USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HD1:sc= -0.505 X(o=-1,f=-1.3) USER MOD Set 1.2: A 124 TYR OH : rot 155:sc= -0.513 USER MOD Set 2.1: A 106 CYS SG : rot 139:sc= 1.14 USER MOD Set 2.2: A 110 SER OG : rot 86:sc= 1.18 USER MOD Set 3.1: A 92 GLN : amide:sc= -0.281 K(o=-0.68,f=-3.5!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.397 X(o=-0.68,f=-0.67) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.07) USER MOD Single : A 58 CYS SG : rot 16:sc= 0.808 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.77! C(o=-3.8!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0278 (180deg=-0.308) USER MOD Single : A 74 CYS SG : rot 57:sc= -1.41 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0223) USER MOD Single : A 76 MET CE :methyl 166:sc= -3.81! (180deg=-4.26!) USER MOD Single : A 77 GLN : amide:sc= -0.976 K(o=-0.98,f=-2!) USER MOD Single : A 78 THR OG1 : rot -17:sc= 1.21 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.02) USER MOD Single : A 96 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-9.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -36:sc= 0.0619 USER MOD Single : A 107 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.41) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -11:sc= -3.82! USER MOD Single : A 128 ASN : amide:sc= 0.738 K(o=0.74,f=-0.65) USER MOD Single : A 131 CYS SG : rot 116:sc= 0.476 USER MOD Single : A 132 THR OG1 : rot 71:sc= 1.32 USER MOD Single : A 135 LYS NZ :NH3+ -162:sc= -0.103 (180deg=-0.464) USER MOD Single : A 137 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.26) USER MOD Single : A 138 SER OG : rot -16:sc= 1.34 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00682) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.0109 F(o=-0.69,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -22.580 3.009 3.936 1.00 11.48 N ATOM 2 CA GLY A 51 -21.863 1.822 4.455 1.00 11.08 C ATOM 3 C GLY A 51 -22.370 1.412 5.820 1.00 10.43 C ATOM 4 O GLY A 51 -21.924 1.935 6.842 1.00 10.45 O ATOM 0 HA2 GLY A 51 -21.982 0.992 3.759 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -20.796 2.038 4.513 1.00 11.08 H new ATOM 10 N SER A 52 -23.316 0.489 5.841 1.00 10.08 N ATOM 11 CA SER A 52 -23.876 0.005 7.087 1.00 9.69 C ATOM 12 C SER A 52 -23.958 -1.518 7.086 1.00 9.02 C ATOM 13 O SER A 52 -24.890 -2.102 7.640 1.00 8.98 O ATOM 14 CB SER A 52 -25.258 0.625 7.317 1.00 10.27 C ATOM 15 OG SER A 52 -26.091 0.461 6.178 1.00 10.53 O ATOM 0 H SER A 52 -23.712 0.060 5.005 1.00 10.08 H new ATOM 0 HA SER A 52 -23.220 0.304 7.905 1.00 9.69 H new ATOM 0 HB2 SER A 52 -25.728 0.161 8.184 1.00 10.27 H new ATOM 0 HB3 SER A 52 -25.150 1.686 7.542 1.00 10.27 H new ATOM 0 HG SER A 52 -26.967 0.864 6.353 1.00 10.53 H new ATOM 21 N HIS A 53 -22.981 -2.158 6.455 1.00 8.73 N ATOM 22 CA HIS A 53 -22.916 -3.615 6.423 1.00 8.32 C ATOM 23 C HIS A 53 -21.576 -4.096 6.968 1.00 7.73 C ATOM 24 O HIS A 53 -20.605 -3.338 7.010 1.00 7.87 O ATOM 25 CB HIS A 53 -23.145 -4.153 5.001 1.00 8.73 C ATOM 26 CG HIS A 53 -22.137 -3.695 3.988 1.00 9.23 C ATOM 27 ND1 HIS A 53 -21.021 -4.440 3.696 1.00 9.69 N ATOM 28 CD2 HIS A 53 -22.133 -2.577 3.226 1.00 9.62 C ATOM 29 CE1 HIS A 53 -20.368 -3.762 2.767 1.00 10.29 C ATOM 30 NE2 HIS A 53 -21.004 -2.626 2.449 1.00 10.28 N ATOM 0 H HIS A 53 -22.222 -1.691 5.958 1.00 8.73 H new ATOM 0 HA HIS A 53 -23.713 -4.003 7.057 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -23.138 -5.242 5.034 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -24.138 -3.851 4.668 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -22.877 -1.795 3.229 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -19.439 -4.084 2.321 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -20.706 -1.933 1.763 1.00 10.28 H new ATOM 38 N MET A 54 -21.530 -5.347 7.399 1.00 7.35 N ATOM 39 CA MET A 54 -20.313 -5.915 7.954 1.00 7.08 C ATOM 40 C MET A 54 -20.062 -7.309 7.394 1.00 6.25 C ATOM 41 O MET A 54 -20.941 -7.904 6.764 1.00 6.50 O ATOM 42 CB MET A 54 -20.380 -5.948 9.491 1.00 7.61 C ATOM 43 CG MET A 54 -21.648 -6.575 10.061 1.00 8.34 C ATOM 44 SD MET A 54 -21.729 -8.367 9.851 1.00 8.78 S ATOM 45 CE MET A 54 -23.339 -8.699 10.562 1.00 9.55 C ATOM 0 H MET A 54 -22.323 -5.988 7.375 1.00 7.35 H new ATOM 0 HA MET A 54 -19.477 -5.278 7.663 1.00 7.08 H new ATOM 0 HB2 MET A 54 -19.518 -6.499 9.867 1.00 7.61 H new ATOM 0 HB3 MET A 54 -20.295 -4.928 9.867 1.00 7.61 H new ATOM 0 HG2 MET A 54 -21.714 -6.339 11.123 1.00 8.34 H new ATOM 0 HG3 MET A 54 -22.515 -6.122 9.580 1.00 8.34 H new ATOM 0 HE1 MET A 54 -23.546 -9.768 10.511 1.00 9.55 H new ATOM 0 HE2 MET A 54 -23.351 -8.376 11.603 1.00 9.55 H new ATOM 0 HE3 MET A 54 -24.102 -8.155 10.005 1.00 9.55 H new ATOM 55 N GLY A 55 -18.862 -7.822 7.634 1.00 5.61 N ATOM 56 CA GLY A 55 -18.485 -9.122 7.117 1.00 5.11 C ATOM 57 C GLY A 55 -18.384 -9.127 5.606 1.00 4.35 C ATOM 58 O GLY A 55 -17.914 -8.151 5.015 1.00 4.69 O ATOM 0 H GLY A 55 -18.139 -7.356 8.182 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -17.527 -9.418 7.545 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -19.218 -9.864 7.433 1.00 5.11 H new ATOM 62 N LYS A 56 -18.818 -10.237 5.000 1.00 3.64 N ATOM 63 CA LYS A 56 -18.850 -10.405 3.537 1.00 3.11 C ATOM 64 C LYS A 56 -17.447 -10.576 2.952 1.00 2.55 C ATOM 65 O LYS A 56 -17.176 -11.541 2.234 1.00 2.86 O ATOM 66 CB LYS A 56 -19.535 -9.204 2.880 1.00 3.33 C ATOM 67 CG LYS A 56 -19.558 -9.259 1.361 1.00 3.32 C ATOM 68 CD LYS A 56 -19.870 -7.895 0.757 1.00 4.10 C ATOM 69 CE LYS A 56 -21.094 -7.250 1.395 1.00 4.54 C ATOM 70 NZ LYS A 56 -22.335 -8.030 1.158 1.00 5.01 N ATOM 0 H LYS A 56 -19.160 -11.051 5.511 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.417 -11.312 3.328 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -20.559 -9.138 3.246 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -19.025 -8.293 3.193 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -18.593 -9.608 0.994 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -20.305 -9.982 1.033 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -19.009 -7.239 0.882 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -20.036 -8.003 -0.315 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -20.931 -7.150 2.468 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -21.220 -6.243 0.997 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -23.139 -7.550 1.612 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -22.508 -8.104 0.135 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -22.228 -8.983 1.561 1.00 5.01 H new ATOM 84 N LYS A 57 -16.573 -9.650 3.319 1.00 2.28 N ATOM 85 CA LYS A 57 -15.223 -9.528 2.787 1.00 1.87 C ATOM 86 C LYS A 57 -14.687 -8.167 3.163 1.00 1.72 C ATOM 87 O LYS A 57 -14.616 -7.259 2.341 1.00 2.48 O ATOM 88 CB LYS A 57 -15.157 -9.700 1.270 1.00 1.84 C ATOM 89 CG LYS A 57 -14.364 -10.926 0.845 1.00 2.16 C ATOM 90 CD LYS A 57 -12.874 -10.748 1.098 1.00 2.61 C ATOM 91 CE LYS A 57 -12.103 -12.029 0.824 1.00 3.28 C ATOM 92 NZ LYS A 57 -10.630 -11.820 0.871 1.00 3.67 N ATOM 0 H LYS A 57 -16.791 -8.940 4.018 1.00 2.28 H new ATOM 0 HA LYS A 57 -14.622 -10.329 3.217 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -16.170 -9.774 0.874 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.706 -8.811 0.828 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -14.724 -11.799 1.390 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -14.533 -11.119 -0.214 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -12.490 -9.949 0.464 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -12.714 -10.440 2.131 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -12.385 -12.784 1.558 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -12.382 -12.416 -0.156 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -10.147 -12.739 0.814 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -10.338 -11.225 0.070 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -10.374 -11.350 1.763 1.00 3.67 H new ATOM 106 N CYS A 58 -14.332 -8.022 4.416 1.00 1.35 N ATOM 107 CA CYS A 58 -13.823 -6.758 4.903 1.00 1.14 C ATOM 108 C CYS A 58 -12.344 -6.656 4.582 1.00 0.88 C ATOM 109 O CYS A 58 -11.485 -6.945 5.421 1.00 1.38 O ATOM 110 CB CYS A 58 -14.046 -6.623 6.400 1.00 1.36 C ATOM 111 SG CYS A 58 -15.768 -6.823 6.912 1.00 1.88 S ATOM 0 H CYS A 58 -14.385 -8.760 5.118 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.361 -5.948 4.410 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -13.437 -7.365 6.915 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -13.694 -5.643 6.722 1.00 1.36 H new ATOM 0 HG CYS A 58 -16.446 -7.371 5.948 1.00 1.88 H new ATOM 117 N TYR A 59 -12.055 -6.288 3.342 1.00 0.42 N ATOM 118 CA TYR A 59 -10.693 -6.162 2.865 1.00 0.31 C ATOM 119 C TYR A 59 -9.873 -5.188 3.700 1.00 0.30 C ATOM 120 O TYR A 59 -8.665 -5.155 3.560 1.00 0.33 O ATOM 121 CB TYR A 59 -10.673 -5.708 1.403 1.00 0.67 C ATOM 122 CG TYR A 59 -11.799 -6.269 0.558 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.689 -7.483 -0.109 1.00 1.26 C ATOM 124 CD2 TYR A 59 -12.980 -5.584 0.451 1.00 1.22 C ATOM 125 CE1 TYR A 59 -12.732 -7.984 -0.858 1.00 1.58 C ATOM 126 CE2 TYR A 59 -14.036 -6.072 -0.289 1.00 1.56 C ATOM 127 CZ TYR A 59 -13.818 -7.319 -1.033 1.00 1.66 C ATOM 128 OH TYR A 59 -14.953 -7.772 -1.687 1.00 2.04 O ATOM 0 H TYR A 59 -12.762 -6.069 2.640 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.241 -7.150 2.955 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -10.720 -4.619 1.373 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -9.721 -5.999 0.958 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -10.769 -8.045 -0.039 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -13.087 -4.637 0.959 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -12.634 -8.960 -1.309 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -14.985 -5.558 -0.320 1.00 1.56 H new ATOM 0 HH TYR A 59 -15.637 -7.070 -1.680 1.00 2.04 H new ATOM 138 N LYS A 60 -10.507 -4.391 4.561 1.00 0.29 N ATOM 139 CA LYS A 60 -9.751 -3.463 5.383 1.00 0.29 C ATOM 140 C LYS A 60 -8.722 -4.209 6.211 1.00 0.25 C ATOM 141 O LYS A 60 -7.556 -3.871 6.181 1.00 0.26 O ATOM 142 CB LYS A 60 -10.664 -2.577 6.248 1.00 0.37 C ATOM 143 CG LYS A 60 -11.320 -3.244 7.438 1.00 0.57 C ATOM 144 CD LYS A 60 -10.408 -3.275 8.644 1.00 0.43 C ATOM 145 CE LYS A 60 -10.373 -1.934 9.341 1.00 0.76 C ATOM 146 NZ LYS A 60 -11.540 -1.730 10.239 1.00 1.62 N ATOM 0 H LYS A 60 -11.517 -4.372 4.702 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.217 -2.783 4.719 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -10.077 -1.733 6.610 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.448 -2.169 5.610 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -12.238 -2.713 7.691 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.604 -4.262 7.172 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.749 -4.041 9.341 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.401 -3.552 8.334 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -9.454 -1.853 9.921 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.350 -1.140 8.594 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -11.470 -0.797 10.693 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -12.418 -1.780 9.684 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -11.550 -2.470 10.969 1.00 1.62 H new ATOM 160 N LEU A 61 -9.143 -5.249 6.908 1.00 0.25 N ATOM 161 CA LEU A 61 -8.229 -6.017 7.724 1.00 0.25 C ATOM 162 C LEU A 61 -7.177 -6.697 6.884 1.00 0.26 C ATOM 163 O LEU A 61 -6.052 -6.916 7.335 1.00 0.30 O ATOM 164 CB LEU A 61 -8.974 -7.043 8.551 1.00 0.30 C ATOM 165 CG LEU A 61 -8.995 -6.724 10.039 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.351 -7.957 10.852 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.650 -6.142 10.462 1.00 0.63 C ATOM 0 H LEU A 61 -10.108 -5.578 6.924 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.730 -5.319 8.396 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.999 -7.115 8.188 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.514 -8.020 8.403 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.766 -5.978 10.232 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.360 -7.704 11.912 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.337 -8.315 10.557 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.612 -8.738 10.671 