USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1150 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 117 ASN : amide:sc= -0.167 X(o=-0.19,f=-0.51) USER MOD Set 1.2: B 122 MET CE :methyl -160:sc= -0.0203 (180deg=-0.238) USER MOD Set 2.1: B 99 LYS NZ :NH3+ -175:sc= 1.22 (180deg=-0.0993) USER MOD Set 2.2: B 100 ASN : amide:sc= 1.03 K(o=2.2,f=-3.3) USER MOD Set 3.1: B 69 SER OG : rot 170:sc= 1.13 USER MOD Set 3.2: B 80 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0) USER MOD Set 4.1: A 55 THR OG1 : rot -55:sc= 1.15 USER MOD Set 4.2: A 57 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 1 MET CE :methyl 139:sc= -0.384 (180deg=-0.516) USER MOD Single : A 1 MET N :NH3+ -104:sc= 1.35 (180deg=-0.0545) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.458 F(o=-1.7,f=-0.46) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.06) USER MOD Single : A 7 THR OG1 : rot -44:sc= -0.331 USER MOD Single : A 9 THR OG1 : rot -39:sc= 0.884 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0695) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 20 SER OG : rot 180:sc= 0.114 USER MOD Single : A 22 THR OG1 : rot 157:sc= 0.833 USER MOD Single : A 25 ASN : amide:sc= 1.04 K(o=1,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.23 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= -0.0118 K(o=-0.012,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.263) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.17 K(o=-2.2,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0451 K(o=-0.045,f=-0.68) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 60 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 1.42 USER MOD Single : A 66 THR OG1 : rot 131:sc= 1.26 USER MOD Single : A 68 HIS : no HD1:sc= 1.07 K(o=1.1,f=-5.4!) USER MOD Single : B 56 LYS NZ :NH3+ 163:sc= 1.18 (180deg=1) USER MOD Single : B 59 TYR OH : rot -31:sc= -0.119 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 1.01 K(o=1,f=-0.15) USER MOD Single : B 78 SER OG : rot -93:sc= 1.32 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0.692 K(o=0.69,f=-0.71) USER MOD Single : B 85 THR OG1 : rot -92:sc= 1.32 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -47:sc= 0.504 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 98 GLN :FLIP amide:sc= -0.205 F(o=-0.81,f=-0.21) USER MOD Single : B 103 ASN : amide:sc= 0.0654 K(o=0.065,f=-4.7!) USER MOD Single : B 105 MET CE :methyl 177:sc= -0.0512 (180deg=-0.0624) USER MOD Single : B 109 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 112 LYS NZ :NH3+ -153:sc= 0.318! (180deg=0.0201) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : B 119 LYS NZ :NH3+ -125:sc= 0.959 (180deg=0.562) USER MOD Single : B 121 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.715 4.924 -7.021 1.00 1.19 N ATOM 2 CA MET A 1 -19.488 5.470 -7.639 1.00 1.06 C ATOM 3 C MET A 1 -18.447 4.372 -7.811 1.00 1.03 C ATOM 4 O MET A 1 -18.470 3.365 -7.099 1.00 1.13 O ATOM 5 CB MET A 1 -18.910 6.604 -6.784 1.00 1.01 C ATOM 6 CG MET A 1 -18.400 6.159 -5.418 1.00 1.07 C ATOM 7 SD MET A 1 -17.427 7.431 -4.590 1.00 1.25 S ATOM 8 CE MET A 1 -18.591 8.792 -4.560 1.00 1.32 C ATOM 0 H1 MET A 1 -21.451 4.816 -7.748 1.00 1.19 H new ATOM 0 H2 MET A 1 -20.508 3.997 -6.598 1.00 1.19 H new ATOM 0 H3 MET A 1 -21.051 5.575 -6.282 1.00 1.19 H new ATOM 0 HA MET A 1 -19.750 5.869 -8.619 1.00 1.06 H new ATOM 0 HB2 MET A 1 -18.092 7.074 -7.329 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.678 7.365 -6.643 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.248 5.889 -4.789 1.00 1.07 H new ATOM 0 HG3 MET A 1 -17.792 5.262 -5.536 1.00 1.07 H new ATOM 0 HE1 MET A 1 -18.533 9.299 -3.597 1.00 1.32 H new ATOM 0 HE2 MET A 1 -18.348 9.496 -5.356 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.601 8.410 -4.709 1.00 1.32 H new ATOM 20 N GLN A 2 -17.542 4.568 -8.757 1.00 0.93 N ATOM 21 CA GLN A 2 -16.484 3.606 -9.013 1.00 0.89 C ATOM 22 C GLN A 2 -15.174 4.123 -8.436 1.00 0.85 C ATOM 23 O GLN A 2 -14.710 5.208 -8.793 1.00 0.93 O ATOM 24 CB GLN A 2 -16.352 3.342 -10.518 1.00 0.94 C ATOM 25 CG GLN A 2 -15.265 2.342 -10.871 1.00 1.18 C ATOM 26 CD GLN A 2 -15.559 1.592 -12.155 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.134 0.407 -12.036 1.00 1.35 O flip ATOM 28 NE2 GLN A 2 -15.263 2.071 -13.248 1.00 1.61 N flip ATOM 0 H GLN A 2 -17.520 5.389 -9.362 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.733 2.662 -8.528 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -17.306 2.977 -10.899 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -16.145 4.284 -11.026 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -14.313 2.865 -10.969 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.154 1.628 -10.055 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -14.820 2.988 -13.300 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -15.460 1.551 -14.103 1.00 1.61 H new ATOM 37 N ILE A 3 -14.595 3.356 -7.529 1.00 0.76 N ATOM 38 CA ILE A 3 -13.346 3.747 -6.894 1.00 0.72 C ATOM 39 C ILE A 3 -12.178 2.968 -7.480 1.00 0.68 C ATOM 40 O ILE A 3 -12.359 1.892 -8.059 1.00 0.66 O ATOM 41 CB ILE A 3 -13.378 3.559 -5.356 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.401 2.067 -4.973 1.00 0.60 C ATOM 43 CG2 ILE A 3 -14.563 4.306 -4.754 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.787 1.457 -4.888 1.00 0.78 C ATOM 0 H ILE A 3 -14.968 2.460 -7.215 1.00 0.76 H new ATOM 0 HA ILE A 3 -13.215 4.810 -7.095 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.463 3.983 -4.942 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.817 1.509 -5.705 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.905 1.945 -4.010 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -14.572 4.164 -3.673 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -14.476 5.369 -4.980 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.490 3.920 -5.178 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.705 0.405 -4.613 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.371 1.985 -4.134 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.282 1.542 -5.856 1.00 0.78 H new ATOM 56 N PHE A 4 -10.986 3.523 -7.341 1.00 0.68 N ATOM 57 CA PHE A 4 -9.786 2.888 -7.856 1.00 0.66 C ATOM 58 C PHE A 4 -8.917 2.401 -6.701 1.00 0.61 C ATOM 59 O PHE A 4 -8.288 3.200 -6.003 1.00 0.70 O ATOM 60 CB PHE A 4 -8.998 3.867 -8.736 1.00 0.73 C ATOM 61 CG PHE A 4 -9.662 4.191 -10.047 1.00 0.82 C ATOM 62 CD1 PHE A 4 -10.780 5.010 -10.093 1.00 0.88 C ATOM 63 CD2 PHE A 4 -9.164 3.681 -11.236 1.00 1.03 C ATOM 64 CE1 PHE A 4 -11.385 5.312 -11.294 1.00 0.96 C ATOM 65 CE2 PHE A 4 -9.769 3.980 -12.441 1.00 1.12 C ATOM 66 CZ PHE A 4 -10.882 4.796 -12.470 1.00 1.00 C ATOM 0 H PHE A 4 -10.824 4.415 -6.874 1.00 0.68 H new ATOM 0 HA PHE A 4 -10.077 2.032 -8.465 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.843 4.793 -8.182 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -8.012 3.446 -8.935 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -11.182 5.416 -9.176 1.00 0.88 H new ATOM 0 HD2 PHE A 4 -8.293 3.043 -11.220 1.00 1.03 H new ATOM 0 HE1 PHE A 4 -12.254 5.953 -11.314 1.00 0.96 H new ATOM 0 HE2 PHE A 4 -9.371 3.576 -13.360 1.00 1.12 H new ATOM 0 HZ PHE A 4 -11.358 5.030 -13.411 1.00 1.00 H new ATOM 76 N VAL A 5 -8.891 1.096 -6.489 1.00 0.53 N ATOM 77 CA VAL A 5 -8.102 0.531 -5.410 1.00 0.51 C ATOM 78 C VAL A 5 -6.769 0.006 -5.935 1.00 0.51 C ATOM 79 O VAL A 5 -6.718 -0.843 -6.829 1.00 0.53 O ATOM 80 CB VAL A 5 -8.873 -0.575 -4.649 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.434 -1.617 -5.600 1.00 0.56 C ATOM 82 CG2 VAL A 5 -7.984 -1.223 -3.600 1.00 0.54 C ATOM 0 H VAL A 5 -9.404 0.413 -7.046 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.901 1.331 -4.697 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.716 -0.104 -4.143 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.969 -2.378 -5.032 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.119 -1.139 -6.301 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.618 -2.083 -6.152 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.544 -1.997 -3.076 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.115 -1.669 -4.084 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.654 -0.468 -2.886 1.00 0.54 H new ATOM 92 N LYS A 6 -5.693 0.550 -5.389 1.00 0.54 N ATOM 93 CA LYS A 6 -4.353 0.165 -5.780 1.00 0.58 C ATOM 94 C LYS A 6 -3.843 -0.963 -4.890 1.00 0.56 C ATOM 95 O LYS A 6 -3.747 -0.814 -3.670 1.00 0.51 O ATOM 96 CB LYS A 6 -3.412 1.371 -5.698 1.00 0.63 C ATOM 97 CG LYS A 6 -2.072 1.155 -6.387 1.00 1.21 C ATOM 98 CD LYS A 6 -1.196 2.400 -6.317 1.00 1.17 C ATOM 99 CE LYS A 6 -1.860 3.598 -6.981 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.923 4.742 -7.127 1.00 1.38 N ATOM 0 H LYS A 6 -5.727 1.268 -4.665 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.380 -0.191 -6.810 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.904 2.235 -6.145 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -3.236 