE B 61 -1.179 -16.224 6.288 1.00 0.74 C ATOM 2193 C ILE B 61 -1.619 -17.658 6.055 1.00 0.74 C ATOM 2194 O ILE B 61 -0.954 -18.421 5.352 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.935 -15.523 4.936 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.427 -14.097 5.168 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -2.214 -15.505 4.113 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.088 -13.423 3.915 1.00 0.65 C ATOM 0 H ILE B 61 0.887 -16.143 6.615 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.958 -15.663 6.804 1.00 0.74 H new ATOM 0 HB ILE B 61 -0.177 -16.078 4.383 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -1.235 -13.497 5.587 1.00 0.70 H new ATOM 0 HG13 ILE B 61 0.370 -14.121 5.911 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -2.027 -15.007 3.161 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.543 -16.528 3.929 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.990 -14.967 4.658 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.430 -12.417 4.158 1.00 0.65 H new ATOM 0 HD12 ILE B 61 0.917 -14.000 3.506 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.712 -13.366 3.177 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.729 -18.022 6.669 1.00 0.80 N ATOM 2211 CA GLN B 62 -3.247 -19.374 6.562 1.00 0.81 C ATOM 2212 C GLN B 62 -4.459 -19.441 5.639 1.00 0.75 C ATOM 2213 O GLN B 62 -4.726 -18.511 4.876 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.576 -19.913 7.956 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.358 -19.971 8.867 1.00 1.02 C ATOM 2216 CD GLN B 62 -2.648 -20.589 10.220 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -3.507 -21.460 10.350 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -1.925 -20.144 11.237 1.00 1.51 N ATOM 0 H GLN B 62 -3.291 -17.399 7.249 1.00 0.80 H new ATOM 0 HA GLN B 62 -2.478 -20.004 6.115 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -4.337 -19.282 8.414 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -4.003 -20.912 7.863 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -1.572 -20.544 8.375 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -1.973 -18.961 9.012 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -1.223 -19.420 11.085 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -2.071 -20.525 12.172 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.186 -20.543 5.717 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.358 -20.762 4.879 1.00 0.77 C ATOM 2229 C LYS B 63 -7.494 -19.794 5.212 1.00 0.77 C ATOM 2230 O LYS B 63 -7.695 -19.437 6.375 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.845 -22.205 5.045 1.00 0.81 C ATOM 2232 CG LYS B 63 -7.243 -22.553 6.471 1.00 0.91 C ATOM 2233 CD LYS B 63 -7.483 -24.044 6.642 1.00 1.12 C ATOM 2234 CE LYS B 63 -6.175 -24.805 6.799 1.00 1.66 C ATOM 2235 NZ LYS B 63 -5.482 -24.469 8.072 1.00 2.28 N ATOM 0 H LYS B 63 -4.984 -21.309 6.359 1.00 0.78 H new ATOM 0 HA LYS B 63 -6.064 -20.580 3.845 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.699 -22.369 4.388 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -6.058 -22.885 4.720 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -6.459 -22.230 7.156 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -8.147 -22.006 6.740 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -8.111 -24.214 7.516 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -8.027 -24.427 5.779 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -6.373 -25.876 6.766 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -5.520 -24.576 5.959 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -4.815 -25.229 8.315 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -4.962 -23.575 7.959 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -6.184 -24.367 8.833 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.203 -19.353 4.167 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.357 -18.457 4.297 1.00 0.79 C ATOM 2251 C GLU B 64 -8.973 -17.091 4.876 1.00 0.78 C ATOM 2252 O GLU B 64 -9.769 -16.460 5.576 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.446 -19.106 5.160 1.00 0.88 C ATOM 2254 CG GLU B 64 -10.774 -20.540 4.766 1.00 1.05 C ATOM 2255 CD GLU B 64 -11.340 -20.659 3.364 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -12.176 -19.816 2.980 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.967 -21.612 2.649 1.00 1.43 O ATOM 0 H GLU B 64 -7.991 -19.609 3.203 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.743 -18.289 3.292 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -10.127 -19.090 6.202 