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.671 -5.915 11.528 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.861 -6.866 10.260 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.456 -5.228 9.901 1.00 0.63 H new ATOM 179 N GLU A 62 -7.544 -7.037 5.670 1.00 0.25 N ATOM 180 CA GLU A 62 -6.634 -7.616 4.740 1.00 0.29 C ATOM 181 C GLU A 62 -5.605 -6.573 4.323 1.00 0.23 C ATOM 182 O GLU A 62 -4.407 -6.750 4.527 1.00 0.20 O ATOM 183 CB GLU A 62 -7.445 -8.101 3.545 1.00 0.39 C ATOM 184 CG GLU A 62 -7.011 -9.450 3.055 1.00 0.63 C ATOM 185 CD GLU A 62 -8.064 -10.139 2.207 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.048 -10.657 2.778 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.909 -10.187 0.973 1.00 2.20 O ATOM 0 H GLU A 62 -8.490 -6.914 5.309 1.00 0.25 H new ATOM 0 HA GLU A 62 -6.096 -8.455 5.180 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.499 -8.142 3.820 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.355 -7.379 2.734 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -6.096 -9.342 2.472 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.771 -10.081 3.910 1.00 0.63 H new ATOM 194 N ASN A 63 -6.102 -5.456 3.818 1.00 0.22 N ATOM 195 CA ASN A 63 -5.266 -4.400 3.277 1.00 0.19 C ATOM 196 C ASN A 63 -4.460 -3.693 4.353 1.00 0.15 C ATOM 197 O ASN A 63 -3.266 -3.473 4.177 1.00 0.16 O ATOM 198 CB ASN A 63 -6.127 -3.378 2.549 1.00 0.21 C ATOM 199 CG ASN A 63 -6.948 -3.996 1.442 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.605 -5.043 0.928 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.036 -3.344 1.071 1.00 0.27 N ATOM 0 H ASN A 63 -7.101 -5.256 3.772 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.566 -4.869 2.586 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.793 -2.894 3.264 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.487 -2.600 2.132 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.625 -3.717 0.326 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.287 -2.468 1.530 1.00 0.27 H new ATOM 208 N GLU A 64 -5.111 -3.315 5.451 1.00 0.15 N ATOM 209 CA GLU A 64 -4.427 -2.640 6.539 1.00 0.16 C ATOM 210 C GLU A 64 -3.212 -3.452 6.950 1.00 0.14 C ATOM 211 O GLU A 64 -2.093 -2.954 6.956 1.00 0.17 O ATOM 212 CB GLU A 64 -5.361 -2.440 7.739 1.00 0.21 C ATOM 213 CG GLU A 64 -6.536 -1.510 7.468 1.00 0.30 C ATOM 214 CD GLU A 64 -7.165 -0.966 8.734 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.157 -1.671 9.763 1.00 1.75 O ATOM 216 OE2 GLU A 64 -7.668 0.178 8.705 1.00 1.77 O ATOM 0 H GLU A 64 -6.108 -3.466 5.606 1.00 0.15 H new ATOM 0 HA GLU A 64 -4.110 -1.655 6.195 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.745 -3.411 8.052 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.783 -2.043 8.573 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.199 -0.678 6.850 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -7.292 -2.047 6.895 1.00 0.30 H new ATOM 223 N LYS A 65 -3.454 -4.718 7.250 1.00 0.13 N ATOM 224 CA LYS A 65 -2.410 -5.645 7.620 1.00 0.14 C ATOM 225 C LYS A 65 -1.352 -5.762 6.538 1.00 0.12 C ATOM 226 O LYS A 65 -0.169 -5.598 6.806 1.00 0.14 O ATOM 227 CB LYS A 65 -3.036 -7.003 7.847 1.00 0.20 C ATOM 228 CG LYS A 65 -2.399 -7.771 8.971 1.00 0.44 C ATOM 229 CD LYS A 65 -1.366 -8.773 8.480 1.00 0.86 C ATOM 230 CE LYS A 65 -2.001 -9.900 7.679 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.985 -10.671 8.484 1.00 1.93 N ATOM 0 H LYS A 65 -4.388 -5.129 7.242 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.925 -5.277 8.524 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.097 -6.875 8.059 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.963 -7.587 6.930 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.924 -7.073 9.660 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.172 -8.296 9.532 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.628 -8.260 7.863 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.832 -9.191 9.333 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.496 -9.486 6.801 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.222 -10.572 7.318 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -3.203 -11.566 8.002 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.584 -10.872 9.422 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.857 -10.115 8.592 1.00 1.93 H new ATOM 245 N LEU A 66 -1.790 -6.064 5.319 1.00 0.11 N ATOM 246 CA LEU A 66 -0.877 -6.214 4.186 1.00 0.10 C ATOM 247 C LEU A 66 0.005 -4.983 4.046 1.00 0.08 C ATOM 248 O LEU A 66 1.203 -5.091 3.787 1.00 0.08 O ATOM 249 CB LEU A 66 -1.646 -6.436 2.884 1.00 0.10 C ATOM 250 CG LEU A 66 -2.374 -7.769 2.763 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.236 -7.782 1.512 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.380 -8.912 2.732 1.00 0.17 C ATOM 0 H LEU A 66 -2.773 -6.210 5.089 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.254 -7.087 4.379 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.376 -5.634 2.774 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.947 -6.348 2.052 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.019 -7.896 3.633 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.752 -8.739 1.435 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.970 -6.978 1.567 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.606 -7.638 0.634 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.915 -9.858 2.645 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.714 -8.792 1.877 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.794 -8.910 3.651 1.00 0.17 H new ATOM 264 N PHE A 67 -0.598 -3.814 4.228 1.00 0.07 N ATOM 265 CA PHE A 67 0.135 -2.567 4.209 1.00 0.06 C ATOM 266 C PHE A 67 1.228 -2.571 5.268 1.00 0.06 C ATOM 267 O PHE A 67 2.370 -2.253 4.974 1.00 0.07 O ATOM 268 CB PHE A 67 -0.800 -1.382 4.443 1.00 0.08 C ATOM 269 CG PHE A 67 -0.064 -0.082 4.462 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.729 0.261 3.392 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.147 0.777 5.542 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.438 1.449 3.388 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.551 1.965 5.547 1.00 0.12 C ATOM 274 CZ PHE A 67 1.345 2.300 4.466 1.00 0.09 C ATOM 0 H PHE A 67 -1.600 -3.710 4.391 1.00 0.07 H new ATOM 0 HA PHE A 67 0.592 -2.466 3.225 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.558 -1.358 3.660 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.324 -1.515 5.389 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.799 -0.405 2.545 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.764 0.515 6.389 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.061 1.707 2.544 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.478 2.632 6.393 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.893 3.231 4.467 1.00 0.09 H new ATOM 284 N GLU A 68 0.864 -2.931 6.491 1.00 0.08 N ATOM 285 CA GLU A 68 1.819 -2.990 7.595 1.00 0.09 C ATOM 286 C GLU A 68 2.892 -4.027 7.312 1.00 0.10 C ATOM 287 O GLU A 68 4.060 -3.816 7.615 1.00 0.12 O ATOM 288 CB GLU A 68 1.106 -3.348 8.900 1.00 0.14 C ATOM 289 CG GLU A 68 -0.188 -2.595 9.101 1.00 0.21 C ATOM 290 CD GLU A 68 -0.817 -2.842 10.452 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.324 -3.954 10.684 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.809 -1.915 11.292 1.00 1.19 O ATOM 0 H GLU A 68 -0.089 -3.188 6.747 1.00 0.08 H new ATOM 0 HA GLU A 68 2.282 -2.008 7.694 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.901 -4.418 8.912 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.772 -3.142 9.738 1.00 0.14 H new ATOM 0 HG2 GLU A 68 -0.001 -1.527 8.984 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.893 -2.883 8.321 1.00 0.21 H new ATOM 299 N GLU A 69 2.482 -5.133 6.712 1.00 0.10 N ATOM 300 CA GLU A 69 3.394 -6.211 6.360 1.00 0.12 C ATOM 301 C GLU A 69 4.421 -5.723 5.357 1.00 0.11 C ATOM 302 O GLU A 69 5.590 -6.098 5.405 1.00 0.14 O ATOM 303 CB GLU A 69 2.608 -7.375 5.772 1.00 0.15 C ATOM 304 CG GLU A 69 1.679 -8.036 6.766 1.00 0.25 C ATOM 305 CD GLU A 69 2.398 -9.014 7.669 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.981 -8.583 8.683 1.00 1.21 O ATOM 307 OE2 GLU A 69 2.396 -10.226 7.357 1.00 1.34 O ATOM 0 H GLU A 69 1.511 -5.309 6.456 1.00 0.10 H new ATOM 0 HA GLU A 69 3.913 -6.544 7.259 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.025 -7.018 4.923 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.307 -8.119 5.389 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.199 -7.270 7.375 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.888 -8.558 6.228 1.00 0.25 H new ATOM 314 N PHE A 70 3.963 -4.868 4.463 1.00 0.09 N ATOM 315 CA PHE A 70 4.800 -4.298 3.452 1.00 0.09 C ATOM 316 C PHE A 70 5.609 -3.155 4.058 1.00 0.08 C ATOM 317 O PHE A 70 6.786 -2.975 3.758 1.00 0.10 O ATOM 318 CB PHE A 70 3.928 -3.808 2.305 1.00 0.09 C ATOM 319 CG PHE A 70 4.688 -3.211 1.172 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.038 -1.886 1.215 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.040 -3.966 0.066 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.732 -1.307 0.179 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.738 -3.396 -0.978 1.00 0.13 C ATOM 324 CZ PHE A 70 6.085 -2.060 -0.922 1.00 0.13 C ATOM 0 H PHE A 70 2.993 -4.554 4.426 1.00 0.09 H new ATOM 0 HA PHE A 70 5.495 -5.043 3.064 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.336 -4.643 1.931 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.226 -3.067 2.688 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.765 -1.290 2.073 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.766 -5.010 0.021 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.001 -0.262 0.227 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.012 -3.992 -1.836 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.630 -1.607 -1.737 1.00 0.13 H new ATOM 334 N LEU A 71 4.944 -2.375 4.907 1.00 0.07 N ATOM 335 CA LEU A 71 5.562 -1.271 5.608 1.00 0.08 C ATOM 336 C LEU A 71 6.731 -1.725 6.465 1.00 0.08 C ATOM 337 O LEU A 71 7.839 -1.216 6.330 1.00 0.09 O ATOM 338 CB LEU A 71 4.536 -0.542 6.470 1.00 0.09 C ATOM 339 CG LEU A 71 4.067 0.784 5.888 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.655 1.751 6.970 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.154 1.389 5.050 1.00 0.10 C ATOM 0 H LEU A 71 3.955 -2.499 5.124 1.00 0.07 H new ATOM 0 HA LEU A 71 5.949 -0.587 4.853 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.671 -1.190 6.613 1.00 0.09 H new ATOM 0 HB3 LEU A 71 4.967 -0.362 7.455 1.00 0.09 H new ATOM 0 HG LEU A 71 3.194 0.585 5.266 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.326 2.686 6.516 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.838 1.322 7.550 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.503 1.945 7.627 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.810 2.337 4.637 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.036 1.560 5.667 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.407 0.710 4.236 1.00 0.10 H new ATOM 353 N GLU A 72 6.472 -2.669 7.358 1.00 0.08 N ATOM 354 CA GLU A 72 7.526 -3.240 8.192 1.00 0.11 C ATOM 355 C GLU A 72 8.601 -3.846 7.329 1.00 0.09 C ATOM 356 O GLU A 72 9.787 -3.723 7.618 1.00 0.12 O ATOM 357 CB GLU A 72 6.984 -4.286 9.143 1.00 0.19 C ATOM 358 CG GLU A 72 5.898 -3.721 10.001 1.00 0.26 C ATOM 359 CD GLU A 72 5.443 -4.666 11.088 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.120 -4.765 12.131 1.00 0.89 O ATOM 361 OE2 GLU A 72 4.406 -5.336 10.887 1.00 1.13 O ATOM 0 H GLU A 72 5.544 -3.057 7.526 1.00 0.08 H new ATOM 0 HA GLU A 72 7.948 -2.430 8.787 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.600 -5.134 8.576 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.790 -4.663 9.772 1.00 0.19 H new ATOM 0 HG2 GLU A 72 6.249 -2.796 10.457 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.045 -3.463 9.373 1.00 0.26 H new ATOM 368 N LEU A 73 8.167 -4.508 6.271 1.00 0.10 N ATOM 369 CA LEU A 73 9.084 -4.983 5.242 1.00 0.11 C ATOM 370 C LEU A 73 9.983 -3.850 4.783 1.00 0.10 C ATOM 371 O LEU A 73 11.197 -3.997 4.755 1.00 0.12 O ATOM 372 CB LEU A 73 8.315 -5.538 4.041 1.00 0.14 C ATOM 373 CG LEU A 73 9.184 -6.018 2.878 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.768 -7.385 3.166 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.396 -6.037 1.585 1.00 0.46 C ATOM 0 H LEU A 73 7.186 -4.730 6.099 