1.612 -4.650 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -1.553 0.318 -5.920 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -2.238 0.885 -7.430 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.982 2.635 -5.274 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -0.240 2.200 -6.802 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -2.234 3.308 -7.963 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -2.722 3.908 -6.391 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.464 5.615 -7.291 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.359 4.842 -6.259 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -0.289 4.571 -7.934 1.00 1.38 H new ATOM 114 N THR A 7 -3.536 -2.087 -5.511 1.00 0.61 N ATOM 115 CA THR A 7 -3.032 -3.249 -4.804 1.00 0.62 C ATOM 116 C THR A 7 -1.552 -3.073 -4.473 1.00 0.63 C ATOM 117 O THR A 7 -0.896 -2.171 -4.998 1.00 0.74 O ATOM 118 CB THR A 7 -3.233 -4.515 -5.652 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.336 -4.318 -6.543 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.500 -5.728 -4.773 1.00 0.90 C ATOM 0 H THR A 7 -3.629 -2.220 -6.518 1.00 0.61 H new ATOM 0 HA THR A 7 -3.588 -3.354 -3.873 1.00 0.62 H new ATOM 0 HB THR A 7 -2.321 -4.699 -6.219 1.00 0.69 H new ATOM 0 HG1 THR A 7 -5.076 -3.896 -6.059 1.00 1.05 H new ATOM 0 HG21 THR A 7 -3.638 -6.609 -5.400 1.00 0.90 H new ATOM 0 HG22 THR A 7 -2.653 -5.887 -4.106 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.400 -5.558 -4.182 1.00 0.90 H new ATOM 128 N LEU A 8 -1.036 -3.941 -3.611 1.00 0.62 N ATOM 129 CA LEU A 8 0.359 -3.893 -3.182 1.00 0.65 C ATOM 130 C LEU A 8 1.334 -3.862 -4.360 1.00 0.67 C ATOM 131 O LEU A 8 2.249 -3.046 -4.390 1.00 0.73 O ATOM 132 CB LEU A 8 0.665 -5.097 -2.295 1.00 0.72 C ATOM 133 CG LEU A 8 1.981 -5.018 -1.519 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.949 -3.867 -0.524 1.00 1.54 C ATOM 135 CD2 LEU A 8 2.260 -6.334 -0.808 1.00 0.94 C ATOM 0 H LEU A 8 -1.572 -4.699 -3.189 1.00 0.62 H new ATOM 0 HA LEU A 8 0.495 -2.967 -2.624 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.151 -5.220 -1.583 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.682 -5.991 -2.918 1.00 0.72 H new ATOM 0 HG LEU A 8 2.788 -4.833 -2.228 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.894 -3.828 0.018 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.798 -2.929 -1.058 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.132 -4.019 0.182 1.00 1.54 H new ATOM 0 HD21 LEU A 8 3.200 -6.260 -0.261 1.00 0.94 H new ATOM 0 HD22 LEU A 8 1.450 -6.550 -0.111 1.00 0.94 H new ATOM 0 HD23 LEU A 8 2.330 -7.137 -1.542 1.00 0.94 H new ATOM 147 N THR A 9 1.117 -4.730 -5.341 1.00 0.67 N ATOM 148 CA THR A 9 1.993 -4.816 -6.510 1.00 0.74 C ATOM 149 C THR A 9 1.824 -3.621 -7.463 1.00 0.75 C ATOM 150 O THR A 9 2.435 -3.579 -8.533 1.00 0.90 O ATOM 151 CB THR A 9 1.749 -6.136 -7.284 1.00 0.80 C ATOM 152 OG1 THR A 9 2.674 -6.269 -8.371 1.00 1.26 O ATOM 153 CG2 THR A 9 0.323 -6.203 -7.816 1.00 0.91 C ATOM 0 H THR A 9 0.338 -5.389 -5.352 1.00 0.67 H new ATOM 0 HA THR A 9 3.015 -4.797 -6.132 1.00 0.74 H new ATOM 0 HB THR A 9 1.902 -6.958 -6.585 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.803 -5.397 -8.800 1.00 1.26 H new ATOM 0 HG21 THR A 9 0.179 -7.140 -8.355 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.379 -6.152 -6.983 1.00 0.91 H new ATOM 0 HG23 THR A 9 0.147 -5.365 -8.491 1.00 0.91 H new ATOM 161 N GLY A 10 1.004 -2.651 -7.080 1.00 0.71 N ATOM 162 CA GLY A 10 0.794 -1.489 -7.922 1.00 0.75 C ATOM 163 C GLY A 10 -0.282 -1.721 -8.961 1.00 0.76 C ATOM 164 O GLY A 10 -0.311 -1.055 -9.997 1.00 0.89 O ATOM 0 H GLY A 10 0.482 -2.648 -6.204 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.518 -0.637 -7.300 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.728 -1.230 -8.421 1.00 0.75 H new ATOM 168 N LYS A 11 -1.165 -2.663 -8.685 1.00 0.82 N ATOM 169 CA LYS A 11 -2.258 -2.988 -9.589 1.00 0.85 C ATOM 170 C LYS A 11 -3.454 -2.091 -9.290 1.00 0.77 C ATOM 171 O LYS A 11 -3.762 -1.837 -8.131 1.00 0.78 O ATOM 172 CB LYS A 11 -2.649 -4.461 -9.429 1.00 0.90 C ATOM 173 CG LYS A 11 -3.858 -4.877 -10.254 1.00 0.96 C ATOM 174 CD LYS A 11 -4.602 -6.028 -9.597 1.00 1.09 C ATOM 175 CE LYS A 11 -5.803 -6.462 -10.420 1.00 1.43 C ATOM 176 NZ LYS A 11 -5.399 -7.095 -11.703 1.00 1.63 N ATOM 0 H LYS A 11 -1.147 -3.223 -7.833 1.00 0.82 H new ATOM 0 HA LYS A 11 -1.936 -2.821 -10.617 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.800 -5.084 -9.710 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.855 -4.659 -8.377 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -4.530 -4.027 -10.373 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.536 -5.172 -11.253 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.925 -6.872 -9.467 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.931 -5.728 -8.602 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -6.404 -7.165 -9.842 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -6.434 -5.597 -10.625 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -6.234 -7.512 -12.162 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -4.982 -6.376 -12.329 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -4.698 -7.840 -11.517 1.00 1.63 H new ATOM 190 N THR A 12 -4.104 -1.597 -10.326 1.00 0.85 N ATOM 191 CA THR A 12 -5.261 -0.739 -10.146 1.00 0.80 C ATOM 192 C THR A 12 -6.545 -1.498 -10.471 1.00 0.81 C ATOM 193 O THR A 12 -6.759 -1.913 -11.612 1.00 0.91 O ATOM 194 CB THR A 12 -5.164 0.515 -11.034 1.00 0.85 C ATOM 195 OG1 THR A 12 -3.785 0.830 -11.276 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.847 1.706 -10.380 1.00 0.84 C ATOM 0 H THR A 12 -3.852 -1.774 -11.299 1.00 0.85 H new ATOM 0 HA THR A 12 -5.283 -0.426 -9.102 1.00 0.80 H new ATOM 0 HB THR A 12 -5.669 0.303 -11.977 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.726 1.627 -11.843 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.762 2.577 -11.030 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.900 1.477 -10.216 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.369 1.920 -9.424 1.00 0.84 H new ATOM 204 N ILE A 13 -7.386 -1.698 -9.465 1.00 0.72 N ATOM 205 CA ILE A 13 -8.638 -2.414 -9.657 1.00 0.74 C ATOM 206 C ILE A 13 -9.814 -1.445 -9.678 1.00 0.71 C ATOM 207 O ILE A 13 -9.913 -0.553 -8.829 1.00 0.64 O ATOM 208 CB ILE A 13 -8.879 -3.468 -8.557 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.550 -4.036 -8.041 1.00 0.74 C ATOM 210 CG2 ILE A 13 -9.763 -4.589 -9.089 1.00 0.80 C ATOM 211 CD1 ILE A 13 -7.694 -4.857 -6.781 1.00 0.85 C ATOM 0 H ILE A 13 -7.224 -1.375 -8.511 1.00 0.72 H new ATOM 0 HA ILE A 13 -8.560 -2.927 -10.616 1.00 0.74 H new ATOM 0 HB ILE A 13 -9.387 -2.983 -7.723 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.102 -4.654 -8.819 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.861 -3.213 -7.852 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -9.926 -5.327 -8.304 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.721 -4.178 -9.405 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.274 -5.065 -9.939 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.716 -5.227 -6.474 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.113 -4.237 -5.989 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.357 -5.701 -6.970 1.00 0.85 H new ATOM 223 N THR A 14 -10.697 -1.621 -10.649 1.00 0.80 N ATOM 224 CA THR A 14 -11.866 -0.769 -10.791 1.00 0.81 C ATOM 225 C THR A 14 -13.098 -1.418 -10.165 1.00 0.78 C ATOM 226 O THR A 14 -13.678 -2.346 -10.731 1.00 0.83 O ATOM 227 CB THR A 14 -12.141 -0.466 -12.276 1.00 0.94 C ATOM 228 OG1 THR A 14 -11.246 -1.230 -13.100 1.00 1.01 O ATOM 229 CG2 THR A 14 -11.963 1.016 -12.567 1.00 1.07 C ATOM 0 H THR A 14 -10.624 -2.353 -11.356 1.00 0.80 H new ATOM 0 HA THR A 14 -11.658 0.165 -10.268 1.00 0.81 H new ATOM 0 HB THR A 14 -13.172 -0.742 -12.499 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.425 -1.036 -14.044 1.00 1.01 H new ATOM 0 HG21 THR A 14 -12.162 1.206 -13.622 1.00 1.07 H new ATOM 0 HG22 THR A 14 -12.658 1.593 -11.957 1.00 1.07 H new ATOM 0 HG23 THR A 14 -10.941 1.313 -12.332 1.00 1.07 H new ATOM 237 N LEU A 15 -13.490 -0.936 -8.994 1.00 0.74 N ATOM 238 CA LEU A 15 -14.650 -1.485 -8.301 1.00 0.75 C ATOM 239 C LEU A 15 -15.816 -0.509 -8.338 1.00 0.79 C ATOM 240 O LEU A 15 -15.659 0.677 -8.051 1.00 0.81 O ATOM 241 CB LEU A 15 -14.303 -1.832 -6.851 1.00 0.74 C ATOM 242 CG LEU A 15 -14.263 -3.332 -6.526 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.621 -3.977 -6.768 1.00 0.97 C ATOM 244 CD2 LEU A 15 -13.190 -4.031 -7.351 1.00 0.93 C ATOM 0 H LEU A 15 -13.026 -0.170 -8.505 1.00 0.74 H new ATOM 0 HA LEU A 15 -14.945 -2.398 -8.818 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.331 -1.400 -6.614 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.032 -1.355 -6.196 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.016 -3.441 -5.470 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.567 -5.039 -6.531 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.368 -3.501 -6.133 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.902 -3.853 -7.814 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -13.177 -5.093 -7.106 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -13.407 -3.905 -8.412 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.217 -3.595 -7.126 1.00 0.93 H new ATOM 256 N GLU A 16 -16.982 -1.020 -8.701 1.00 0.84 N ATOM 257 CA GLU A 16 -18.188 -0.211 -8.789 1.00 0.90 C ATOM 258 C GLU A 16 -19.176 -0.581 -7.681 1.00 0.83 C ATOM 259 O GLU A 16 -19.651 -1.718 -7.608 1.00 0.87 O ATOM 260 CB GLU A 16 -18.843 -0.366 -10.175 1.00 1.04 C ATOM 261 CG GLU A 16 -19.207 -1.799 -10.557 1.00 1.10 C ATOM 262 CD GLU A 16 -17.998 -2.676 -10.827 1.00 1.18 C ATOM 263 OE1 GLU A 16 -17.433 -2.594 -11.935 1.00 1.26 O ATOM 264 OE2 GLU A 16 -17.603 -3.445 -9.926 1.00 1.26 O ATOM 0 H GLU A 16 -17.119 -2.002 -8.942 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.907 0.834 -8.655 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -19.747 0.243 -10.204 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.164 0.034 -10.928 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -19.797 -2.243 -9.755 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -19.839 -1.781 -11.445 1.00 1.10 H new ATOM 271 N VAL A 17 -19.473 0.377 -6.813 1.00 0.79 N ATOM 272 CA VAL A 17 -20.402 0.149 -5.711 1.00 0.77 C ATOM 273 C VAL A 17 -21.251 1.390 -5.460 1.00 0.78 C ATOM 274 O VAL A 17 -20.850 2.504 -5.803 1.00 0.77 O ATOM 275 CB VAL A 17 -19.678 -0.247 -4.403 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.337 -1.733 -4.404 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.424 0.589 -4.204 1.00 0.71 C ATOM 0 H VAL A 17 -19.085 1.320 -6.850 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.040 -0.683 -6.008 1.00 0.77 H new ATOM 0 HB VAL A 17 -20.353 -0.051 -3.570 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.828 -1.990 -3.475 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.254 -2.317 -4.489 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -18.685 -1.956 -5.248 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.932 0.292 -3.278 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.745 0.432 -5.042 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.695 1.643 -4.149 1.00 0.71 H new ATOM 287 N GLU A 18 -22.416 1.194 -4.872 1.00 0.86 N ATOM 288 CA GLU A 18 -23.326 2.292 -4.585 1.00 0.91 C ATOM 289 C GLU A 18 -22.859 3.062 -3.349 1.00 0.89 C ATOM 290 O GLU A 18 -22.081 2.546 -2.555 1.00 0.85 O ATOM 291 CB GLU A 18 -24.738 1.743 -4.367 1.00 1.00 C ATOM 292 CG GLU A 18 -25.403 1.255 -5.643 1.00 1.11 C ATOM 293 CD GLU A 18 -25.579 2.363 -6.661 1.00 1.10 C ATOM 294 OE1 GLU A 18 -26.447 3.234 -6.448 1.00 1.29 O ATOM 295 OE2 GLU A 18 -24.842 2.376 -7.668 1.00 1.46 O ATOM 0 H GLU A 18 -22.758 0.278 -4.581 1.00 0.86 H new ATOM 0 HA GLU A 18 -23.335 2.978 -5.432 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.693 0.921 -3.653 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.356 2.521 -3.919 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.804 0.456 -6.079 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.377 0.828 -5.402 1.00 1.11 H new ATOM 302 N PRO A 19 -23.315 4.316 -3.168 1.00 0.95 N ATOM 303 CA PRO A 19 -22.939 5.118 -2.001 1.00 0.99 C ATOM 304 C PRO A 19 -23.474 4.502 -0.713 1.00 1.05 C ATOM 305 O PRO A 19 -22.875 4.634 0.355 1.00 1.09 O ATOM 306 CB PRO A 19 -23.599 6.474 -2.262 1.00 1.08 C ATOM 307 CG PRO A 19 -24.699 6.187 -3.223 1.00 1.07 C ATOM 308 CD PRO A 19 -24.213 5.052 -4.076 1.00 1.04 C ATOM 0 HA PRO A 19 -21.859 5.186 -1.874 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -23.984 6.910 -1.340 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -22.887 7.186 -2.678 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -25.616 5.917 -2.698 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -24.926 7.063 -3.830 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -25.036 4.427 -4.424 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -23.687 5.409 -4.962 1.00 1.04 H new ATOM 316 N SER A 20 -24.607 3.821 -0.839 1.00 1.11 N ATOM 317 CA SER A 20 -25.247 3.162 0.283 1.00 1.22 C ATOM 318 C SER A 20 -24.628 1.787 0.519 1.00 1.11 C ATOM 319 O SER A 20 -24.956 1.104 1.490 1.00 1.16 O ATOM 320 CB SER A 20 -26.743 3.028 0.005 1.00 1.42 C ATOM 321 OG SER A 20 -27.074 3.616 -1.246 1.00 1.61 O ATOM 0 H SER A 20 -25.104 3.713 -1.723 1.00 1.11 H new ATOM 0 HA SER A 20 -25.098 3.761 1.181 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.025 1.975 0.004 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.311 3.510 0.801 1.00 1.42 H new ATOM 0 HG SER A 20 -28.036 3.520 -1.409 1.00 1.61 H new ATOM 327 N ASP A 21 -23.726 1.390 -0.375 1.00 0.99 N ATOM 328 CA ASP A 21 -23.055 0.105 -0.262 1.00 0.91 C ATOM 329 C ASP A 21 -22.008 0.175 0.829 1.00 0.86 C ATOM 330 O ASP A 21 -20.999 0.867 0.687 1.00 0.89 O ATOM 331 CB ASP A 21 -22.390 -0.292 -1.586 1.00 0.87 C ATOM 332 CG ASP A 21 -23.170 -1.340 -2.344 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.620 -2.319 -1.715 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.334 -1.195 -3.577 1.00 1.32 O ATOM 0 H ASP A 21 -23.445 1.943 -1.185 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.801 -0.650 -0.014 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.279 0.594 -2.211 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.387 -0.668 -1.385 1.00 0.87 H new ATOM 339 N THR A 22 -22.263 -0.509 1.931 1.00 0.83 N ATOM 340 CA THR A 22 -21.332 -0.522 3.041 1.00 0.82 C ATOM 341 C THR A 22 -20.025 -1.186 2.622 1.00 0.76 C ATOM 342 O THR A 22 -20.021 -2.056 1.745 1.00 0.75 O ATOM 343 CB THR A 22 -21.928 -1.254 4.258 1.00 0.88 C ATOM 344 OG1 THR A 22 -22.924 -2.201 3.826 1.00 1.00 O ATOM 345 CG2 THR A 22 -22.545 -0.259 5.235 1.00 1.13 C ATOM 0 H THR A 22 -23.107 -1.062 2.079 1.00 0.83 H new ATOM 0 HA THR A 22 -21.135 0.511 3.328 1.00 0.82 H new ATOM 0 HB THR A 22 -21.125 -1.787 4.767 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.030 -2.898 4.507 1.00 1.00 H new ATOM 0 HG21 THR A 22 -22.960 -0.796 6.088 1.00 1.13 H new ATOM 0 HG22 THR A 22 -21.778 0.434 5.581 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.338 0.297 4.735 1.00 1.13 H new ATOM 353 N ILE A 23 -18.923 -0.775 3.241 1.00 0.74 N ATOM 354 CA ILE A 23 -17.607 -1.329 2.927 1.00 0.69 C ATOM 355 C ILE A 23 -17.621 -2.859 2.997 1.00 0.67 C ATOM 356 O ILE A 23 -16.904 -3.531 2.256 1.00 0.63 O ATOM 357 CB ILE A 23 -16.520 -0.770 3.876 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.526 0.766 3.856 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.141 -1.302 3.503 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.287 1.366 2.486 1.00 0.69 C ATOM 0 H ILE A 23 -18.914 -0.058 3.966 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.366 -1.027 1.908 1.00 0.69 H new ATOM 0 HB ILE A 23 -16.750 -1.106 4.887 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.485 1.120 4.234 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -15.760 1.131 4.540 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.396 -0.893 4.186 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.139 -2.390 3.573 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.900 -1.004 2.483 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.306 2.454 2.557 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.315 1.044 2.112 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.067 1.033 1.802 1.00 0.69 H new ATOM 372 N GLU A 24 -18.467 -3.397 3.870 1.00 0.71 N ATOM 373 CA GLU A 24 -18.594 -4.841 4.027 1.00 0.72 C ATOM 374 C GLU A 24 -19.002 -5.501 2.707 1.00 0.71 C ATOM 375 O GLU A 24 -18.535 -6.594 2.385 1.00 0.71 O ATOM 376 CB GLU A 24 -19.615 -5.168 5.119 1.00 0.80 C ATOM 377 CG GLU A 24 -21.042 -4.786 4.762 1.00 0.95 C ATOM 378 CD GLU A 24 -21.989 -4.863 5.939 1.00 0.97 C ATOM 379 OE1 GLU A 24 -21.663 -5.546 6.933 1.00 1.14 O ATOM 380 OE2 GLU A 24 -23.071 -4.241 5.871 1.00 1.64 O ATOM 0 H GLU A 24 -19.076 -2.853 4.481 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.622 -5.238 4.321 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.577 -6.237 5.330 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -19.330 -4.652 6.036 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -21.051 -3.772 4.362 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -21.401 -5.444 3.971 1.00 0.95 H new ATOM 387 N ASN A 25 -19.851 -4.826 1.933 1.00 0.72 N ATOM 388 CA ASN A 25 -20.312 -5.362 0.657 1.00 0.73 C ATOM 389 C ASN A 25 -19.253 -5.140 -0.411 1.00 0.69 C ATOM 390 O ASN A 25 -19.098 -5.947 -1.325 1.00 0.70 O ATOM 391 CB ASN A 25 -21.636 -4.721 0.225 1.00 0.79 C ATOM 392 CG ASN A 25 -22.359 -5.559 -0.815 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.230 -6.785 -0.835 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.122 -4.912 -1.681 1.00 0.97 N ATOM 0 H ASN A 25 -20.232 -3.909 2.168 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.483 -6.431 0.783 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.278 -4.591 1.096 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.443 -3.727 -0.180 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.630 -5.429 -2.399 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.202 -3.896 -1.631 1.00 0.97 H new ATOM 401 N VAL A 26 -18.520 -4.042 -0.283 1.00 0.65 N ATOM 402 CA VAL A 26 -17.453 -3.728 -1.224 1.00 0.62 C ATOM 403 C VAL A 26 -16.374 -4.799 -1.131 1.00 0.58 C ATOM 404 O VAL A 26 -15.902 -5.314 -2.144 1.00 0.57 O ATOM 405 CB VAL A 26 -16.820 -2.343 -0.952 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.849 -1.971 -2.065 1.00 0.59 C ATOM 407 CG2 VAL A 26 -17.894 -1.275 -0.794 1.00 0.63 C ATOM 0 H VAL A 26 -18.644 -3.355 0.461 1.00 0.65 H new ATOM 0 HA VAL A 26 -17.889 -3.702 -2.223 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.264 -2.402 -0.016 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.414 -0.994 -1.856 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.056 -2.717 -2.121 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.381 -1.936 -3.016 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.423 -0.311 -0.604 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.485 -1.216 -1.708 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.543 -1.533 0.043 1.00 0.63 H new ATOM 417 N LYS A 27 -16.016 -5.150 0.103 1.00 0.57 N ATOM 418 CA LYS A 27 -15.012 -6.176 0.357 1.00 0.54 C ATOM 419 C LYS A 27 -15.484 -7.522 -0.184 1.00 0.55 C ATOM 420 O LYS A 27 -14.687 -8.323 -0.669 1.00 0.52 O ATOM 421 CB LYS A 27 -14.734 -6.283 1.863 1.00 0.59 C ATOM 422 CG LYS A 27 -14.128 -5.023 2.465 1.00 0.67 C ATOM 423 CD LYS A 27 -14.123 -5.065 3.990 1.00 0.82 C ATOM 424 CE LYS A 27 -13.093 -6.051 4.530 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.975 -5.997 6.013 1.00 1.08 N ATOM 0 H LYS A 27 -16.411 -4.734 0.947 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.090 -5.896 -0.153 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.666 -6.510 2.380 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.059 -7.120 2.040 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.107 -4.902 2.102 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.691 -4.153 2.128 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -13.911 -4.069 4.380 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -15.114 -5.343 4.348 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -13.368 -7.061 4.227 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -12.122 -5.838 4.083 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.263 -6.685 6.330 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -12.686 -5.041 6.304 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -13.894 -6.227 6.443 1.00 1.08 H new ATOM 439 N ALA A 28 -16.790 -7.756 -0.103 1.00 0.63 N ATOM 440 CA ALA A 28 -17.380 -8.995 -0.585 1.00 0.68 C ATOM 441 C ALA A 28 -17.356 -9.048 -2.109 1.00 0.68 C ATOM 442 O ALA A 28 -17.097 -10.095 -2.704 1.00 0.75 O ATOM 443 CB ALA A 28 -18.804 -9.134 -0.069 1.00 0.75 C ATOM 0 H ALA A 28 -17.461 -7.099 0.294 1.00 0.63 H new ATOM 0 HA ALA A 28 -16.788 -9.829 -0.207 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.235 -10.065 -0.437 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -18.797 -9.143 1.021 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.402 -8.294 -0.421 1.00 0.75 H new ATOM 449 N LYS A 29 -17.611 -7.902 -2.732 1.00 0.65 N ATOM 450 CA LYS A 29 -17.626 -7.802 -4.184 1.00 0.70 C ATOM 451 C LYS A 29 -16.235 -8.068 -4.752 1.00 0.67 C ATOM 452 O LYS A 29 -16.090 -8.671 -5.816 1.00 0.76 O ATOM 453 CB LYS A 29 -18.121 -6.421 -4.615 1.00 0.72 C ATOM 454 CG LYS A 29 -18.802 -6.413 -5.973 1.00 1.05 C ATOM 455 CD LYS A 29 -19.574 -5.124 -6.200 1.00 1.00 C ATOM 456 CE LYS A 29 -20.361 -5.169 -7.499 1.00 1.39 C ATOM 457 NZ LYS A 29 -21.210 -3.961 -7.682 1.00 1.23 N ATOM 0 H LYS A 29 -17.811 -7.026 -2.249 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.309 -8.556 -4.576 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -18.818 -6.045 -3.866 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.276 -5.733 -4.638 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -18.054 -6.534 -6.757 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -19.481 -7.263 -6.046 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -20.255 -4.955 -5.366 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.881 -4.283 -6.222 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -19.670 -5.256 -8.338 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -20.990 -6.059 -7.510 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.415 -3.831 -8.693 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -22.102 -4.081 -7.161 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -20.708 -3.125 -7.320 1.00 1.23 H new ATOM 471 N ILE A 30 -15.212 -7.626 -4.036 1.00 0.57 N ATOM 472 CA ILE A 30 -13.838 -7.839 -4.462 1.00 0.55 C ATOM 473 C ILE A 30 -13.484 -9.322 -4.359 1.00 0.61 C ATOM 474 O ILE A 30 -12.689 -9.842 -5.146 1.00 0.65 O ATOM 475 CB ILE A 30 -12.851 -6.990 -3.630 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.200 -5.505 -3.771 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.412 -7.246 -4.070 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.468 -4.607 -2.797 1.00 0.45 C ATOM 0 H ILE A 30 -15.308 -7.117 -3.157 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.752 -7.522 -5.501 1.00 0.55 H new ATOM 0 HB ILE A 30 -12.938 -7.278 -2.582 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -12.973 -5.184 -4.787 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.273 -5.379 -3.629 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.735 -6.638 -3.471 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.171 -8.300 -3.932 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.301 -6.983 -5.122 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.769 -3.572 -2.960 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.714 -4.900 -1.776 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.393 -4.701 -2.952 1.00 0.45 H new ATOM 490 N GLN A 31 -14.108 -10.005 -3.408 1.00 0.64 N ATOM 491 CA GLN A 31 -13.886 -11.431 -3.205 1.00 0.74 C ATOM 492 C GLN A 31 -14.414 -12.232 -4.396 1.00 0.81 C ATOM 493 O GLN A 31 -13.866 -13.271 -4.757 1.00 0.87 O ATOM 494 CB GLN A 31 -14.575 -11.887 -1.916 1.00 0.80 C ATOM 495 CG GLN A 31 -14.533 -13.390 -1.687 1.00 1.04 C ATOM 496 CD GLN A 31 -15.580 -13.853 -0.693 1.00 1.06 C ATOM 497 OE1 GLN A 31 -15.959 -13.118 0.215 1.00 0.95 O ATOM 498 NE2 GLN A 31 -16.063 -15.073 -0.862 1.00 1.53 N ATOM 0 H GLN A 31 -14.778 -9.590 -2.760 1.00 0.64 H new ATOM 0 HA GLN A 31 -12.814 -11.608 -3.119 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.104 -11.388 -1.069 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.615 -11.563 -1.939 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -14.685 -13.904 -2.636 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -13.544 -13.672 -1.327 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -15.723 -15.654 -1.628 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -16.775 -15.432 -0.226 1.00 1.53 H new ATOM 507 N ASP A 32 -15.463 -11.718 -5.018 1.00 0.85 N ATOM 508 CA ASP A 32 -16.086 -12.380 -6.161 1.00 0.94 C ATOM 509 C ASP A 32 -15.399 -12.009 -7.476 1.00 0.97 C ATOM 510 O ASP A 32 -15.693 -12.586 -8.528 1.00 1.05 O ATOM 511 CB ASP A 32 -17.565 -12.006 -6.239 1.00 1.01 C ATOM 512 CG ASP A 32 -18.468 -13.219 -6.304 1.00 1.17 C ATOM 513 OD1 ASP A 32 -18.790 -13.781 -5.235 1.00 1.33 O ATOM 514 OD2 ASP A 32 -18.875 -13.610 -7.419 1.00 1.32 O ATOM 0 H ASP A 32 -15.906 -10.839 -4.751 1.00 0.85 H new ATOM 0 HA ASP A 32 -15.980 -13.455 -6.014 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -17.831 -11.406 -5.369 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -17.733 -11.385 -7.119 1.00 1.01 H new ATOM 519 N LYS A 33 -14.490 -11.044 -7.421 1.00 0.95 N ATOM 520 CA LYS A 33 -13.783 -10.600 -8.617 1.00 1.02 C ATOM 521 C LYS A 33 -12.302 -10.956 -8.556 1.00 0.98 C ATOM 522 O LYS A 33 -11.791 -11.669 -9.417 1.00 1.14 O ATOM 523 CB LYS A 33 -13.955 -9.089 -8.815 1.00 1.02 C ATOM 524 CG LYS A 33 -15.375 -8.684 -9.182 1.00 1.05 C ATOM 525 CD LYS A 33 -15.448 -7.244 -9.672 1.00 1.15 C ATOM 526 CE LYS A 33 -16.832 -6.917 -10.207 1.00 1.33 C ATOM 527 NZ LYS A 33 -16.829 -5.716 -11.083 1.00 1.55 N ATOM 0 H LYS A 33 -14.225 -10.555 -6.566 1.00 0.95 H new ATOM 0 HA LYS A 33 -14.220 -11.121 -9.469 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -13.664 -8.575 -7.899 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -13.276 -8.753 -9.599 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -15.753 -9.350 -9.957 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.023 -8.805 -8.314 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -15.201 -6.566 -8.855 