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -11.353 -18.505 5.095 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -9.871 -21.146 4.839 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.491 -20.950 5.477 1.00 1.05 H new ATOM 2264 N SER B 65 -7.771 -16.622 4.568 1.00 0.69 N ATOM 2265 CA SER B 65 -7.317 -15.330 5.068 1.00 0.70 C ATOM 2266 C SER B 65 -7.624 -14.217 4.068 1.00 0.66 C ATOM 2267 O SER B 65 -7.593 -14.432 2.853 1.00 0.63 O ATOM 2268 CB SER B 65 -5.817 -15.369 5.366 1.00 0.68 C ATOM 2269 OG SER B 65 -5.508 -16.409 6.279 1.00 0.74 O ATOM 0 H SER B 65 -7.097 -17.112 3.979 1.00 0.69 H new ATOM 0 HA SER B 65 -7.856 -15.119 5.992 1.00 0.70 H new ATOM 0 HB2 SER B 65 -5.262 -15.517 4.439 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.499 -14.411 5.779 1.00 0.68 H new ATOM 0 HG SER B 65 -4.918 -17.060 5.846 1.00 0.74 H new ATOM 2275 N THR B 66 -7.926 -13.033 4.585 1.00 0.70 N ATOM 2276 CA THR B 66 -8.236 -11.889 3.745 1.00 0.69 C ATOM 2277 C THR B 66 -7.030 -10.962 3.602 1.00 0.65 C ATOM 2278 O THR B 66 -6.583 -10.350 4.573 1.00 0.68 O ATOM 2279 CB THR B 66 -9.431 -11.089 4.308 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.645 -11.829 4.121 1.00 0.98 O ATOM 2281 CG2 THR B 66 -9.557 -9.730 3.632 1.00 0.88 C ATOM 0 H THR B 66 -7.962 -12.842 5.586 1.00 0.70 H new ATOM 0 HA THR B 66 -8.501 -12.279 2.762 1.00 0.69 H new ATOM 0 HB THR B 66 -9.255 -10.928 5.372 1.00 0.79 H new ATOM 0 HG1 THR B 66 -11.218 -11.723 4.909 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.408 -9.193 4.051 1.00 0.88 H new ATOM 0 HG22 THR B 66 -8.646 -9.155 3.799 1.00 0.88 H new ATOM 0 HG23 THR B 66 -9.707 -9.869 2.561 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.496 -10.890 2.394 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.365 -10.024 2.102 1.00 0.59 C ATOM 2291 C LEU B 67 -5.870 -8.732 1.479 1.00 0.58 C ATOM 2292 O LEU B 67 -7.012 -8.664 1.026 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.387 -10.711 1.142 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.955 -12.125 1.538 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -2.974 -12.684 0.518 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -3.341 -12.126 2.927 1.00 1.31 C ATOM 0 H LEU B 67 -6.831 -11.426 1.593 1.00 0.61 H new ATOM 0 HA LEU B 67 -4.839 -9.808 3.032 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.845 -10.754 0.154 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.496 -10.090 1.053 1.00 0.59 H new ATOM 0 HG LEU B 67 -4.837 -12.765 1.555 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -2.676 -13.690 0.813 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -3.449 -12.719 -0.462 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -2.093 -12.044 0.471 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -3.040 -13.140 3.191 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.468 -11.473 2.939 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -4.074 -11.765 3.649 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.037 -7.705 1.475 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.418 -6.429 0.888 1.00 0.60 C ATOM 2310 C HIS B 68 -4.559 -6.137 -0.335 1.00 0.56 C ATOM 2311 O HIS B 68 -3.341 -6.283 -0.286 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.286 -5.297 1.912 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.516 -5.094 2.748 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -6.751 -3.948 3.477 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -7.588 -5.895 2.959 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -7.907 -4.058 4.106 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.437 -5.227 3.806 1.00 2.10 N ATOM 0 H HIS B 68 -4.097 -7.728 1.869 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.462 -6.491 0.581 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.442 -5.509 2.568 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.057 -4.369 1.388 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -7.746 -6.877 2.539 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -8.344 -3.315 4.757 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -9.332 -5.578 4.147 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.193 -5.742 -1.428 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.478 -5.439 -2.657 1.00 0.51 C ATOM 2328 C LEU B 69 -4.658 -3.978 -3.046 1.00 0.52 C ATOM 2329 O LEU B 69 -5.738 -3.560 -3.460 1.00 0.70 O ATOM 2330 CB LEU B 69 -4.963 -6.337 -3.797 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.170 -6.218 -5.101 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -2.792 -6.840 -4.950 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -4.926 -6.872 -6.247 1.00 0.71 C ATOM 0 H LEU B 69 -6.204 -5.624 -1.489 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.419 -5.627 -2.480 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -4.928 -7.374 -3.462 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.008 -6.104 -4.003 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.045 -5.159 -5.329 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.245 -6.745 -5.888 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.246 -6.327 -4.158 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -2.895 -7.895 -4.696 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.347 -6.778 -7.166 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.083 -7.927 -6.024 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -5.891 -6.381 -6.374 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.601 -3.207 -2.891 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.628 -1.802 -3.245 1.00 0.44 C ATOM 2347 C VAL B 70 -3.097 -1.632 -4.662 1.00 0.43 C ATOM 2348 O VAL B 70 -2.067 -2.205 -5.021 1.00 0.49 O ATOM 2349 CB VAL B 70 -2.809 -0.959 -2.242 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -2.442 0.404 -2.816 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.590 -0.794 -0.951 1.00 0.77 C ATOM 0 H VAL B 70 -2.708 -3.532 -2.520 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.657 -1.444 -3.202 1.00 0.44 H new ATOM 0 HB VAL B 70 -1.878 -1.489 -2.039 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -1.867 0.966 -2.080 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -1.845 0.270 -3.718 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -3.352 0.952 -3.061 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.008 -0.199 -0.247 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.534 -0.290 -1.159 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.790 -1.774 -0.519 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.814 -0.871 -5.471 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.420 -0.652 -6.852 1.00 0.45 C ATOM 2363 C LEU B 71 -2.506 0.559 -6.978 1.00 0.52 C ATOM 2364 O LEU B 71 -2.782 1.629 -6.432 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.659 -0.464 -7.729 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.707 -1.580 -7.628 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.921 -1.250 -8.484 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -5.110 -2.919 -8.041 1.00 1.04 C ATOM 0 H LEU B 71 -4.672 -0.394 -5.195 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.870 -1.530 -7.189 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.132 0.482 -7.464 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.340 -0.380 -8.768 1.00 0.52 H new ATOM 0 HG LEU B 71 -6.027 -1.655 -6.589 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.654 -2.052 -8.400 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -7.365 -0.316 -8.141 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.615 -1.145 -9.525 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.870 -3.696 -7.962 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.759 -2.859 -9.071 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -4.273 -3.162 -7.386 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.407 0.382 -7.695 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.457 1.463 -7.915 1.00 0.85 C ATOM 2382 C ARG B 72 -0.942 2.347 -9.062 1.00 1.12 C ATOM 2383 O ARG B 72 -0.401 2.320 -10.167 1.00 1.44 O ATOM 2384 CB ARG B 72 0.941 0.900 -8.203 1.00 1.05 C ATOM 2385 CG ARG B 72 2.013 1.955 -8.464 1.00 1.32 C ATOM 2386 CD ARG B 72 2.231 2.872 -7.269 1.00 1.27 C ATOM 2387 NE ARG B 72 1.304 4.009 -7.260 1.00 1.61 N ATOM 2388 CZ ARG B 72 1.419 5.084 -8.047 1.00 2.00 C ATOM 2389 NH1 ARG B 72 2.395 5.158 -8.947 1.00 2.37 N ATOM 2390 NH2 ARG B 72 0.550 6.082 -7.932 1.00 2.67 N ATOM 0 H ARG B 72 -1.150 -0.501 -8.135 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.389 2.071 -7.013 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.252 0.287 -7.357 1.00 1.05 H new ATOM 0 HB3 ARG B 72 0.881 0.241 -9.069 1.00 1.05 H new ATOM 0 HG2 ARG B 72 2.952 1.461 -8.714 1.00 1.32 H new ATOM 0 HG3 ARG B 72 1.727 2.553 -9.329 1.00 1.32 H new ATOM 0 HD2 ARG B 72 2.109 2.300 -6.349 1.00 1.27 H new ATOM 0 HD3 ARG B 72 3.256 3.243 -7.281 1.00 1.27 H new ATOM 0 HE ARG B 72 0.519 3.977 -6.610 1.00 1.61 H new ATOM 0 HH11 ARG B 72 3.062 4.392 -9.040 1.00 2.37 H new ATOM 0 HH12 ARG B 72 2.477 5.981 -9.544 1.00 2.37 H new ATOM 0 HH21 ARG B 72 -0.202 6.027 -7.245 1.00 2.67 H new ATOM 0 HH22 ARG B 72 0.635 6.904 -8.531 1.00 2.67 H new