1.00 0.10 H new ATOM 0 HA LEU A 73 9.690 -5.781 5.671 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.696 -6.369 4.379 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.639 -4.766 3.674 1.00 0.14 H new ATOM 0 HG LEU A 73 10.008 -5.313 2.764 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.382 -7.703 2.323 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.383 -7.336 4.065 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.960 -8.101 3.318 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.037 -6.382 0.773 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.545 -6.711 1.687 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.038 -5.032 1.362 1.00 0.46 H new ATOM 387 N CYS A 74 9.393 -2.708 4.461 1.00 0.09 N ATOM 388 CA CYS A 74 10.182 -1.568 4.024 1.00 0.10 C ATOM 389 C CYS A 74 11.085 -1.089 5.155 1.00 0.11 C ATOM 390 O CYS A 74 12.226 -0.740 4.921 1.00 0.14 O ATOM 391 CB CYS A 74 9.304 -0.426 3.519 1.00 0.10 C ATOM 392 SG CYS A 74 8.209 -0.902 2.173 1.00 0.11 S ATOM 0 H CYS A 74 8.386 -2.548 4.493 1.00 0.09 H new ATOM 0 HA CYS A 74 10.800 -1.895 3.188 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.705 -0.046 4.347 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.942 0.392 3.185 1.00 0.10 H new ATOM 0 HG CYS A 74 7.459 -1.893 2.554 1.00 0.11 H new ATOM 398 N LYS A 75 10.604 -1.132 6.393 1.00 0.11 N ATOM 399 CA LYS A 75 11.432 -0.764 7.536 1.00 0.12 C ATOM 400 C LYS A 75 12.663 -1.666 7.602 1.00 0.13 C ATOM 401 O LYS A 75 13.675 -1.323 8.210 1.00 0.16 O ATOM 402 CB LYS A 75 10.627 -0.889 8.829 1.00 0.13 C ATOM 403 CG LYS A 75 9.374 -0.045 8.853 1.00 0.18 C ATOM 404 CD LYS A 75 8.534 -0.361 10.072 1.00 0.20 C ATOM 405 CE LYS A 75 7.222 0.400 10.051 1.00 0.30 C ATOM 406 NZ LYS A 75 6.405 0.145 11.268 1.00 0.32 N ATOM 0 H LYS A 75 9.653 -1.415 6.630 1.00 0.11 H new ATOM 0 HA LYS A 75 11.755 0.270 7.418 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.353 -1.934 8.975 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.261 -0.605 9.669 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.642 1.011 8.855 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.792 -0.225 7.949 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.335 -1.432 10.111 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.090 -0.107 10.975 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.425 1.468 9.969 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.652 0.114 9.167 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.449 0.530 11.131 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.345 -0.879 11.438 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 6.849 0.606 12.087 1.00 0.32 H new ATOM 420 N MET A 76 12.553 -2.821 6.950 1.00 0.12 N ATOM 421 CA MET A 76 13.621 -3.801 6.909 1.00 0.13 C ATOM 422 C MET A 76 14.551 -3.583 5.708 1.00 0.14 C ATOM 423 O MET A 76 15.769 -3.697 5.841 1.00 0.16 O ATOM 424 CB MET A 76 13.020 -5.212 6.872 1.00 0.14 C ATOM 425 CG MET A 76 12.209 -5.552 8.112 1.00 0.15 C ATOM 426 SD MET A 76 11.815 -7.308 8.247 1.00 0.21 S ATOM 427 CE MET A 76 10.721 -7.527 6.848 1.00 0.40 C ATOM 0 H MET A 76 11.717 -3.099 6.436 1.00 0.12 H new ATOM 0 HA MET A 76 14.225 -3.683 7.809 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.383 -5.305 5.993 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.824 -5.939 6.761 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.764 -5.242 8.997 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.282 -4.978 8.100 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.592 -8.591 6.650 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.752 -7.080 7.070 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.151 -7.044 5.971 1.00 0.40 H new ATOM 437 N GLN A 77 13.995 -3.259 4.539 1.00 0.14 N ATOM 438 CA GLN A 77 14.805 -3.125 3.334 1.00 0.15 C ATOM 439 C GLN A 77 15.063 -1.665 2.942 1.00 0.16 C ATOM 440 O GLN A 77 15.867 -1.397 2.052 1.00 0.22 O ATOM 441 CB GLN A 77 14.167 -3.868 2.157 1.00 0.19 C ATOM 442 CG GLN A 77 12.779 -4.431 2.417 1.00 0.21 C ATOM 443 CD GLN A 77 12.725 -5.930 2.251 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.475 -6.438 1.162 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.937 -6.646 3.339 1.00 0.25 N ATOM 0 H GLN A 77 12.999 -3.087 4.405 1.00 0.14 H new ATOM 0 HA GLN A 77 15.769 -3.575 3.571 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.111 -3.188 1.307 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.825 -4.687 1.867 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.467 -4.169 3.428 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.068 -3.967 1.734 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.142 -6.181 4.224 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.896 -7.664 3.295 1.00 0.25 H new ATOM 454 N THR A 78 14.405 -0.719 3.600 1.00 0.17 N ATOM 455 CA THR A 78 14.630 0.695 3.310 1.00 0.22 C ATOM 456 C THR A 78 15.163 1.406 4.546 1.00 0.30 C ATOM 457 O THR A 78 14.758 2.521 4.845 1.00 0.32 O ATOM 458 CB THR A 78 13.360 1.459 2.822 1.00 0.17 C ATOM 459 OG1 THR A 78 12.363 1.511 3.845 1.00 0.14 O ATOM 460 CG2 THR A 78 12.755 0.826 1.584 1.00 0.22 C ATOM 0 H THR A 78 13.717 -0.900 4.331 1.00 0.17 H new ATOM 0 HA THR A 78 15.353 0.708 2.494 1.00 0.22 H new ATOM 0 HB THR A 78 13.688 2.469 2.576 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.559 0.836 4.528 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.874 1.391 1.280 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.487 0.834 0.777 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.469 -0.202 1.804 1.00 0.22 H new ATOM 468 N ALA A 79 16.066 0.767 5.275 1.00 0.38 N ATOM 469 CA ALA A 79 16.662 1.393 6.453 1.00 0.50 C ATOM 470 C ALA A 79 17.374 2.688 6.078 1.00 0.52 C ATOM 471 O ALA A 79 17.398 3.646 6.850 1.00 0.55 O ATOM 472 CB ALA A 79 17.627 0.432 7.122 1.00 0.67 C ATOM 0 H ALA A 79 16.402 -0.176 5.077 1.00 0.38 H new ATOM 0 HA ALA A 79 15.864 1.637 7.155 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.066 0.908 7.999 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.092 -0.467 7.427 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.418 0.164 6.421 1.00 0.67 H new ATOM 478 N ASP A 80 17.933 2.712 4.875 1.00 0.53 N ATOM 479 CA ASP A 80 18.609 3.894 4.355 1.00 0.57 C ATOM 480 C ASP A 80 17.591 4.937 3.922 1.00 0.52 C ATOM 481 O ASP A 80 17.912 6.105 3.721 1.00 0.57 O ATOM 482 CB ASP A 80 19.491 3.507 3.168 1.00 0.65 C ATOM 483 CG ASP A 80 20.295 4.673 2.629 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.220 5.138 3.326 1.00 1.94 O ATOM 485 OD2 ASP A 80 20.007 5.125 1.505 1.00 1.46 O ATOM 0 H ASP A 80 17.931 1.918 4.235 1.00 0.53 H new ATOM 0 HA ASP A 80 19.232 4.317 5.143 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.172 2.711 3.471 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.865 3.104 2.372 1.00 0.65 H new ATOM 490 N HIS A 81 16.353 4.502 3.790 1.00 0.43 N ATOM 491 CA HIS A 81 15.270 5.376 3.350 1.00 0.38 C ATOM 492 C HIS A 81 14.082 5.286 4.290 1.00 0.29 C ATOM 493 O HIS A 81 12.985 4.897 3.889 1.00 0.23 O ATOM 494 CB HIS A 81 14.858 5.007 1.924 1.00 0.41 C ATOM 495 CG HIS A 81 15.938 5.281 0.920 1.00 0.61 C ATOM 496 ND1 HIS A 81 16.147 6.515 0.349 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.881 4.464 0.393 1.00 0.70 C ATOM 498 CE1 HIS A 81 17.166 6.445 -0.485 1.00 1.08 C ATOM 499 NE2 HIS A 81 17.632 5.212 -0.479 1.00 0.86 N ATOM 0 H HIS A 81 16.066 3.542 3.981 1.00 0.43 H new ATOM 0 HA HIS A 81 15.625 6.406 3.363 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.594 3.950 1.888 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.964 5.568 1.652 1.00 0.41 H new ATOM 0 HD2 HIS A 81 17.017 3.416 0.618 1.00 0.70 H new ATOM 0 HE1 HIS A 81 17.554 7.262 -1.075 1.00 1.08 H new ATOM 0 HE2 HIS A 81 18.419 4.871 -1.030 1.00 0.86 H new ATOM 508 N PRO A 82 14.279 5.675 5.554 1.00 0.32 N ATOM 509 CA PRO A 82 13.254 5.556 6.582 1.00 0.29 C ATOM 510 C PRO A 82 12.089 6.515 6.375 1.00 0.26 C ATOM 511 O PRO A 82 11.098 6.445 7.090 1.00 0.29 O ATOM 512 CB PRO A 82 14.000 5.895 7.868 1.00 0.38 C ATOM 513 CG PRO A 82 15.140 6.743 7.443 1.00 0.44 C ATOM 514 CD PRO A 82 15.524 6.260 6.085 1.00 0.41 C ATOM 0 HA PRO A 82 12.800 4.565 6.580 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.355 6.424 8.570 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.347 4.993 8.372 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.856 7.795 7.418 1.00 0.44 H new ATOM 0 HG3 PRO A 82 15.974 6.654 8.139 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.882 7.076 5.457 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.324 5.521 6.135 1.00 0.41 H new ATOM 522 N GLU A 83 12.211 7.413 5.401 1.00 0.23 N ATOM 523 CA GLU A 83 11.134 8.340 5.077 1.00 0.21 C ATOM 524 C GLU A 83 10.094 7.672 4.185 1.00 0.17 C ATOM 525 O GLU A 83 8.963 8.143 4.063 1.00 0.18 O ATOM 526 CB GLU A 83 11.675 9.570 4.370 1.00 0.28 C ATOM 527 CG GLU A 83 12.376 9.225 3.093 1.00 0.46 C ATOM 528 CD GLU A 83 12.849 10.441 2.323 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.031 11.053 1.607 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.041 10.801 2.450 1.00 0.95 O ATOM 0 H GLU A 83 13.045 7.517 4.823 1.00 0.23 H new ATOM 0 HA GLU A 83 10.666 8.639 6.015 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.855 10.256 4.158 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.365 10.093 5.032 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.233 8.589 3.317 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.703 8.643 2.463 1.00 0.46 H new ATOM 537 N VAL A 84 10.499 6.580 3.561 1.00 0.15 N ATOM 538 CA VAL A 84 9.665 5.853 2.628 1.00 0.14 C ATOM 539 C VAL A 84 8.449 5.251 3.320 1.00 0.11 C ATOM 540 O VAL A 84 7.353 5.248 2.771 1.00 0.11 O ATOM 541 CB VAL A 84 10.519 4.786 1.911 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.773 3.510 1.661 1.00 0.16 C ATOM 543 CG2 VAL A 84 11.063 5.343 0.614 1.00 0.21 C ATOM 0 H VAL A 84 11.425 6.172 3.691 1.00 0.15 H new ATOM 0 HA VAL A 84 9.274 6.542 1.880 1.00 0.14 H new ATOM 0 HB VAL A 84 11.344 4.537 2.579 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.426 2.800 1.154 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.445 3.088 2.611 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.904 3.713 1.035 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.664 4.583 0.115 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.235 5.633 -0.033 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.682 6.215 0.824 1.00 0.21 H new ATOM 553 N VAL A 85 8.649 4.765 4.527 1.00 0.09 N ATOM 554 CA VAL A 85 7.563 4.243 5.322 1.00 0.09 C ATOM 555 C VAL A 85 6.527 5.320 5.652 1.00 0.10 C ATOM 556 O VAL A 85 5.352 5.127 5.399 1.00 0.10 O ATOM 557 CB VAL A 85 8.105 3.580 6.588 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.988 3.287 7.562 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.870 2.326 6.203 1.00 0.11 C ATOM 0 H VAL A 85 9.562 4.722 4.980 1.00 0.09 H new ATOM 0 HA VAL A 85 7.048 3.486 4.731 1.00 0.09 H new ATOM 0 HB VAL A 85 8.790 4.260 7.095 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.398 2.815 8.455 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.493 4.218 7.838 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.266 2.616 7.097 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.260 1.847 7.101 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.202 1.637 5.685 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.698 2.592 5.545 1.00 0.11 H new ATOM 569 N PRO A 86 6.940 6.451 6.240 1.00 0.12 N ATOM 570 CA PRO A 86 6.075 7.617 6.414 1.00 0.14 C ATOM 571 C PRO A 86 5.353 8.008 5.118 1.00 0.14 C ATOM 572 O PRO A 86 4.153 8.237 5.121 1.00 0.18 O ATOM 573 CB PRO A 86 7.021 8.737 6.837 1.00 0.18 C ATOM 574 CG PRO A 86 8.306 8.086 7.225 1.00 0.18 C ATOM 575 CD PRO A 86 8.247 6.633 6.852 1.00 0.14 C ATOM 0 HA PRO A 86 5.289 7.414 7.142 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.175 9.443 6.021 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.605 9.301 7.672 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.142 8.571 6.721 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.475 8.194 8.296 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.047 6.371 6.159 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.364 5.996 7.729 1.00 0.14 H new ATOM 583 N PHE A 87 6.102 8.081 4.017 1.00 0.13 N ATOM 