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -14.706 -7.085 -10.454 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -17.214 -7.771 -10.766 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -17.513 -6.753 -9.372 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -17.711 -5.686 -11.633 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -16.757 -4.859 -10.498 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -16.017 -5.761 -11.732 1.00 1.55 H new ATOM 541 N GLU A 34 -11.614 -10.467 -7.531 1.00 0.84 N ATOM 542 CA GLU A 34 -10.190 -10.730 -7.374 1.00 0.82 C ATOM 543 C GLU A 34 -9.956 -12.051 -6.658 1.00 0.82 C ATOM 544 O GLU A 34 -8.914 -12.683 -6.821 1.00 1.08 O ATOM 545 CB GLU A 34 -9.519 -9.590 -6.603 1.00 0.75 C ATOM 546 CG GLU A 34 -9.522 -8.265 -7.348 1.00 1.08 C ATOM 547 CD GLU A 34 -8.831 -8.360 -8.691 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.613 -8.635 -8.721 1.00 1.88 O ATOM 549 OE2 GLU A 34 -9.506 -8.178 -9.727 1.00 2.06 O ATOM 0 H GLU A 34 -12.020 -9.887 -6.797 1.00 0.84 H new ATOM 0 HA GLU A 34 -9.748 -10.795 -8.368 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.027 -9.461 -5.647 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -8.489 -9.870 -6.381 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -10.551 -7.935 -7.494 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -9.027 -7.508 -6.740 1.00 1.08 H new ATOM 556 N GLY A 35 -10.931 -12.466 -5.861 1.00 0.96 N ATOM 557 CA GLY A 35 -10.807 -13.713 -5.131 1.00 0.98 C ATOM 558 C GLY A 35 -10.246 -13.508 -3.741 1.00 0.87 C ATOM 559 O GLY A 35 -9.973 -14.474 -3.022 1.00 1.01 O ATOM 0 H GLY A 35 -11.805 -11.963 -5.707 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -11.785 -14.189 -5.060 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -10.161 -14.394 -5.685 1.00 0.98 H new ATOM 563 N ILE A 36 -10.060 -12.251 -3.365 1.00 0.83 N ATOM 564 CA ILE A 36 -9.539 -11.913 -2.049 1.00 0.72 C ATOM 565 C ILE A 36 -10.694 -11.735 -1.068 1.00 0.68 C ATOM 566 O ILE A 36 -11.493 -10.814 -1.205 1.00 0.71 O ATOM 567 CB ILE A 36 -8.697 -10.619 -2.080 1.00 0.70 C ATOM 568 CG1 ILE A 36 -7.721 -10.647 -3.259 1.00 0.86 C ATOM 569 CG2 ILE A 36 -7.945 -10.450 -0.765 1.00 0.66 C ATOM 570 CD1 ILE A 36 -7.019 -9.328 -3.495 1.00 0.88 C ATOM 0 H ILE A 36 -10.263 -11.445 -3.956 1.00 0.83 H new ATOM 0 HA ILE A 36 -8.894 -12.731 -1.730 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.366 -9.768 -2.209 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -6.974 -11.421 -3.083 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -8.263 -10.927 -4.162 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.355 -9.534 -0.799 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -8.658 -10.392 0.057 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.283 -11.303 -0.612 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -6.343 -9.422 -4.345 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -7.758 -8.554 -3.703 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.449 -9.055 -2.607 1.00 0.88 H new ATOM 582 N PRO A 37 -10.795 -12.622 -0.067 1.00 0.70 N ATOM 583 CA PRO A 37 -11.870 -12.571 0.927 1.00 0.76 C ATOM 584 C PRO A 37 -11.771 -11.346 1.831 1.00 0.68 C ATOM 585 O PRO A 37 -10.694 -10.762 1.984 1.00 0.66 O ATOM 586 CB PRO A 37 -11.668 -13.851 1.741 1.00 0.91 C ATOM 587 CG PRO A 37 -10.234 -14.200 1.561 1.00 0.86 C ATOM 588 CD PRO A 37 -9.860 -13.733 0.183 1.00 0.75 C ATOM 0 HA PRO A 37 -12.851 -12.499 0.457 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -11.906 -13.692 2.793 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -12.317 -14.651 1.385 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -9.617 -13.715 2.317 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -10.079 -15.274 1.664 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.822 -13.402 0.139 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -9.973 -14.527 -0.555 1.00 0.75 H new ATOM 596 N PRO A 38 -12.900 -10.947 2.452 1.00 0.67 N ATOM 597 CA PRO A 38 -12.960 -9.786 3.345 1.00 0.65 C ATOM 598 C PRO A 38 -11.939 -9.870 4.474 1.00 0.74 C ATOM 599 O PRO A 38 -11.475 -8.848 4.978 1.00 0.75 O ATOM 600 CB PRO A 38 -14.391 -9.816 3.909 1.00 0.70 C ATOM 601 CG PRO A 38 -14.918 -11.171 3.583 1.00 0.76 C ATOM 602 CD PRO A 38 -14.214 -11.594 2.326 1.00 0.73 C ATOM 0 HA PRO A 38 -12.726 -8.863 2.815 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.393 -9.643 4.985 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.007 -9.037 3.460 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -14.723 -11.872 4.395 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -15.998 -11.145 3.436 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.126 -12.678 2.258 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.745 -11.261 1.434 1.00 0.73 H new ATOM 610 N ASP A 39 -11.575 -11.094 4.839 1.00 0.85 N ATOM 611 CA ASP A 39 -10.608 -11.334 5.903 1.00 1.00 C ATOM 612 C ASP A 39 -9.259 -10.694 5.590 1.00 0.95 C ATOM 613 O ASP A 39 -8.592 -10.162 6.470 1.00 1.05 O ATOM 614 CB ASP A 39 -10.417 -12.834 6.109 1.00 1.20 C ATOM 615 CG ASP A 39 -11.496 -13.453 6.972 1.00 1.18 C ATOM 616 OD1 ASP A 39 -11.364 -13.404 8.214 1.00 1.53 O ATOM 617 OD2 ASP A 39 -12.468 -14.007 6.410 1.00 1.57 O ATOM 0 H ASP A 39 -11.940 -11.944 4.408 1.00 0.85 H new ATOM 0 HA ASP A 39 -11.001 -10.881 6.813 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -10.406 -13.330 5.139 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -9.445 -13.011 6.569 1.00 1.20 H new ATOM 622 N GLN A 40 -8.864 -10.743 4.326 1.00 0.91 N ATOM 623 CA GLN A 40 -7.588 -10.178 3.907 1.00 0.94 C ATOM 624 C GLN A 40 -7.795 -8.887 3.119 1.00 0.84 C ATOM 625 O GLN A 40 -6.835 -8.272 2.654 1.00 0.93 O ATOM 626 CB GLN A 40 -6.813 -11.192 3.065 1.00 1.05 C ATOM 627 CG GLN A 40 -6.185 -12.312 3.881 1.00 1.25 C ATOM 628 CD GLN A 40 -6.615 -13.688 3.412 1.00 1.38 C ATOM 629 OE1 GLN A 40 -6.043 -14.241 2.471 1.00 1.98 O ATOM 630 NE2 GLN A 40 -7.612 -14.261 4.072 1.00 1.60 N ATOM 0 H GLN A 40 -9.407 -11.167 3.574 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.010 -9.943 4.800 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.486 -11.626 2.325 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.029 -10.671 2.516 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -5.099 -12.235 3.821 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -6.456 -12.189 4.929 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -8.060 -13.770 4.846 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -7.931 -15.193 3.806 1.00 1.60 H new ATOM 639 N GLN A 41 -9.049 -8.478 2.981 1.00 0.75 N ATOM 640 CA GLN A 41 -9.382 -7.262 2.251 1.00 0.70 C ATOM 641 C GLN A 41 -9.235 -6.041 3.155 1.00 0.60 C ATOM 642 O GLN A 41 -10.221 -5.485 3.646 1.00 0.68 O ATOM 643 CB GLN A 41 -10.806 -7.344 1.696 1.00 0.73 C ATOM 644 CG GLN A 41 -11.097 -6.305 0.626 1.00 0.74 C ATOM 645 CD GLN A 41 -10.254 -6.494 -0.617 1.00 0.74 C ATOM 646 OE1 GLN A 41 -9.817 -5.527 -1.233 1.00 1.32 O ATOM 647 NE2 GLN A 41 -10.043 -7.739 -1.013 1.00 0.87 N ATOM 0 H GLN A 41 -9.854 -8.972 3.366 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.690 -7.161 1.415 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -10.969 -8.338 1.280 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -11.515 -7.220 2.515 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -12.152 -6.354 0.355 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -10.918 -5.310 1.033 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -10.423 -8.517 -0.474 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -9.500 -7.921 -1.857 1.00 0.87 H new ATOM 656 N ARG A 42 -7.996 -5.643 3.384 1.00 0.54 N ATOM 657 CA ARG A 42 -7.699 -4.497 4.227 1.00 0.55 C ATOM 658 C ARG A 42 -7.526 -3.240 3.372 1.00 0.47 C ATOM 659 O ARG A 42 -6.434 -2.949 2.880 1.00 0.51 O ATOM 660 CB ARG A 42 -6.438 -4.780 5.041 1.00 0.71 C ATOM 661 CG ARG A 42 -6.074 -3.693 6.038 1.00 0.83 C ATOM 662 CD ARG A 42 -4.583 -3.705 6.315 1.00 1.06 C ATOM 663 NE ARG A 42 -4.247 -3.235 7.657 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.007 -3.271 8.149 1.00 0.94 C ATOM 665 NH1 ARG A 42 -2.015 -3.733 7.394 1.00 1.58 N ATOM 666 NH2 ARG A 42 -2.762 -2.848 9.382 1.00 1.55 N ATOM 0 H ARG A 42 -7.172 -6.101 2.994 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.529 -4.325 4.912 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.571 -5.719 5.579 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.602 -4.921 4.355 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -6.370 -2.719 5.648 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.624 -3.844 6.967 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.203 -4.718 6.185 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -4.078 -3.079 5.580 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.993 -2.863 8.244 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -2.204 -4.057 6.445 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -1.065 -3.764 7.763 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -3.524 -2.493 9.960 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -1.812 -2.878 9.752 1.00 1.55 H new ATOM 680 N LEU A 43 -8.621 -2.517 3.183 1.00 0.47 N ATOM 681 CA LEU A 43 -8.610 -1.301 2.381 1.00 0.43 C ATOM 682 C LEU A 43 -8.203 -0.095 3.219 1.00 0.47 C ATOM 683 O LEU A 43 -8.879 0.260 4.184 1.00 0.55 O ATOM 684 CB LEU A 43 -9.987 -1.054 1.765 1.00 0.44 C ATOM 685 CG LEU A 43 -10.512 -2.176 0.869 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.970 -1.930 0.513 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.668 -2.283 -0.393 1.00 0.40 C ATOM 0 H LEU A 43 -9.532 -2.753 3.576 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.878 -1.436 1.585 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.703 -0.889 2.570 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.946 -0.134 1.182 1.00 0.44 H new ATOM 0 HG LEU A 43 -10.443 -3.118 1.413 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.330 -2.737 -0.125 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.566 -1.895 1.425 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.060 -0.981 -0.016 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -10.053 -3.086 -1.021 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.711 -1.341 -0.940 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.634 -2.498 -0.122 1.00 0.40 H new ATOM 699 N ILE A 44 -7.094 0.526 2.850 1.00 0.45 N ATOM 700 CA ILE A 44 -6.599 1.699 3.552 1.00 0.50 C ATOM 701 C ILE A 44 -6.801 2.946 2.699 1.00 0.52 C ATOM 702 O ILE A 44 -6.412 2.979 1.529 1.00 0.52 O ATOM 703 CB ILE A 44 -5.104 1.560 3.915 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.884 0.303 4.762 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.611 2.801 4.656 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.430 0.035 5.085 1.00 0.62 C ATOM 0 H ILE A 44 -6.516 0.234 2.062 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.167 1.789 4.478 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.529 1.466 2.994 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.442 0.401 5.693 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.294 -0.557 4.233 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.556 2.682 4.902 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.739 3.678 4.022 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.186 2.929 5.573 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.352 -0.870 5.687 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.870 -0.095 4.159 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -3.020 0.877 5.642 1.00 0.62 H new ATOM 718 N PHE A 45 -7.429 3.955 3.277 1.00 0.56 N ATOM 719 CA PHE A 45 -7.686 5.202 2.579 1.00 0.59 C ATOM 720 C PHE A 45 -7.405 6.381 3.500 1.00 0.68 C ATOM 721 O PHE A 45 -7.872 6.413 4.638 1.00 0.72 O ATOM 722 CB PHE A 45 -9.134 5.242 2.086 1.00 0.65 C ATOM 723 CG PHE A 45 -9.450 6.428 1.218 1.00 0.73 C ATOM 724 CD1 PHE A 45 -8.990 6.487 -0.087 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.204 7.483 1.707 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.278 7.575 -0.890 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.494 8.573 0.908 1.00 0.96 C ATOM 728 CZ PHE A 45 -10.030 8.619 -0.391 1.00 0.98 C ATOM 0 H PHE A 45 -7.773 3.934 4.237 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.024 5.268 1.715 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.342 4.330 1.527 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.801 5.247 2.948 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.399 5.674 -0.482 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.569 7.453 2.723 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -8.915 7.608 -1.907 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -11.084 9.389 1.300 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.255 9.471 -1.016 1.00 0.98 H new ATOM 738 N ALA A 46 -6.605 7.328 3.010 1.00 0.79 N ATOM 739 CA ALA A 46 -6.248 8.529 3.767 1.00 0.95 C ATOM 740 C ALA A 46 -5.494 8.195 5.059 1.00 0.94 C ATOM 741 O ALA A 46 -5.494 8.978 6.013 1.00 1.10 O ATOM 742 CB ALA A 46 -7.487 9.365 4.070 1.00 1.05 C ATOM 0 H ALA A 46 -6.187 7.285 2.080 1.00 0.79 H new ATOM 0 HA ALA A 46 -5.574 9.114 3.141 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -7.198 10.252 4.633 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -7.960 9.666 3.135 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -8.189 8.775 4.658 1.00 1.05 H new ATOM 748 N GLY A 47 -4.862 7.028 5.093 1.00 0.93 N ATOM 749 CA GLY A 47 -4.099 6.631 6.259 1.00 0.93 C ATOM 750 C GLY A 47 -4.903 5.835 7.270 1.00 0.82 C ATOM 751 O GLY A 47 -4.390 5.486 8.332 1.00 0.91 O ATOM 0 H GLY A 47 -4.865 6.349 4.332 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.244 6.036 5.938 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -3.702 7.523 6.744 1.00 0.93 H new ATOM 755 N LYS A 48 -6.157 5.551 6.955 1.00 0.78 N ATOM 756 CA LYS A 48 -7.005 4.788 7.857 1.00 0.77 C ATOM 757 C LYS A 48 -7.708 3.673 7.101 1.00 0.68 C ATOM 758 O LYS A 48 -7.976 3.800 5.908 1.00 0.61 O ATOM 759 CB LYS A 48 -8.031 5.701 8.535 1.00 0.91 C ATOM 760 CG LYS A 48 -8.180 5.442 10.027 1.00 1.51 C ATOM 761 CD LYS A 48 -6.889 5.742 10.773 1.00 2.12 C ATOM 762 CE LYS A 48 -7.024 5.470 12.262 1.00 2.92 C ATOM 763 NZ LYS A 48 -5.758 5.748 12.990 1.00 3.57 N ATOM 0 H LYS A 48 -6.608 5.836 6.086 1.00 0.78 H new ATOM 0 HA LYS A 48 -6.376 4.345 8.630 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -7.739 6.740 8.382 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -8.999 5.568 8.052 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -8.985 6.059 10.427 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -8.464 4.402 10.191 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -6.082 5.134 10.364 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -6.613 6.785 10.617 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -7.823 6.087 12.673 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -7.312 4.430 12.417 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -5.889 5.551 14.003 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -5.001 5.141 12.614 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -5.497 6.747 12.863 1.00 3.57 H new ATOM 777 N GLN A 49 -8.000 2.582 7.788 1.00 0.77 N ATOM 778 CA GLN A 49 -8.669 1.456 7.158 1.00 0.74 C ATOM 779 C GLN A 49 -10.178 1.668 7.146 1.00 0.72 C ATOM 780 O GLN A 49 -10.746 2.211 8.093 1.00 0.78 O ATOM 781 CB GLN A 49 -8.309 0.143 7.862 1.00 0.80 C ATOM 782 CG GLN A 49 -8.622 0.121 9.351 1.00 1.06 C ATOM 783 CD GLN A 49 -7.549 -0.587 10.154 1.00 1.51 C ATOM 784 OE1 GLN A 49 -6.837 -1.454 9.640 1.00 1.83 O ATOM 785 NE2 GLN A 49 -7.425 -0.224 11.419 1.00 2.01 N ATOM 0 H GLN A 49 -7.786 2.452 8.777 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.325 1.389 6.126 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.846 -0.673 7.378 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.245 -0.049 7.724 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -8.728 1.144 9.713 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.579 -0.375 9.511 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -8.034 0.497 11.805 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -6.720 -0.665 12.009 1.00 2.01 H new ATOM 794 N LEU A 50 -10.812 1.257 6.061 1.00 0.68 N ATOM 795 CA LEU A 50 -12.251 1.399 5.914 1.00 0.68 C ATOM 796 C LEU A 50 -12.968 0.294 6.676 1.00 0.71 C ATOM 797 O LEU A 50 -12.824 -0.887 6.355 1.00 0.69 O ATOM 798 CB LEU A 50 -12.637 1.352 4.433 1.00 0.64 C ATOM 799 CG LEU A 50 -11.888 2.334 3.529 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.217 2.071 2.069 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.227 3.770 3.891 1.00 0.72 C ATOM 0 H LEU A 50 -10.349 0.820 5.264 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.552 2.362 6.326 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.467 0.341 4.062 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.706 1.548 4.347 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.819 2.184 3.681 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.676 2.778 1.441 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.923 1.055 1.807 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.289 2.191 1.910 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.682 4.449 3.235 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.298 3.932 3.772 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.944 3.961 4.926 1.00 0.72 H new ATOM 813 N GLU A 51 -13.726 0.681 7.692 1.00 0.76 N ATOM 814 CA GLU A 51 -14.461 -0.276 8.509 1.00 0.79 C ATOM 815 C GLU A 51 -15.676 -0.808 7.759 1.00 0.76 C ATOM 816 O GLU A 51 -16.262 -0.108 6.936 1.00 0.77 O ATOM 817 CB GLU A 51 -14.909 0.365 9.821 1.00 0.88 C ATOM 818 CG GLU A 51 -13.803 1.086 10.570 1.00 0.94 C ATOM 819 CD GLU A 51 -14.280 1.646 11.890 1.00 1.04 C ATOM 820 OE1 GLU A 51 -15.082 2.601 11.882 1.00 1.33 O ATOM 821 OE2 GLU A 51 -13.874 1.117 12.944 1.00 1.25 O ATOM 0 H GLU A 51 -13.849 1.654 7.971 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.791 -1.107 8.731 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.712 1.072 9.612 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.326 -0.408 10.467 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -12.977 0.397 10.747 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.416 1.896 9.952 1.00 0.94 H new ATOM 828 N ASP A 52 -16.059 -2.045 8.059 1.00 0.77 N ATOM 829 CA ASP A 52 -17.209 -2.679 7.412 1.00 0.77 C ATOM 830 C ASP A 52 -18.505 -1.921 7.703 1.00 0.82 C ATOM 831 O ASP A 52 -19.388 -1.840 6.848 1.00 0.81 O ATOM 832 CB ASP A 52 -17.350 -4.149 7.846 1.00 0.81 C ATOM 833 CG ASP A 52 -17.007 -4.391 9.305 1.00 1.32 C ATOM 834 OD1 ASP A 52 -17.549 -3.686 10.179 1.00 1.66 O ATOM 835 OD2 ASP A 52 -16.186 -5.291 9.584 1.00 1.87 O ATOM 0 H ASP A 52 -15.590 -2.632 8.748 1.00 0.77 H new ATOM 0 HA ASP A 52 -17.029 -2.648 6.337 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -18.374 -4.476 7.664 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -16.703 -4.766 7.223 1.00 0.81 H new ATOM 840 N GLY A 53 -18.602 -1.347 8.898 1.00 0.93 N ATOM 841 CA GLY A 53 -19.792 -0.607 9.283 1.00 1.01 C ATOM 842 C GLY A 53 -19.739 0.849 8.868 1.00 0.95 C ATOM 843 O GLY A 53 -20.173 1.730 9.612 1.00 1.04 O ATOM 0 H GLY A 53 -17.873 -1.381 9.611 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.667 -1.076 8.834 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -19.918 -0.667 10.364 1.00 1.01 H new ATOM 847 N ARG A 54 -19.192 1.107 7.688 1.00 0.92 N ATOM 848 CA ARG A 54 -19.082 2.464 7.165 1.00 0.87 C ATOM 849 C ARG A 54 -19.439 2.479 5.682 1.00 0.83 C ATOM 850 O ARG A 54 -19.389 1.444 5.013 1.00 0.82 O ATOM 851 CB ARG A 54 -17.657 3.001 7.338 1.00 0.87 C ATOM 852 CG ARG A 54 -17.116 2.910 8.754 1.00 0.92 C ATOM 853 CD ARG A 54 -17.620 4.046 9.620 1.00 1.02 C ATOM 854 NE ARG A 54 -17.259 3.855 11.022 1.00 1.23 N ATOM 855 CZ ARG A 54 -18.022 4.221 12.042 1.00 1.64 C ATOM 856 NH1 ARG A 54 -19.185 4.822 11.824 1.00 1.89 N ATOM 857 NH2 ARG A 54 -17.625 3.975 13.284 1.00 1.95 N ATOM 0 H ARG A 54 -18.814 0.389 7.070 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.772 3.098 7.722 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -16.992 2.451 6.673 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.634 4.043 7.020 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.410 1.958 9.195 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -16.026 2.927 8.729 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.205 4.988 9.262 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.704 4.120 9.530 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.364 3.412 11.229 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -19.494 5.004 10.869 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -19.770 5.102 12.611 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -16.735 3.506 13.451 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -18.210 4.255 14.071 1.00 1.95 H new ATOM 871 N THR A 55 -19.808 3.647 5.183 1.00 0.84 N ATOM 872 CA THR A 55 -20.142 3.811 3.777 1.00 0.82 C ATOM 873 C THR A 55 -19.119 4.727 3.117 1.00 0.80 C ATOM 874 O THR A 55 -18.187 5.199 3.775 1.00 0.83 O ATOM 875 CB THR A 55 -21.553 4.409 3.591 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.633 5.689 4.234 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.617 3.483 4.160 1.00 0.85 C ATOM 0 H THR A 55 -19.884 4.501 5.735 1.00 0.84 H new ATOM 0 HA THR A 55 -20.127 2.825 3.312 1.00 0.82 H new ATOM 0 HB THR A 55 -21.733 4.527 2.522 1.00 0.89 H new ATOM 0 HG1 THR A 55 -21.379 5.598 5.176 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.602 3.928 4.016 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.575 2.522 3.648 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.438 3.334 5.225 1.00 0.85 H new ATOM 885 N LEU A 56 -19.291 4.990 1.831 1.00 0.78 N ATOM 886 CA LEU A 56 -18.376 5.860 1.107 1.00 0.77 C ATOM 887 C LEU A 56 -18.549 7.305 1.566 1.00 0.83 C ATOM 888 O LEU A 56 -17.607 8.098 1.544 1.00 0.88 O ATOM 889 CB LEU A 56 -18.614 5.742 -0.403 1.00 0.77 C ATOM 890 CG LEU A 56 -18.487 4.324 -0.966 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.925 4.288 -2.420 1.00 0.91 C ATOM 892 CD2 LEU A 56 -17.059 3.819 -0.827 1.00 1.12 C ATOM 0 H LEU A 56 -20.054 4.615 1.268 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.353 5.550 1.320 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.611 6.119 -0.630 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -17.904 6.388 -0.920 1.00 0.77 H new ATOM 0 HG LEU A 56 -19.141 3.667 -0.392 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.828 3.273 -2.804 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.965 4.607 -2.495 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.297 4.959 -3.006 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.989 2.810 -1.233 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.385 4.478 -1.375 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.778 3.807 0.226 1.00 1.12 H new ATOM 904 N SER A 57 -19.756 7.633 2.003 1.00 0.84 N ATOM 905 CA SER A 57 -20.060 8.976 2.478 1.00 0.90 C ATOM 906 C SER A 57 -19.487 9.211 3.877 1.00 0.95 C ATOM 907 O SER A 57 -19.241 10.349 4.273 1.00 1.03 O ATOM 908 CB SER A 57 -21.573 9.181 2.488 1.00 0.93 C ATOM 909 OG SER A 57 -22.223 8.130 1.788 1.00 1.15 O ATOM 0 H SER A 57 -20.543 6.986 2.039 1.00 0.84 H new ATOM 0 HA SER A 57 -19.597 9.696 1.803 1.00 0.90 H new ATOM 0 HB2 SER A 57 -21.934 9.219 3.516 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.819 10.138 2.029 1.00 0.93 H new ATOM 0 HG SER A 57 -23.192 8.276 1.805 1.00 1.15 H new ATOM 915 N ASP A 58 -19.250 8.121 4.606 1.00 0.93 N ATOM 916 CA ASP A 58 -18.709 8.189 5.967 1.00 0.99 C ATOM 917 C ASP A 58 -17.345 8.870 5.994 1.00 0.99 C ATOM 918 O ASP A 58 -17.024 9.607 6.930 1.00 1.06 O ATOM 919 CB ASP A 58 -18.577 6.787 6.571 1.00 1.04 C ATOM 920 CG ASP A 58 -19.822 6.344 7.311 1.00 1.27 C ATOM 921 OD1 ASP A 58 -20.745 5.808 6.660 1.00 1.93 O ATOM 922 OD2 ASP A 58 -19.876 6.502 8.544 1.00 1.45 O ATOM 0 H ASP A 58 -19.425 7.172 4.275 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.410 8.779 6.558 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -18.360 6.074 5.776 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -17.729 6.770 7.255 1.00 1.04 H new ATOM 927 N TYR A 59 -16.544 8.621 4.965 1.00 0.95 N ATOM 928 CA TYR A 59 -15.212 9.208 4.877 1.00 0.97 C ATOM 929 C TYR A 59 -15.183 10.327 3.842 1.00 1.00 C ATOM 930 O TYR A 59 -14.110 10.811 3.480 1.00 1.06 O ATOM 931 CB TYR A 59 -14.176 8.137 4.509 1.00 0.94 C ATOM 932 CG TYR A 59 -14.126 6.959 5.458 1.00 0.89 C ATOM 933 CD1 TYR A 59 -14.919 5.839 5.244 1.00 0.87 C ATOM 934 CD2 TYR A 59 -13.274 6.961 6.555 1.00 0.91 C ATOM 935 CE1 TYR A 59 -14.868 4.755 6.099 1.00 0.88 C ATOM 936 CE2 TYR A 59 -13.215 5.879 7.413 1.00 0.91 C ATOM 937 CZ TYR A 59 -14.014 4.779 7.180 1.00 0.88 C ATOM 938 OH TYR A 59 -13.956 3.696 8.030 1.00 0.93 O ATOM 0 H TYR A 59 -16.793 8.018 4.181 1.00 0.95 H new ATOM 0 HA TYR A 59 -14.963 9.625 5.853 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -14.392 7.770 3.506 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.190 8.600 4.473 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -15.586 5.815 4.395 1.00 0.87 H new ATOM 0 HD2 TYR A 59 -12.648 7.821 6.740 1.00 0.91 H new ATOM 0 HE1 TYR A 59 -15.494 3.893 5.921 1.00 0.88 H new ATOM 0 HE2 TYR A 59 -12.547 5.895 8.261 1.00 0.91 H new ATOM 0 HH TYR A 59 -13.304 3.872 8.740 1.00 0.93 H new ATOM 948 N ASN A 60 -16.369 10.737 3.380 1.00 0.98 N ATOM 949 CA ASN A 60 -16.492 11.790 2.368 1.00 1.03 C ATOM 950 C ASN A 60 -15.655 11.433 1.140 1.00 1.00 C ATOM 951 O ASN A 60 -14.860 12.237 0.647 1.00 1.07 O ATOM 952 CB ASN A 60 -16.058 13.147 2.943 1.00 1.14 C ATOM 953 CG ASN A 60 -16.629 14.326 2.173 1.00 1.17 C ATOM 954 OD1 ASN A 60 -16.888 14.240 0.973 1.00 1.43 O ATOM 955 ND2 ASN A 60 -16.819 15.442 2.856 1.00 1.27 N ATOM 0 H ASN A 60 -17.261 10.353 3.693 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.537 11.869 2.069 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -16.374 13.212 3.984 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -14.970 13.208 2.936 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -17.192 16.269 2.389 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -16.593 15.476 3.850 1.00 1.27 H new ATOM 962 N ILE A 61 -15.838 10.211 0.661 1.00 0.92 N ATOM 963 CA ILE A 61 -15.098 9.717 -0.488 1.00 0.90 C ATOM 964 C ILE A 61 -15.704 10.223 -1.791 1.00 0.96 C ATOM 965 O ILE A 61 -16.912 10.122 -2.014 1.00 1.00 O ATOM 966 CB ILE A 61 -15.048 8.170 -0.500 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.430 7.657 0.803 1.00 0.81 C ATOM 968 CG2 ILE A 61 -14.257 7.667 -1.695 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.341 6.145 0.896 