584 CA PHE A 87 5.550 8.384 2.697 1.00 0.14 C ATOM 585 C PHE A 87 4.518 7.334 2.300 1.00 0.12 C ATOM 586 O PHE A 87 3.495 7.642 1.686 1.00 0.12 O ATOM 587 CB PHE A 87 6.701 8.406 1.682 1.00 0.18 C ATOM 588 CG PHE A 87 6.381 9.020 0.348 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.104 9.433 0.046 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.379 9.191 -0.598 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.814 10.009 -1.174 1.00 0.43 C ATOM 592 CE2 PHE A 87 7.100 9.763 -1.823 1.00 1.01 C ATOM 593 CZ PHE A 87 5.814 10.174 -2.113 1.00 0.69 C ATOM 0 H PHE A 87 7.111 7.931 4.016 1.00 0.13 H new ATOM 0 HA PHE A 87 5.054 9.354 2.718 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.538 8.950 2.121 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.037 7.382 1.519 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.317 9.305 0.774 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.387 8.873 -0.374 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.807 10.330 -1.395 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.886 9.889 -2.553 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.591 10.623 -3.070 1.00 0.69 H new ATOM 603 N LEU A 88 4.769 6.110 2.717 1.00 0.10 N ATOM 604 CA LEU A 88 3.882 5.009 2.421 1.00 0.09 C ATOM 605 C LEU A 88 2.660 5.137 3.291 1.00 0.08 C ATOM 606 O LEU A 88 1.517 5.071 2.831 1.00 0.09 O ATOM 607 CB LEU A 88 4.579 3.699 2.742 1.00 0.09 C ATOM 608 CG LEU A 88 5.013 2.886 1.543 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.807 1.686 1.994 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.806 2.437 0.758 1.00 0.10 C ATOM 0 H LEU A 88 5.589 5.854 3.267 1.00 0.10 H new ATOM 0 HA LEU A 88 3.605 5.026 1.367 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.457 3.914 3.352 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.910 3.090 3.350 1.00 0.09 H new ATOM 0 HG LEU A 88 5.640 3.508 0.904 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.116 1.106 1.124 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.690 2.018 2.540 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.190 1.065 2.644 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.129 1.852 -0.103 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.166 1.824 1.393 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.249 3.309 0.416 1.00 0.10 H new ATOM 622 N TYR A 89 2.944 5.340 4.565 1.00 0.08 N ATOM 623 CA TYR A 89 1.952 5.468 5.589 1.00 0.09 C ATOM 624 C TYR A 89 0.996 6.587 5.248 1.00 0.09 C ATOM 625 O TYR A 89 -0.207 6.419 5.261 1.00 0.11 O ATOM 626 CB TYR A 89 2.650 5.812 6.903 1.00 0.10 C ATOM 627 CG TYR A 89 2.355 4.861 8.012 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.070 4.433 8.214 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.350 4.405 8.854 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.758 3.570 9.226 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.062 3.535 9.876 1.00 0.20 C ATOM 632 CZ TYR A 89 1.760 3.114 10.066 1.00 0.22 C ATOM 633 OH TYR A 89 1.463 2.244 11.093 1.00 0.27 O ATOM 0 H TYR A 89 3.899 5.421 4.913 1.00 0.08 H new ATOM 0 HA TYR A 89 1.400 4.532 5.675 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.727 5.836 6.735 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.353 6.815 7.209 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.287 4.785 7.559 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.367 4.737 8.707 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.262 3.246 9.370 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.848 3.182 10.527 1.00 0.20 H new ATOM 0 HH TYR A 89 2.283 2.025 11.583 1.00 0.27 H new ATOM 643 N ASN A 90 1.585 7.718 4.922 1.00 0.09 N ATOM 644 CA ASN A 90 0.885 8.930 4.559 1.00 0.09 C ATOM 645 C ASN A 90 -0.071 8.692 3.416 1.00 0.09 C ATOM 646 O ASN A 90 -1.254 8.998 3.515 1.00 0.10 O ATOM 647 CB ASN A 90 1.935 9.934 4.147 1.00 0.11 C ATOM 648 CG ASN A 90 1.377 11.128 3.443 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.403 11.745 3.874 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.970 11.409 2.312 1.00 0.40 N ATOM 0 H ASN A 90 2.600 7.821 4.902 1.00 0.09 H new ATOM 0 HA ASN A 90 0.294 9.288 5.402 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.477 10.265 5.033 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.659 9.444 3.496 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.628 12.177 1.734 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.774 10.860 2.008 1.00 0.40 H new ATOM 657 N ARG A 91 0.457 8.143 2.336 1.00 0.08 N ATOM 658 CA ARG A 91 -0.340 7.798 1.177 1.00 0.10 C ATOM 659 C ARG A 91 -1.546 6.964 1.585 1.00 0.09 C ATOM 660 O ARG A 91 -2.663 7.212 1.141 1.00 0.11 O ATOM 661 CB ARG A 91 0.514 7.006 0.185 1.00 0.13 C ATOM 662 CG ARG A 91 1.435 7.848 -0.671 1.00 0.16 C ATOM 663 CD ARG A 91 0.644 8.809 -1.532 1.00 0.29 C ATOM 664 NE ARG A 91 1.476 9.453 -2.546 1.00 0.88 N ATOM 665 CZ ARG A 91 1.816 10.738 -2.544 1.00 1.05 C ATOM 666 NH1 ARG A 91 1.465 11.528 -1.541 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.536 11.226 -3.541 1.00 1.64 N ATOM 0 H ARG A 91 1.449 7.925 2.240 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.692 8.718 0.710 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.114 6.284 0.739 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.147 6.436 -0.468 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.122 8.405 -0.034 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.042 7.201 -1.304 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.170 8.272 -2.019 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.189 9.571 -0.899 1.00 0.29 H new ATOM 0 HE ARG A 91 1.821 8.874 -3.312 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.928 11.152 -0.759 1.00 1.35 H new ATOM 0 HH12 ARG A 91 1.731 12.513 -1.550 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.827 10.617 -4.306 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.800 12.211 -3.545 1.00 1.64 H new ATOM 681 N GLN A 92 -1.303 5.991 2.442 1.00 0.09 N ATOM 682 CA GLN A 92 -2.336 5.069 2.882 1.00 0.12 C ATOM 683 C GLN A 92 -3.283 5.737 3.877 1.00 0.11 C ATOM 684 O GLN A 92 -4.498 5.585 3.794 1.00 0.13 O ATOM 685 CB GLN A 92 -1.670 3.848 3.503 1.00 0.18 C ATOM 686 CG GLN A 92 -2.548 2.620 3.515 1.00 0.35 C ATOM 687 CD GLN A 92 -3.173 2.346 4.864 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.414 3.251 5.659 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.427 1.081 5.129 1.00 0.36 N ATOM 0 H GLN A 92 -0.386 5.816 2.853 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.935 4.762 2.024 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.755 3.625 2.954 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.378 4.085 4.526 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.338 2.739 2.774 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.956 1.756 3.214 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.210 0.362 4.439 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.840 0.821 6.024 1.00 0.36 H new ATOM 698 N GLN A 93 -2.709 6.489 4.800 1.00 0.12 N ATOM 699 CA GLN A 93 -3.468 7.210 5.813 1.00 0.14 C ATOM 700 C GLN A 93 -4.409 8.217 5.169 1.00 0.16 C ATOM 701 O GLN A 93 -5.522 8.449 5.647 1.00 0.20 O ATOM 702 CB GLN A 93 -2.511 7.934 6.770 1.00 0.15 C ATOM 703 CG GLN A 93 -1.804 7.018 7.755 1.00 0.15 C ATOM 704 CD GLN A 93 -2.755 6.155 8.552 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.249 6.557 9.604 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.993 4.950 8.069 1.00 0.22 N ATOM 0 H GLN A 93 -1.700 6.619 4.870 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.063 6.488 6.373 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.762 8.466 6.183 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.071 8.685 7.327 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.110 6.377 7.211 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.210 7.622 8.441 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.562 4.658 7.192 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.608 4.311 8.573 1.00 0.22 H new ATOM 715 N ARG A 94 -3.950 8.822 4.086 1.00 0.14 N ATOM 716 CA ARG A 94 -4.720 9.830 3.384 1.00 0.15 C ATOM 717 C ARG A 94 -5.577 9.211 2.276 1.00 0.14 C ATOM 718 O ARG A 94 -6.335 9.906 1.592 1.00 0.19 O ATOM 719 CB ARG A 94 -3.768 10.854 2.806 1.00 0.21 C ATOM 720 CG ARG A 94 -3.112 10.410 1.535 1.00 0.76 C ATOM 721 CD ARG A 94 -1.919 11.272 1.253 1.00 0.64 C ATOM 722 NE ARG A 94 -1.651 11.325 -0.183 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.364 12.447 -0.847 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.078 13.564 -0.189 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.338 12.439 -2.175 1.00 1.40 N ATOM 0 H ARG A 94 -3.038 8.628 3.672 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.401 10.309 4.088 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.312 11.780 2.620 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -2.998 11.079 3.544 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.807 9.367 1.617 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.820 10.471 0.709 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -2.093 12.279 1.633 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.048 10.879 1.777 1.00 0.64 H new ATOM 0 HE ARG A 94 -1.685 10.452 -0.709 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.077 13.569 0.831 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.860 14.417 -0.703 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -1.537 11.578 -2.684 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.119 13.294 -2.686 1.00 1.40 H new ATOM 739 N ALA A 95 -5.451 7.902 2.102 1.00 0.12 N ATOM 740 CA ALA A 95 -6.205 7.187 1.079 1.00 0.12 C ATOM 741 C ALA A 95 -7.657 7.031 1.494 1.00 0.13 C ATOM 742 O ALA A 95 -8.039 7.375 2.615 1.00 0.17 O ATOM 743 CB ALA A 95 -5.598 5.818 0.806 1.00 0.13 C ATOM 0 H ALA A 95 -4.832 7.312 2.658 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.158 7.776 0.163 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.181 5.308 0.039 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.571 5.938 0.461 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.607 5.227 1.722 1.00 0.13 H new ATOM 749 N HIS A 96 -8.473 6.532 0.580 1.00 0.12 N ATOM 750 CA HIS A 96 -9.872 6.280 0.871 1.00 0.13 C ATOM 751 C HIS A 96 -10.008 5.039 1.723 1.00 0.13 C ATOM 752 O HIS A 96 -9.608 3.962 1.309 1.00 0.12 O ATOM 753 CB HIS A 96 -10.649 6.089 -0.426 1.00 0.14 C ATOM 754 CG HIS A 96 -12.083 6.476 -0.302 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.872 5.944 0.676 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.799 7.379 -1.012 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.041 6.535 0.551 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.051 7.415 -0.457 1.00 0.25 N ATOM 0 H HIS A 96 -8.189 6.294 -0.370 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.276 7.136 1.412 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.184 6.682 -1.214 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.584 5.045 -0.733 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.451 7.959 -1.854 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.891 6.334 1.186 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.835 7.997 -0.753 1.00 0.25 H new ATOM 766 N SER A 97 -10.564 5.199 2.919 1.00 0.16 N ATOM 767 CA SER A 97 -10.787 4.076 3.819 1.00 0.20 C ATOM 768 C SER A 97 -11.624 2.978 3.160 1.00 0.18 C ATOM 769 O SER A 97 -11.463 1.803 3.480 1.00 0.18 O ATOM 770 CB SER A 97 -11.458 4.552 5.112 1.00 0.29 C ATOM 771 OG SER A 97 -10.633 5.477 5.804 1.00 1.32 O ATOM 0 H SER A 97 -10.869 6.100 3.288 1.00 0.16 H new ATOM 0 HA SER A 97 -9.813 3.650 4.059 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.416 5.017 4.879 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.668 3.696 5.753 1.00 0.29 H new ATOM 0 HG SER A 97 -11.084 5.767 6.624 1.00 1.32 H new ATOM 777 N LEU A 98 -12.524 3.358 2.254 1.00 0.18 N ATOM 778 CA LEU A 98 -13.261 2.389 1.447 1.00 0.18 C ATOM 779 C LEU A 98 -12.331 1.626 0.527 1.00 0.15 C ATOM 780 O LEU A 98 -12.463 0.425 0.350 1.00 0.18 O ATOM 781 CB LEU A 98 -14.294 3.093 0.587 1.00 0.21 C ATOM 782 CG LEU A 98 -15.594 3.460 1.283 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.565 4.031 0.272 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.194 2.248 1.982 1.00 0.61 C ATOM 0 H LEU A 98 -12.760 4.331 2.061 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.746 1.698 2.136 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.847 4.004 0.188 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.527 2.453 -0.264 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.389 4.213 2.044 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.497 4.294 0.771 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.133 4.922 -0.184 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.764 3.288 -0.501 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.124 2.535 2.473 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.397 1.468 1.248 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.492 1.872 2.726 1.00 0.61 H new ATOM 796 N PHE A 99 -11.398 2.351 -0.048 1.00 0.12 N ATOM 797 CA PHE A 99 -10.403 1.770 -0.936 1.00 0.11 C ATOM 798 C PHE A 99 -9.444 0.904 -0.129 1.00 0.11 C ATOM 799 O PHE A 99 -9.062 -0.190 -0.548 1.00 0.12 O ATOM 800 CB PHE A 99 -9.644 2.873 -1.679 1.00 0.12 C ATOM 801 CG PHE A 99 -8.394 2.399 -2.354 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.466 1.490 -3.386 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.153 2.861 -1.952 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.322 1.041 -4.016 1.00 0.18 C ATOM 805 CE2 PHE A 99 -6.003 2.419 -2.576 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.087 1.507 -3.609 1.00 0.18 C ATOM 0 H PHE A 99 -11.303 3.358 0.083 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.902 1.146 -1.677 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.304 3.315 -2.426 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.387 3.663 -0.973 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.430 1.123 -3.707 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.083 3.573 -1.143 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.393 0.328 -4.824 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.039 2.786 -2.256 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.189 1.159 -4.098 1.00 0.18 H new ATOM 816 N LEU A 100 -9.079 1.399 1.045 1.00 0.12 N ATOM 817 CA LEU A 100 -8.242 0.660 1.973 1.00 0.14 C ATOM 818 C LEU A 100 -8.977 -0.562 2.482 1.00 0.16 C ATOM 819 O LEU A 100 -8.376 -1.472 3.040 1.00 0.21 O ATOM 820 CB LEU A 100 -7.853 1.545 3.149 1.00 0.17 C ATOM 821 CG LEU A 100 -7.192 2.856 2.773 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.225 3.800 3.955 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.774 2.604 2.318 1.00 0.22 C ATOM 0 H LEU A 100 -9.355 2.323 1.379 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.341 0.343 1.448 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.747 1.761 3.733 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.176 0.987 3.796 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.736 3.318 1.949 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.749 4.742 3.682 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.260 3.986 4.243 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.690 3.353 4.793 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.305 3.550 2.049 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.211 2.136 3.125 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.782 1.944 1.451 1.00 0.22 H new ATOM 835 N ALA A 101 -10.286 -0.570 2.316 1.00 0.16 N ATOM 836 CA ALA A 101 -11.082 -1.740 2.636 1.00 0.19 C ATOM 837 C ALA A 101 -11.720 -2.315 1.385 1.00 0.21 C ATOM 838 O ALA A 101 -12.747 -2.983 1.462 1.00 0.37 O ATOM 839 CB ALA A 101 -12.157 -1.407 3.658 1.00 0.23 C ATOM 0 H ALA A 101 -10.822 0.222 1.961 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.414 -2.486 3.066 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.738 -2.302 3.879 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.689 -1.043 4.573 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.815 -0.637 3.256 1.00 0.23 H new ATOM 845 N SER A 102 -11.135 -2.023 0.231 1.00 0.13 N ATOM 846 CA SER A 102 -11.620 -2.587 -1.016 1.00 0.15 C ATOM 847 C SER A 102 -10.616 -3.587 -1.589 1.00 0.17 C ATOM 848 O SER A 102 -9.403 -3.471 -1.381 1.00 0.25 O ATOM 849 CB SER A 102 -11.914 -1.473 -2.028 1.00 0.18 C ATOM 850 OG SER A 102 -10.725 -0.877 -2.521 1.00 1.40 O ATOM 0 H SER A 102 -10.330 -1.404 0.135 1.00 0.13 H new ATOM 0 HA SER A 102 -12.548 -3.122 -0.812 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.487 -1.881 -2.860 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.534 -0.710 -1.558 1.00 0.18 H new ATOM 0 HG SER A 102 -10.061 -0.828 -1.802 1.00 1.40 H new ATOM 856 N ALA A 103 -11.157 -4.587 -2.280 1.00 0.20 N ATOM 857 CA ALA A 103 -10.385 -5.638 -2.935 1.00 0.21 C ATOM 858 C ALA A 103 -9.236 -5.100 -3.778 1.00 0.18 C ATOM 859 O ALA A 103 -8.200 -5.748 -3.890 1.00 0.19 O ATOM 860 CB ALA A 103 -11.304 -6.446 -3.818 1.00 0.27 C ATOM 0 H ALA A 103 -12.164 -4.691 -2.402 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.947 -6.252 -2.148 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.735 -7.234 -4.311 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.091 -6.893 -3.211 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.751 -5.796 -4.570 1.00 0.27 H new ATOM 866 N GLU A 104 -9.442 -3.942 -4.399 1.00 0.17 N ATOM 867 CA GLU A 104 -8.422 -3.310 -5.225 1.00 0.17 C ATOM 868 C GLU A 104 -7.096 -3.193 -4.484 1.00 0.14 C ATOM 869 O GLU A 104 -6.056 -3.616 -4.981 1.00 0.14 O ATOM 870 CB GLU A 104 -8.873 -1.919 -5.616 1.00 0.22 C ATOM 871 CG GLU A 104 -7.932 -1.210 -6.561 1.00 0.30 C ATOM 872 CD GLU A 104 -8.384 -1.281 -8.002 1.00 0.97 C ATOM 873 OE1 GLU A 104 -8.325 -2.373 -8.605 1.00 1.70 O ATOM 874 OE2 GLU A 104 -8.796 -0.235 -8.543 1.00 1.29 O ATOM 0 H GLU A 104 -10.316 -3.419 -4.344 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.280 -3.934 -6.108 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.857 -1.985 -6.081 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.986 -1.318 -4.714 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -7.845 -0.165 -6.264 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.938 -1.650 -6.475 1.00 0.30 H new ATOM 881 N PHE A 105 -7.140 -2.614 -3.288 1.00 0.13 N ATOM 882 CA PHE A 105 -5.933 -2.405 -2.507 1.00 0.13 C ATOM 883 C PHE A 105 -5.339 -3.750 -2.115 1.00 0.12 C ATOM 884 O PHE A 105 -4.128 -3.910 -2.091 1.00 0.13 O ATOM 885 CB PHE A 105 -6.232 -1.552 -1.267 1.00 0.13 C ATOM 886 CG PHE A 105 -4.996 -1.042 -0.585 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.855 -0.793 -1.320 1.00 0.12 C ATOM 888 CD2 PHE A 105 -4.975 -0.806 0.781 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.710 -0.319 -0.712 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.832 -0.331 1.396 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.699 -0.086 0.646 1.00 0.14 C ATOM 0 H PHE A 105 -7.996 -2.284 -2.843 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.205 -1.864 -3.112 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.853 -0.705 -1.558 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.812 -2.144 -0.559 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.858 -0.971 -2.385 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.860 -0.995 1.370 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.824 -0.131 -1.300 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.825 -0.152 2.461 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.805 0.288 1.123 1.00 0.14 H new ATOM 901 N CYS A 106 -6.207 -4.719 -1.857 1.00 0.13 N ATOM 902 CA CYS A 106 -5.778 -6.080 -1.553 1.00 0.15 C ATOM 903 C CYS A 106 -5.019 -6.655 -2.735 1.00 0.15 C ATOM 904 O CYS A 106 -3.943 -7.234 -2.585 1.00 0.16 O ATOM 905 CB CYS A 106 -6.997 -6.951 -1.217 1.00 0.19 C ATOM 906 SG CYS A 106 -6.670 -8.729 -1.203 1.00 0.29 S ATOM 0 H CYS A 106 -7.218 -4.588 -1.852 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.116 -6.065 -0.687 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.379 -6.657 -0.239 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.785 -6.745 -1.942 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.289 -9.276 -0.199 1.00 0.29 H new ATOM 912 N ASN A 107 -5.604 -6.474 -3.904 1.00 0.14 N ATOM 913 CA ASN A 107 -4.996 -6.852 -5.176 1.00 0.16 C ATOM 914 C ASN A 107 -3.599 -6.275 -5.291 1.00 0.15 C ATOM 915 O ASN A 107 -2.613 -6.995 -5.441 1.00 0.17 O ATOM 916 CB ASN A 107 -5.846 -6.285 -6.310 1.00 0.18 C ATOM 917 CG ASN A 107 -6.120 -7.282 -7.413 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.317 -8.173 -7.679 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.266 -7.140 -8.058 1.00 0.34 N ATOM 0 H ASN A 107 -6.528 -6.055 -4.003 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.940 -7.939 -5.233 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.795 -5.935 -5.903 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.341 -5.416 -6.733 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.512 -7.785 -8.809 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.904 -6.386 -7.804 1.00 0.34 H new ATOM 926 N ILE A 108 -3.545 -4.963 -5.171 1.00 0.13 N ATOM 927 CA ILE A 108 -2.327 -4.191 -5.326 1.00 0.13 C ATOM 928 C ILE A 108 -1.297 -4.581 -4.274 1.00 0.11 C ATOM 929 O ILE A 108 -0.115 -4.748 -4.569 1.00 0.12 O ATOM 930 CB ILE A 108 -2.693 -2.700 -5.189 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.529 -2.262 -6.392 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.464 -1.824 -5.032 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.366 -1.028 -6.137 1.00 0.17 C ATOM 0 H ILE A 108 -4.363 -4.392 -4.959 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.885 -4.388 -6.303 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.282 -2.578 -4.280 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.864 -2.071 -7.234 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.186 -3.081 -6.684 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.769 -0.782 -4.939 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.916 -2.123 -4.138 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.822 -1.937 -5.906 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.931 -0.779 -7.036 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.057 -1.220 -5.316 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.715 -0.194 -5.875 1.00 0.17 H new ATOM 945 N LEU A 109 -1.777 -4.735 -3.059 1.00 0.09 N ATOM 946 CA LEU A 109 -0.955 -5.087 -1.919 1.00 0.08 C ATOM 947 C LEU A 109 -0.350 -6.467 -2.045 1.00 0.09 C ATOM 948 O LEU A 109 0.866 -6.634 -1.963 1.00 0.10 O ATOM 949 CB LEU A 109 -1.804 -5.011 -0.674 1.00 0.08 C ATOM 950 CG LEU A 109 -1.765 -3.652 -0.001 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.761 -3.589 1.121 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.373 -3.366 0.511 1.00 0.07 C ATOM 0 H LEU A 109 -2.764 -4.618 -2.831 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.125 -4.383 -1.868 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.836 -5.251 -0.931 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.467 -5.769 0.034 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.031 -2.892 -0.736 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.718 -2.607 1.591 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.763 -3.759 0.728 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.526 -4.355 1.860 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.356 -2.388 0.992 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.087 -4.131 1.233 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.330 -3.372 -0.322 1.00 0.07 H new ATOM 964 N SER A 110 -1.200 -7.448 -2.235 1.00 0.10 N ATOM 965 CA SER A 110 -0.759 -8.818 -2.367 1.00 0.12 C ATOM 966 C SER A 110 0.231 -8.937 -3.520 1.00 0.12 C ATOM 967 O SER A 110 1.177 -9.723 -3.463 1.00 0.14 O ATOM 968 CB SER A 110 -1.956 -9.719 -2.586 1.00 0.15 C ATOM 969 OG SER A 110 -2.922 -9.539 -1.564 1.00 1.15 O ATOM 0 H SER A 110 -2.210 -7.322 -2.302 1.00 0.10 H new ATOM 0 HA SER A 110 -0.255 -9.129 -1.452 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.404 -9.505 -3.556 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.633 -10.760 -2.607 1.00 0.15 H new ATOM 0 HG SER A 110 -3.516 -8.797 -1.802 1.00 1.15 H new ATOM 975 N ARG A 111 0.004 -8.138 -4.559 1.00 0.11 N ATOM 976 CA ARG A 111 0.932 -8.029 -5.667 1.00 0.12 C ATOM 977 C ARG A 111 2.292 -7.556 -5.191 1.00 0.11 C ATOM 978 O ARG A 111 3.296 -8.246 -5.353 1.00 0.13 O ATOM 979 CB ARG A 111 0.403 -7.032 -6.691 1.00 0.16 C ATOM 980 CG ARG A 111 -0.633 -7.600 -7.626 1.00 0.26 C ATOM 981 CD ARG A 111 -1.074 -6.568 -8.647 1.00 0.99 C ATOM 982 NE ARG A 111 -2.020 -7.111 -9.619 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.713 -6.365 -10.480 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.583 -5.044 -10.482 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.537 -6.939 -11.343 1.00 3.55 N ATOM 0 H ARG A 111 -0.826 -7.553 -4.651 1.00 0.11 H new ATOM 0 HA ARG A 111 1.032 -9.016 -6.117 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.027 -6.180 -6.164 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.239 -6.654 -7.279 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.226 -8.472 -8.138 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.496 -7.941 -7.054 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.532 -5.724 -8.131 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.199 -6.184 -9.172 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.159 -8.121 -9.640 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.950 -4.593 -9.822 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.116 -4.480 -11.144 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.643 -7.954 -11.350 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.066 -6.367 -12.001 1.00 3.55 H new ATOM 999 N VAL A 112 2.314 -6.388 -4.573 1.00 0.10 N ATOM 1000 CA VAL A 112 3.571 -5.741 -4.233 1.00 0.10 C ATOM 1001 C VAL A 112 4.322 -6.478 -3.149 1.00 0.11 C ATOM 1002 O VAL A 112 5.517 -6.642 -3.257 1.00 0.12 O ATOM 1003 CB VAL A 112 3.414 -4.266 -3.810 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.205 -3.388 -5.016 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.282 -4.076 -2.829 1.00 0.10 C ATOM 0 H VAL A 112 1.480 -5.869 -4.297 1.00 0.10 H new ATOM 0 HA VAL A 112 4.144 -5.770 -5.160 1.00 0.10 H new ATOM 0 HB VAL A 112 4.338 -3.975 -3.311 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.096 -2.351 -4.697 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.063 -3.475 -5.682 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.304 -3.702 -5.543 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.208 -3.023 -2.559 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.347 -4.400 -3.285 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.473 -4.668 -1.934 1.00 0.10 H new ATOM 1015 N LEU A 113 3.630 -6.917 -2.111 1.00 0.10 N ATOM 1016 CA LEU A 113 4.277 -7.647 -1.030 1.00 0.11 C ATOM 1017 C LEU A 113 4.998 -8.873 -1.549 1.00 0.12 C ATOM 1018 O LEU A 113 6.180 -9.091 -1.278 1.00 0.14 O ATOM 1019 CB LEU A 113 3.256 -8.066 0.012 1.00 0.11 C ATOM 1020 CG LEU A 113 3.137 -7.089 1.159 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.995 -6.126 0.909 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.977 -7.812 2.480 1.00 0.28 C ATOM 0 H LEU A 113 2.626 -6.783 -1.993 1.00 0.10 H new ATOM 0 HA LEU A 113 5.009 -6.980 -0.575 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.283 -8.174 -0.466 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.529 -9.045 0.405 1.00 0.11 H new ATOM 0 HG LEU A 113 4.060 -6.512 1.220 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.919 -5.427 1.742 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.180 -5.574 -0.012 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.063 -6.683 0.817 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.894 -7.083 3.286 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.077 -8.426 2.452 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.845 -8.448 2.654 1.00 0.28 H new ATOM 1034 N SER A 114 4.258 -9.660 -2.289 1.00 0.13 N ATOM 1035 CA SER A 114 4.773 -10.875 -2.908 1.00 0.15 C ATOM 1036 C SER A 114 5.968 -10.554 -3.801 1.00 0.15 C ATOM 1037 O SER A 114 7.015 -11.199 -3.718 1.00 0.17 O ATOM 1038 CB SER A 114 3.670 -11.560 -3.719 1.00 0.17 C ATOM 1039 OG SER A 114 4.086 -12.827 -4.199 1.00 1.00 O ATOM 0 H SER A 114 3.273 -9.482 -2.486 1.00 0.13 H new ATOM 0 HA SER A 114 5.104 -11.554 -2.122 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.782 -11.679 -3.098 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.389 -10.926 -4.560 1.00 0.17 H new ATOM 0 HG SER A 114 3.358 -13.238 -4.711 1.00 1.00 H new ATOM 1045 N ARG A 115 5.817 -9.527 -4.628 1.00 0.13 N ATOM 1046 CA ARG A 115 6.884 -9.097 -5.513 1.00 0.14 C ATOM 1047 C ARG A 115 8.051 -8.538 -4.708 1.00 0.14 C ATOM 1048 O ARG A 115 9.204 -8.716 -5.066 1.00 0.18 O ATOM 1049 CB ARG A 115 6.363 -8.026 -6.464 1.00 0.17 C ATOM 1050 CG ARG A 115 5.372 -8.528 -7.495 1.00 0.24 C ATOM 1051 CD ARG A 115 4.785 -7.370 -8.278 1.00 0.35 C ATOM 1052 NE ARG A 115 3.940 -7.808 -9.387 1.00 0.84 N ATOM 1053 CZ ARG A 115 2.949 -7.076 -9.896 1.00 1.19 C ATOM 1054 NH1 ARG A 115 2.647 -5.900 -9.365 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.247 -7.522 -10.928 1.00 1.83 N ATOM 0 H ARG A 115 4.961 -8.977 -4.702 1.00 0.13 H new ATOM 0 HA ARG A 115 7.230 -9.958 -6.085 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.891 -7.237 -5.879 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.210 -7.575 -6.982 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.867 -9.221 -8.176 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.574 -9.082 -7.001 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.199 -6.743 -7.606 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.595 -6.752 -8.666 1.00 0.35 H new ATOM 0 HE ARG A 115 4.119 -8.726 -9.795 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.174 -5.552 -8.564 1.00 1.20 H new ATOM 0 HH12 ARG A 115 1.888 -5.343 -9.757 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.464 -8.431 -11.338 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.490 -6.957 -11.312 1.00 1.83 H new ATOM 1069 N ALA A 116 7.720 -7.841 -3.630 1.00 0.13 N ATOM 1070 CA ALA A 116 8.715 -7.188 -2.774 1.00 0.14 C ATOM 1071 C ALA A 116 9.594 -8.200 -2.058 1.00 0.16 C ATOM 1072 O ALA A 116 10.797 -8.000 -1.916 1.00 0.18 O ATOM 1073 CB ALA A 116 8.027 -6.263 -1.782 1.00 0.15 C ATOM 0 H ALA A 116 6.757 -7.709 -3.320 1.00 0.13 H new ATOM 0 HA ALA A 116 9.369 -6.593 -3.412 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.776 -5.784 -1.152 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.467 -5.501 -2.323 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.344 -6.841 -1.159 1.00 0.15 H new ATOM 1079 N ARG A 117 8.997 -9.287 -1.601 1.00 0.19 N ATOM 1080 CA ARG A 117 9.759 -10.360 -0.987 1.00 0.24 C ATOM 1081 C ARG A 117 10.647 -11.069 -2.005 1.00 0.26 C ATOM 1082 O ARG A 117 11.686 -11.637 -1.659 1.00 0.32 O ATOM 1083 CB ARG A 117 8.827 -11.356 -0.315 1.00 0.28 C ATOM 1084 CG ARG A 117 8.646 -11.069 1.154 1.00 0.61 C ATOM 1085 CD ARG A 117 7.286 -10.474 1.490 1.00 0.34 C ATOM 1086 NE ARG A 117 7.129 -10.318 2.938 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.978 -10.479 3.597 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.867 -10.801 2.946 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.946 -10.341 4.918 1.00 2.33 N ATOM 0 H ARG A 117 7.991 -9.450 -1.643 1.00 0.19 H new ATOM 0 HA ARG A 117 10.407 -9.916 -0.231 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.856 -11.333 -0.810 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.224 -12.363 -0.440 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.779 -11.993 1.716 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.426 -10.382 1.481 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.177 -9.506 1.002 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.497 -11.117 1.101 1.00 0.34 H new ATOM 0 HE ARG A 117 7.956 -10.069 3.481 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.887 -10.928 1.934 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.993 -10.922 3.458 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.799 -10.112 5.428 1.00 2.33 H new ATOM 0 HH22 ARG A 117 5.068 -10.464 5.422 1.00 2.33 H new ATOM 1103 N SER A 118 10.233 -11.024 -3.254 1.00 0.26 N ATOM 1104 CA SER A 118 10.995 -11.617 -4.347 1.00 0.31 C ATOM 1105 C SER A 118 12.066 -10.652 -4.805 1.00 0.28 C ATOM 1106 O SER A 118 13.196 -11.031 -5.120 1.00 0.32 O ATOM 1107 CB SER A 118 10.068 -11.911 -5.520 1.00 0.37 C ATOM 1108 OG SER A 118 10.629 -12.852 -6.424 1.00 0.68 O ATOM 0 H SER A 118 9.363 -10.578 -3.546 1.00 0.26 H new ATOM 0 HA SER A 118 11.454 -12.541 -3.996 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.119 -12.292 -5.144 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.851 -10.984 -6.051 1.00 0.37 H new ATOM 0 HG SER A 118 10.002 -13.013 -7.160 1.00 0.68 H new ATOM 1114 N ARG A 119 11.686 -9.397 -4.822 1.00 0.23 N ATOM 1115 CA ARG A 119 12.494 -8.350 -5.378 1.00 0.20 C ATOM 1116 C ARG A 119 12.553 -7.157 -4.450 1.00 0.18 C ATOM 1117 O ARG A 119 11.919 -6.132 -4.692 1.00 0.17 O ATOM 1118 CB ARG A 119 11.908 -7.949 -6.716 1.00 0.25 C ATOM 1119 CG ARG A 119 12.385 -8.813 -7.853 1.00 0.33 C ATOM 1120 CD ARG A 119 13.749 -8.363 -8.336 1.00 0.33 C ATOM 1121 NE ARG A 119 14.437 -9.415 -9.075 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.686 -9.314 -9.530 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.360 -8.177 -9.403 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.252 -10.345 -10.138 1.00 1.19 N ATOM 0 H ARG A 119 10.795 -9.075 -4.444 1.00 0.23 H new ATOM 0 HA ARG A 119 13.514 -8.712 -5.510 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.821 -8.001 -6.660 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.167 -6.911 -6.923 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.434 -9.853 -7.530 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.670 -8.768 -8.675 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.638 -7.485 -8.973 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.356 -8.062 -7.482 1.00 0.33 H new ATOM 0 HE ARG A 119 13.931 -10.282 -9.255 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.922 -7.372 -8.954 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.315 -8.108 -9.754 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.732 -11.215 -10.258 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.208 -10.270 -10.487 1.00 1.19 H new ATOM 1138 N PRO A 120 13.322 -7.288 -3.373 1.00 0.19 N ATOM 1139 CA PRO A 120 13.538 -6.213 -2.408 1.00 0.19 C ATOM 1140 C PRO A 120 14.313 -5.039 -3.009 1.00 0.20 C ATOM 1141 O PRO A 120 14.432 -3.981 -2.394 1.00 0.21 O ATOM 1142 CB PRO A 120 14.334 -6.901 -1.307 1.00 0.23 C ATOM 1143 CG PRO A 120 15.043 -7.989 -2.015 1.00 0.25 C ATOM 1144 CD PRO A 120 14.034 -8.514 -2.980 1.00 0.22 C ATOM 0 HA PRO A 120 12.606 -5.769 -2.058 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.031 -6.214 -0.828 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.682 -7.290 -0.525 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.930 -7.618 -2.528 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.375 -8.764 -1.324 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.502 -9.006 -3.833 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.368 -9.243 -2.518 1.00 0.22 H new ATOM 1152 N ALA A 121 14.848 -5.232 -4.215 1.00 0.20 N ATOM 1153 CA ALA A 121 15.459 -4.129 -4.952 1.00 0.22 C ATOM 1154 C ALA A 121 14.370 -3.344 -5.654 1.00 0.19 C ATOM 1155 O ALA A 121 14.414 -2.120 -5.759 1.00 0.21 O ATOM 1156 CB ALA A 121 16.463 -4.638 -5.969 1.00 0.25 C ATOM 0 H ALA A 121 14.870 -6.131 -4.696 1.00 0.20 H new ATOM 0 HA ALA A 121 15.991 -3.489 -4.248 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.901 -3.794 -6.502 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.250 -5.192 -5.457 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.960 -5.294 -6.680 1.00 0.25 H new ATOM 1162 N LYS A 122 13.375 -4.083 -6.111 1.00 0.16 N ATOM 1163 CA LYS A 122 12.228 -3.504 -6.777 1.00 0.16 C ATOM 1164 C LYS A 122 11.221 -3.000 -5.759 1.00 0.11 C ATOM 1165 O LYS A 122 10.147 -2.539 -6.123 1.00 0.11 O ATOM 1166 CB LYS A 122 11.582 -4.514 -7.709 1.00 0.20 C ATOM 1167 CG LYS A 122 12.505 -4.936 -8.825 1.00 0.27 C ATOM 1168 CD LYS A 122 11.770 -5.115 -10.127 1.00 0.41 C ATOM 1169 CE LYS A 122 10.714 -6.178 -10.016 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.057 -6.469 -11.315 1.00 1.07 N ATOM 0 H LYS A 122 13.342 -5.099 -6.030 1.00 0.16 H new ATOM 0 HA LYS A 122 12.570 -2.658 -7.374 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.282 -5.392 -7.137 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.675 -4.085 -8.134 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.288 -4.188 -8.950 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.997 -5.870 -8.555 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.310 -4.171 -10.420 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.477 -5.382 -10.912 1.00 0.41 H new ATOM 0 HE2 LYS A 122 11.163 -7.092 -9.628 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.960 -5.862 -9.295 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.338 -7.208 -11.182 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.603 -5.605 -11.676 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.769 -6.797 -11.998 1.00 1.07 H new ATOM 1184 N LEU A 123 11.556 -3.128 -4.476 1.00 0.10 N ATOM 1185 CA LEU A 123 10.747 -2.578 -3.400 1.00 0.08 C ATOM 1186 C LEU A 123 10.307 -1.154 -3.687 1.00 0.08 C ATOM 1187 O LEU A 123 9.158 -0.821 -3.468 1.00 0.13 O ATOM 1188 CB LEU A 123 11.527 -2.608 -2.100 1.00 0.12 C ATOM 1189 CG LEU A 123 10.769 -2.070 -0.901 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.505 -2.869 -0.667 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.644 -2.084 0.325 1.00 0.23 C ATOM 0 H LEU A 123 12.394 -3.615 -4.158 1.00 0.10 H new ATOM 0 HA LEU A 123 9.853 -3.196 -3.318 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.826 -3.636 -1.894 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.442 -2.029 -2.226 1.00 0.12 H new ATOM 0 HG LEU A 123 10.485 -1.038 -1.107 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.976 -2.468 0.197 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.865 -2.804 -1.547 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.763 -3.912 -0.482 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.085 -1.695 1.176 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.960 -3.106 0.535 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.522 -1.461 0.153 1.00 0.23 H new ATOM 1203 N TYR A 124 11.204 -0.327 -4.197 1.00 0.11 N ATOM 1204 CA TYR A 124 10.848 1.023 -4.584 1.00 0.10 C ATOM 1205 C TYR A 124 9.781 1.024 -5.648 1.00 0.11 C ATOM 1206 O TYR A 124 8.915 1.873 -5.639 1.00 0.14 O ATOM 1207 CB TYR A 124 12.061 1.787 -5.079 1.00 0.14 C ATOM 1208 CG TYR A 124 12.563 2.722 -4.045 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.274 2.446 -2.745 1.00 0.33 C ATOM 1210 CD2 TYR A 124 13.298 3.855 -4.346 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.685 3.251 -1.738 1.00 0.74 C ATOM 1212 CE2 TYR A 124 13.730 4.689 -3.342 1.00 1.74 C ATOM 1213 CZ TYR A 124 13.418 4.384 -2.033 1.00 1.45 C ATOM 1214 OH TYR A 124 13.824 5.220 -1.030 1.00 1.89 O ATOM 0 H TYR A 124 12.183 -0.569 -4.352 1.00 0.11 H new ATOM 0 HA TYR A 124 10.456 1.519 -3.696 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.849 1.086 -5.353 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.802 2.342 -5.980 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.701 1.561 -2.510 1.00 0.33 H new ATOM 0 HD2 TYR A 124 13.533 4.085 -5.375 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.442 3.010 -0.714 1.00 0.74 H new ATOM 0 HE2 TYR A 124 14.306 5.572 -3.575 1.00 1.74 H new ATOM 0 HH TYR A 124 14.623 5.710 -1.316 1.00 1.89 H new ATOM 1224 N VAL A 125 9.806 0.050 -6.528 1.00 0.10 N ATOM 1225 CA VAL A 125 8.815 -0.029 -7.580 1.00 0.12 C ATOM 1226 C VAL A 125 7.456 -0.195 -6.938 1.00 0.11 C ATOM 1227 O VAL A 125 6.473 0.428 -7.316 1.00 0.14 O ATOM 1228 CB VAL A 125 9.074 -1.251 -8.468 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.061 -1.327 -9.575 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.483 -1.239 -9.014 1.00 0.18 C ATOM 0 H VAL A 125 10.499 -0.698 -6.538 1.00 0.10 H new ATOM 0 HA VAL A 125 8.863 0.875 -8.187 1.00 0.12 H new ATOM 0 HB VAL A 125 8.968 -2.145 -7.854 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.263 -2.201 -10.194 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.061 -1.407 -9.148 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.123 -0.427 -10.187 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.638 -2.118 -9.640 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.635 -0.338 -9.609 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.194 -1.253 -8.188 1.00 0.18 H new ATOM 1240 N TYR A 126 7.464 -1.044 -5.938 1.00 0.07 N ATOM 1241 CA TYR A 126 6.291 -1.421 -5.173 1.00 0.08 C ATOM 1242 C TYR A 126 5.869 -0.302 -4.227 1.00 0.08 C ATOM 1243 O TYR A 126 4.688 0.018 -4.118 1.00 0.10 O ATOM 1244 CB TYR A 126 6.659 -2.690 -4.413 1.00 0.11 C ATOM 1245 CG TYR A 126 7.283 -3.730 -5.310 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.852 -3.906 -6.621 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.325 -4.513 -4.855 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.446 -4.842 -7.445 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.918 -5.455 -5.674 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.476 -5.611 -6.960 1.00 0.28 C ATOM 1251 OH TYR A 126 9.053 -6.566 -7.755 1.00 0.36 O ATOM 0 H TYR A 126 8.315 -1.509 -5.621 1.00 0.07 H new ATOM 0 HA TYR A 126 5.437 -1.599 -5.826 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.353 -2.442 -3.610 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.765 -3.104 -3.946 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.041 -3.302 -7.000 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.682 -4.387 -3.844 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.104 -4.968 -8.462 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.727 -6.066 -5.301 1.00 0.27 H new ATOM 0 HH TYR A 126 8.509 -6.693 -8.561 1.00 0.36 H new ATOM 1261 N ILE A 127 6.845 0.275 -3.545 1.00 0.08 N ATOM 1262 CA ILE A 127 6.632 1.435 -2.697 1.00 0.11 C ATOM 1263 C ILE A 127 6.052 2.571 -3.515 1.00 0.12 C ATOM 1264 O ILE A 127 5.019 3.139 -3.169 1.00 0.14 O ATOM 1265 CB ILE A 127 7.965 1.879 -2.060 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.430 0.840 -1.059 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.846 3.235 -1.386 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.879 0.993 -0.696 1.00 0.13 C ATOM 0 H ILE A 127 7.812 -0.050 -3.565 1.00 0.08 H new ATOM 0 HA ILE A 127 5.932 1.169 -1.905 1.00 0.11 H new ATOM 0 HB ILE A 127 8.700 1.972 -2.859 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.824 0.914 -0.156 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.266 -0.155 -1.472 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.806 3.510 -0.950 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.554 3.983 -2.123 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.092 3.186 -0.600 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.157 0.223 0.024 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.491 0.891 -1.592 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.042 1.977 -0.256 1.00 0.13 H new ATOM 1280 N ASN A 128 6.722 2.881 -4.614 1.00 0.12 N ATOM 1281 CA ASN A 128 6.233 3.897 -5.543 1.00 0.15 C ATOM 1282 C ASN A 128 4.879 3.504 -6.130 1.00 0.12 C ATOM 1283 O ASN A 128 4.019 4.361 -6.317 1.00 0.12 O ATOM 1284 CB ASN A 128 7.243 4.164 -6.668 1.00 0.20 C ATOM 1285 CG ASN A 128 8.428 5.010 -6.214 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.398 6.238 -6.285 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.478 4.353 -5.742 1.00 0.42 N ATOM 0 H ASN A 128 7.604 2.447 -4.887 1.00 0.12 H new ATOM 0 HA ASN A 128 6.108 4.818 -4.974 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.609 3.213 -7.054 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.737 4.669 -7.491 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.299 4.866 -5.422 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.465 3.334 -5.699 1.00 0.42 H new ATOM 1294 N GLU A 129 4.687 2.219 -6.423 1.00 0.11 N ATOM 1295 CA GLU A 129 3.406 1.723 -6.913 1.00 0.10 C ATOM 1296 C GLU A 129 2.293 2.023 -5.936 1.00 0.09 C ATOM 1297 O GLU A 129 1.341 2.716 -6.257 1.00 0.14 O ATOM 1298 CB GLU A 129 3.450 0.225 -7.125 1.00 0.14 C ATOM 1299 CG GLU A 129 2.829 -0.198 -8.429 1.00 0.26 C ATOM 1300 CD GLU A 129 1.438 0.363 -8.679 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.333 1.563 -9.009 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.447 -0.380 -8.507 1.00 1.55 O ATOM 0 H GLU A 129 5.406 1.502 -6.329 1.00 0.11 H new ATOM 0 HA GLU A 129 3.214 2.229 -7.859 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.486 -0.111 -7.095 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.931 -0.269 -6.304 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.483 0.110 -9.245 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.778 -1.286 -8.456 1.00 0.26 H new ATOM 1309 N LEU A 130 2.451 1.504 -4.740 1.00 0.07 N ATOM 1310 CA LEU A 130 1.456 1.636 -3.695 1.00 0.08 C ATOM 1311 C LEU A 130 1.234 3.108 -3.390 1.00 0.09 C ATOM 1312 O LEU A 130 0.106 3.552 -3.212 1.00 0.10 O ATOM 1313 CB LEU A 130 1.914 0.892 -2.449 1.00 0.08 C ATOM 1314 CG LEU A 130 0.794 0.261 -1.633 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.135 -0.864 -2.409 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.343 -0.251 -0.317 1.00 0.08 C ATOM 0 H LEU A 130 3.277 0.975 -4.461 1.00 0.07 H new ATOM 0 HA LEU A 130 0.514 1.201 -4.029 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.613 0.110 -2.746 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.463 1.584 -1.811 1.00 0.08 H new ATOM 0 HG LEU A 130 0.038 1.019 -1.429 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.662 -1.302 -1.809 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.283 -0.471 -3.336 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.876 -1.629 -2.641 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.537 -0.701 0.263 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.113 -0.998 -0.510 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.774 0.578 0.244 1.00 0.08 H new ATOM 1328 N CYS A 131 2.323 3.863 -3.364 1.00 0.11 N ATOM 1329 CA CYS A 131 2.261 5.305 -3.199 1.00 0.13 C ATOM 1330 C CYS A 131 1.415 5.930 -4.310 1.00 0.13 C ATOM 1331 O CYS A 131 0.549 6.763 -4.052 1.00 0.14 O ATOM 1332 CB CYS A 131 3.680 5.883 -3.216 1.00 0.18 C ATOM 1333 SG CYS A 131 3.764 7.675 -3.392 1.00 1.39 S ATOM 0 H CYS A 131 3.269 3.494 -3.456 1.00 0.11 H new ATOM 0 HA CYS A 131 1.793 5.538 -2.242 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.184 5.599 -2.292 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.234 5.425 -4.035 1.00 0.18 H new ATOM 0 HG CYS A 131 4.286 8.192 -2.320 1.00 1.39 H new ATOM 1339 N THR A 132 1.668 5.501 -5.538 1.00 0.12 N ATOM 1340 CA THR A 132 0.913 5.972 -6.696 1.00 0.14 C ATOM 1341 C THR A 132 -0.539 5.526 -6.591 1.00 0.11 C ATOM 1342 O THR A 132 -1.457 6.303 -6.815 1.00 0.15 O ATOM 1343 CB THR A 132 1.529 5.454 -8.012 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.868 5.946 -8.145 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.708 5.887 -9.218 1.00 0.24 C ATOM 0 H THR A 132 2.396 4.822 -5.762 1.00 0.12 H new ATOM 0 HA THR A 132 0.956 7.061 -6.706 1.00 0.14 H new ATOM 0 HB THR A 132 1.534 4.365 -7.976 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.447 5.499 -7.493 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.170 5.505 -10.129 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.304 5.491 -9.131 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.669 6.976 -9.260 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.724 4.264 -6.245 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.027 3.687 -5.960 1.00 0.07 C ATOM 1355 C VAL A 133 -2.827 4.532 -4.981 1.00 0.07 C ATOM 1356 O VAL A 133 -4.000 4.837 -5.206 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.829 2.281 -5.375 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.059 1.774 -4.651 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.431 1.323 -6.468 1.00 0.10 C ATOM 0 H VAL A 133 0.043 3.598 -6.152 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.589 3.645 -6.893 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.031 2.346 -4.635 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.864 0.776 -4.257 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.301 2.448 -3.829 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.898 1.733 -5.345 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.292 0.327 -6.046 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.214 1.290 -7.226 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.499 1.657 -6.923 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.182 4.910 -3.900 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.831 5.661 -2.843 1.00 0.11 C ATOM 1371 C LEU A 134 -3.011 7.120 -3.251 1.00 0.14 C ATOM 1372 O LEU A 134 -3.943 7.786 -2.812 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.007 5.539 -1.570 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.762 4.100 -1.115 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.700 4.051 -0.037 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.051 3.474 -0.622 1.00 0.16 C ATOM 0 H LEU A 134 -1.197 4.708 -3.727 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.825 5.252 -2.661 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.045 6.027 -1.726 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.513 6.079 -0.770 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.404 3.527 -1.970 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.542 3.018 0.272 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.232 4.460 -0.426 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.025 4.640 0.821 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.859 2.450 -0.302 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.437 4.051 0.219 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.785 3.471 -1.428 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.112 7.599 -4.103 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.202 8.903 -4.690 1.00 0.17 C ATOM 1390 C LYS A 135 -3.359 8.915 -5.674 1.00 0.15 C ATOM 1391 O LYS A 135 -4.035 9.925 -5.870 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.885 9.178 -5.415 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.474 10.622 -5.401 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.431 11.471 -6.207 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.304 11.213 -7.705 1.00 1.32 C ATOM 1396 NZ LYS A 135 0.071 11.478 -8.210 1.00 1.82 N ATOM 0 H LYS A 135 -1.291 7.072 -4.401 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.375 9.669 -3.934 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.097 8.581 -4.955 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.974 8.846 -6.449 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.441 10.983 -4.373 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.533 10.720 -5.806 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.453 11.265 -5.889 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.240 12.525 -6.003 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.573 10.178 -7.917 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.013 11.843 -8.241 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 0.046 11.589 -9.244 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.438 12.349 -7.777 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.691 10.681 -7.963 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.585 7.756 -6.267 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.600 7.583 -7.269 1.00 0.14 C ATOM 1412 C ALA A 136 -5.968 7.512 -6.623 1.00 0.16 C ATOM 1413 O ALA A 136 -6.949 8.034 -7.149 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.322 6.308 -8.048 1.00 0.17 C ATOM 0 H ALA A 136 -3.060 6.907 -6.059 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.585 8.435 -7.949 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.090 6.172 -8.810 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.345 6.379 -8.526 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.332 5.457 -7.368 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.020 6.862 -5.472 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.285 6.578 -4.820 1.00 0.23 C ATOM 1422 C HIS A 137 -7.315 7.145 -3.411 1.00 0.24 C ATOM 1423 O HIS A 137 -7.623 6.440 -2.445 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.539 5.070 -4.802 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.348 4.434 -6.146 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.854 4.976 -7.303 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.646 3.342 -6.521 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.468 4.253 -8.331 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.736 3.250 -7.888 1.00 0.34 N ATOM 0 H HIS A 137 -5.200 6.521 -4.971 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.080 7.061 -5.388 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.866 4.601 -4.084 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.555 4.881 -4.457 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.113 2.667 -5.867 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.710 4.448 -9.365 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.308 2.526 -8.465 1.00 0.34 H new ATOM 1438 N SER A 138 -6.979 8.418 -3.299 1.00 0.26 N ATOM 1439 CA SER A 138 -7.150 9.124 -2.065 1.00 0.30 C ATOM 1440 C SER A 138 -8.637 9.407 -1.871 1.00 0.36 C ATOM 1441 O SER A 138 -9.379 9.558 -2.843 1.00 0.56 O ATOM 1442 CB SER A 138 -6.348 10.411 -2.098 1.00 0.40 C ATOM 1443 OG SER A 138 -4.988 10.169 -2.427 1.00 1.23 O ATOM 0 H SER A 138 -6.586 8.976 -4.057 1.00 0.26 H new ATOM 0 HA SER A 138 -6.789 8.526 -1.228 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.784 11.094 -2.827 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.407 10.902 -1.127 1.00 0.40 H new ATOM 0 HG SER A 138 -4.789 9.216 -2.315 1.00 1.23 H new ATOM 1449 N ALA A 139 -9.065 9.468 -0.620 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.473 9.631 -0.273 1.00 0.34 C ATOM 1451 C ALA A 139 -11.042 10.983 -0.691 1.00 0.72 C ATOM 1452 O ALA A 139 -12.184 11.294 -0.360 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.655 9.437 1.219 1.00 0.26 C ATOM 0 H ALA A 139 -8.446 9.406 0.188 1.00 0.26 H new ATOM 0 HA ALA A 139 -11.026 8.873 -0.827 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.707 9.559 1.476 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.327 8.436 1.498 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.062 10.176 1.757 1.00 0.26 H new ATOM 1459 N LYS A 140 -10.231 11.782 -1.398 1.00 1.04 N ATOM 1460 CA LYS A 140 -10.513 13.200 -1.647 1.00 1.45 C ATOM 1461 C LYS A 140 -10.351 13.986 -0.350 1.00 1.34 C ATOM 1462 O LYS A 140 -10.508 15.205 -0.320 1.00 1.80 O ATOM 1463 CB LYS A 140 -11.902 13.385 -2.269 1.00 2.25 C ATOM 1464 CG LYS A 140 -12.028 12.692 -3.621 1.00 3.01 C ATOM 1465 CD LYS A 140 -13.465 12.607 -4.102 1.00 3.61 C ATOM 1466 CE LYS A 140 -13.548 11.820 -5.401 1.00 4.40 C ATOM 1467 NZ LYS A 140 -14.948 11.593 -5.845 1.00 4.94 N ATOM 0 H LYS A 140 -9.357 11.460 -1.815 1.00 1.04 H new ATOM 0 HA LYS A 140 -9.797 13.589 -2.371 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -12.657 12.991 -1.589 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -12.105 14.449 -2.388 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -11.433 13.231 -4.358 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -11.613 11.687 -3.550 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -14.082 12.129 -3.341 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -13.864 13.610 -4.252 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -13.006 12.355 -6.181 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -13.052 10.858 -5.271 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -14.947 11.053 -6.734 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -15.461 11.058 -5.115 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -15.417 12.509 -5.997 1.00 4.94 H new ATOM 1481 N LYS A 141 -9.986 13.223 0.692 1.00 1.51 N ATOM 1482 CA LYS A 141 -9.641 13.703 2.035 1.00 2.10 C ATOM 1483 C LYS A 141 -10.255 15.057 2.386 1.00 2.90 C ATOM 1484 O LYS A 141 -9.535 16.030 2.612 1.00 3.44 O ATOM 1485 CB LYS A 141 -8.113 13.737 2.260 1.00 2.17 C ATOM 1486 CG LYS A 141 -7.246 13.317 1.067 1.00 2.04 C ATOM 1487 CD LYS A 141 -7.253 14.361 -0.038 1.00 2.31 C ATOM 1488 CE LYS A 141 -6.927 15.749 0.495 1.00 3.03 C ATOM 1489 NZ LYS A 141 -7.166 16.806 -0.520 1.00 3.84 N ATOM 0 H LYS A 141 -9.921 12.208 0.615 1.00 1.51 H new ATOM 0 HA LYS A 141 -10.083 12.973 2.713 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -7.831 14.749 2.549 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -7.876 13.087 3.102 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -6.222 13.152 1.403 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -7.609 12.368 0.672 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -6.527 14.086 -0.803 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -8.232 14.376 -0.518 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -7.534 15.950 1.377 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -5.884 15.780 0.812 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -6.931 17.735 -0.116 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -6.568 16.630 -1.352 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -8.166 16.795 -0.804 1.00 3.84 H new ATOM 1503 N LYS A 142 -11.579 15.120 2.394 1.00 3.43 N ATOM 1504 CA LYS A 142 -12.269 16.298 2.905 1.00 4.37 C ATOM 1505 C LYS A 142 -12.056 16.434 4.404 1.00 4.96 C ATOM 1506 O LYS A 142 -12.866 15.979 5.211 1.00 5.45 O ATOM 1507 CB LYS A 142 -13.761 16.271 2.593 1.00 5.00 C ATOM 1508 CG LYS A 142 -14.112 16.855 1.243 1.00 5.31 C ATOM 1509 CD LYS A 142 -13.707 15.937 0.099 1.00 5.43 C ATOM 1510 CE LYS A 142 -14.128 16.495 -1.252 1.00 6.16 C ATOM 1511 NZ LYS A 142 -13.349 17.705 -1.632 1.00 6.56 N ATOM 0 H LYS A 142 -12.192 14.378 2.056 1.00 3.43 H new ATOM 0 HA LYS A 142 -11.840 17.163 2.399 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -14.113 15.240 2.635 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -14.295 16.822 3.367 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -15.185 17.040 1.196 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -13.617 17.819 1.126 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -12.626 15.795 0.112 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -14.159 14.956 0.243 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -13.999 15.728 -2.016 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -15.189 16.743 -1.225 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -13.636 18.019 -2.581 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -13.532 18.465 -0.946 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -12.334 17.478 -1.635 1.00 6.56 H new ATOM 1525 N LEU A 143 -10.944 17.046 4.759 1.00 5.33 N ATOM 1526 CA LEU A 143 -10.609 17.299 6.146 1.00 6.23 C ATOM 1527 C LEU A 143 -10.579 18.800 6.379 1.00 7.01 C ATOM 1528 O LEU A 143 -9.750 19.307 7.139 1.00 7.76 O ATOM 1529 CB LEU A 143 -9.247 16.683 6.479 1.00 6.61 C ATOM 1530 CG LEU A 143 -9.099 15.194 6.147 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -7.676 14.729 6.407 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -10.088 14.362 6.953 1.00 6.92 C ATOM 0 H LEU A 143 -10.247 17.382 4.094 1.00 5.33 H new ATOM 0 HA LEU A 143 -11.358 16.845 6.794 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -8.476 17.236 5.942 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -9.055 16.821 7.543 1.00 6.61 H new ATOM 0 HG LEU A 143 -9.319 15.056 5.088 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -7.590 13.670 6.166 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -6.987 15.300 5.785 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -7.429 14.883 7.457 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -9.966 13.308 6.702 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -9.902 14.506 8.017 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -11.105 14.676 6.717 1.00 6.92 H new ATOM 1544 N ASN A 144 -11.487 19.502 5.696 1.00 7.08 N ATOM 1545 CA ASN A 144 -11.527 20.966 5.713 1.00 8.03 C ATOM 1546 C ASN A 144 -10.279 21.522 5.034 1.00 8.20 C ATOM 1547 O ASN A 144 -9.333 21.928 5.738 1.00 8.61 O ATOM 1548 CB ASN A 144 -11.653 21.507 7.148 1.00 8.72 C ATOM 1549 CG ASN A 144 -11.709 23.027 7.221 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -12.330 23.657 6.237 1.00 9.46 O flip ATOM 1551 ND2 ASN A 144 -11.219 23.631 8.178 1.00 9.73 N flip ATOM 1552 OXT ASN A 144 -10.232 21.505 3.786 1.00 8.17 O ATOM 0 H ASN A 144 -12.211 19.074 5.119 1.00 7.08 H new ATOM 0 HA ASN A 144 -12.409 21.294 5.163 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -12.553 21.096 7.605 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -10.806 21.154 7.737 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -10.747 23.114 8.920 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -11.286 24.648 8.228 1.00 9.73 H new TER 1559 ASN A 144