1.00 0.77 C ATOM 0 H ILE A 61 -16.498 9.540 1.055 1.00 0.92 H new ATOM 0 HA ILE A 61 -14.080 10.098 -0.404 1.00 0.90 H new ATOM 0 HB ILE A 61 -16.066 7.790 -0.582 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.429 8.076 0.907 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -15.019 8.027 1.642 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -14.234 6.577 -1.684 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.730 8.011 -2.615 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -13.238 8.051 -1.645 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.892 5.865 1.849 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.341 5.717 0.826 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.726 5.766 0.080 1.00 0.77 H new ATOM 981 N GLN A 62 -14.853 10.795 -2.632 1.00 1.01 N ATOM 982 CA GLN A 62 -15.269 11.309 -3.926 1.00 1.09 C ATOM 983 C GLN A 62 -14.931 10.292 -5.008 1.00 1.01 C ATOM 984 O GLN A 62 -14.249 9.301 -4.738 1.00 0.95 O ATOM 985 CB GLN A 62 -14.564 12.632 -4.227 1.00 1.21 C ATOM 986 CG GLN A 62 -14.942 13.763 -3.285 1.00 1.47 C ATOM 987 CD GLN A 62 -16.309 14.340 -3.589 1.00 1.79 C ATOM 988 OE1 GLN A 62 -17.311 13.949 -2.994 1.00 2.18 O ATOM 989 NE2 GLN A 62 -16.357 15.271 -4.529 1.00 2.18 N ATOM 0 H GLN A 62 -13.859 10.915 -2.436 1.00 1.01 H new ATOM 0 HA GLN A 62 -16.345 11.482 -3.907 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -13.486 12.477 -4.178 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -14.796 12.931 -5.249 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -14.926 13.397 -2.258 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -14.194 14.553 -3.353 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -15.501 15.567 -4.998 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -17.250 15.693 -4.784 1.00 2.18 H new ATOM 998 N LYS A 63 -15.387 10.540 -6.227 1.00 1.04 N ATOM 999 CA LYS A 63 -15.114 9.633 -7.333 1.00 1.05 C ATOM 1000 C LYS A 63 -13.628 9.683 -7.699 1.00 0.99 C ATOM 1001 O LYS A 63 -12.947 10.671 -7.406 1.00 1.00 O ATOM 1002 CB LYS A 63 -16.010 9.974 -8.538 1.00 1.19 C ATOM 1003 CG LYS A 63 -15.338 10.794 -9.634 1.00 1.25 C ATOM 1004 CD LYS A 63 -15.138 12.248 -9.229 1.00 1.54 C ATOM 1005 CE LYS A 63 -14.485 13.039 -10.352 1.00 1.61 C ATOM 1006 NZ LYS A 63 -13.756 14.236 -9.852 1.00 2.42 N ATOM 0 H LYS A 63 -15.945 11.357 -6.475 1.00 1.04 H new ATOM 0 HA LYS A 63 -15.348 8.613 -7.028 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -16.375 9.044 -8.974 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.882 10.521 -8.179 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -14.372 10.351 -9.876 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -15.944 10.752 -10.539 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -16.099 12.695 -8.975 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -14.517 12.298 -8.334 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -13.792 12.394 -10.892 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -15.249 13.353 -11.064 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -13.328 14.742 -10.654 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -14.420 14.866 -9.359 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -13.009 13.937 -9.193 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.129 8.606 -8.306 1.00 1.01 N ATOM 1021 CA GLU A 64 -11.720 8.515 -8.707 1.00 1.02 C ATOM 1022 C GLU A 64 -10.803 8.580 -7.487 1.00 0.93 C ATOM 1023 O GLU A 64 -9.727 9.177 -7.537 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.354 9.634 -9.689 1.00 1.16 C ATOM 1025 CG GLU A 64 -11.983 9.478 -11.061 1.00 1.41 C ATOM 1026 CD GLU A 64 -11.596 10.598 -11.998 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.221 11.672 -11.937 1.00 1.50 O ATOM 1028 OE2 GLU A 64 -10.666 10.408 -12.805 1.00 2.13 O ATOM 0 H GLU A 64 -13.681 7.779 -8.533 1.00 1.01 H new ATOM 0 HA GLU A 64 -11.581 7.555 -9.203 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.661 10.590 -9.266 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.270 9.668 -9.799 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -11.678 8.524 -11.492 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -13.068 9.450 -10.960 1.00 1.41 H new ATOM 1035 N SER A 65 -11.241 7.976 -6.393 1.00 0.88 N ATOM 1036 CA SER A 65 -10.473 7.966 -5.160 1.00 0.92 C ATOM 1037 C SER A 65 -9.354 6.933 -5.228 1.00 0.80 C ATOM 1038 O SER A 65 -9.519 5.872 -5.833 1.00 0.74 O ATOM 1039 CB SER A 65 -11.405 7.660 -3.997 1.00 1.08 C ATOM 1040 OG SER A 65 -12.649 7.174 -4.477 1.00 1.07 O ATOM 0 H SER A 65 -12.132 7.483 -6.336 1.00 0.88 H new ATOM 0 HA SER A 65 -10.016 8.945 -5.015 1.00 0.92 H new ATOM 0 HB2 SER A 65 -10.947 6.921 -3.340 1.00 1.08 H new ATOM 0 HB3 SER A 65 -11.563 8.560 -3.403 1.00 1.08 H new ATOM 0 HG SER A 65 -13.325 7.880 -4.407 1.00 1.07 H new ATOM 1046 N THR A 66 -8.224 7.244 -4.605 1.00 0.82 N ATOM 1047 CA THR A 66 -7.084 6.344 -4.603 1.00 0.77 C ATOM 1048 C THR A 66 -7.068 5.469 -3.353 1.00 0.67 C ATOM 1049 O THR A 66 -6.531 5.854 -2.312 1.00 0.72 O ATOM 1050 CB THR A 66 -5.755 7.116 -4.693 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.862 8.170 -5.660 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.623 6.180 -5.082 1.00 1.37 C ATOM 0 H THR A 66 -8.075 8.115 -4.095 1.00 0.82 H new ATOM 0 HA THR A 66 -7.187 5.709 -5.483 1.00 0.77 H new ATOM 0 HB THR A 66 -5.539 7.545 -3.715 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.540 9.008 -5.267 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.691 6.742 -5.141 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.527 5.395 -4.332 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.839 5.732 -6.052 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.667 4.294 -3.458 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.702 3.357 -2.348 1.00 0.54 C ATOM 1062 C LEU A 67 -6.439 2.511 -2.358 1.00 0.48 C ATOM 1063 O LEU A 67 -5.806 2.345 -3.400 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.936 2.455 -2.434 1.00 0.53 C ATOM 1065 CG LEU A 67 -10.164 2.939 -1.661 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.817 4.118 -2.366 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -11.159 1.800 -1.491 1.00 0.77 C ATOM 0 H LEU A 67 -8.136 3.966 -4.302 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.757 3.921 -1.417 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -9.210 2.344 -3.483 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.666 1.464 -2.068 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.841 3.272 -0.675 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.688 4.445 -1.798 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -10.103 4.938 -2.440 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -11.128 3.817 -3.366 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -12.029 2.156 -0.939 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.473 1.442 -2.471 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.689 0.985 -0.940 1.00 0.77 H new ATOM 1079 N HIS A 68 -6.058 1.990 -1.205 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.861 1.167 -1.110 1.00 0.49 C ATOM 1081 C HIS A 68 -5.168 -0.166 -0.444 1.00 0.46 C ATOM 1082 O HIS A 68 -5.592 -0.210 0.708 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.767 1.903 -0.329 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.977 2.870 -1.161 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.685 2.623 -1.577 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -3.299 4.093 -1.647 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.247 3.651 -2.280 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -2.205 4.552 -2.338 1.00 2.11 N ATOM 0 H HIS A 68 -6.556 2.120 -0.324 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.505 0.973 -2.122 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.225 2.441 0.501 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.086 1.170 0.104 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -4.239 4.609 -1.516 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.269 3.738 -2.731 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -2.144 5.449 -2.820 1.00 2.11 H new ATOM 1097 N LEU A 69 -4.961 -1.249 -1.181 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.203 -2.587 -0.656 1.00 0.44 C ATOM 1099 C LEU A 69 -3.903 -3.177 -0.122 1.00 0.49 C ATOM 1100 O LEU A 69 -3.022 -3.567 -0.890 1.00 0.52 O ATOM 1101 CB LEU A 69 -5.802 -3.495 -1.739 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.028 -4.955 -1.325 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -6.822 -5.034 -0.028 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -6.744 -5.714 -2.433 1.00 0.64 C ATOM 0 H LEU A 69 -4.626 -1.228 -2.144 1.00 0.44 H new ATOM 0 HA LEU A 69 -5.921 -2.518 0.161 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.756 -3.073 -2.055 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.143 -3.479 -2.607 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.055 -5.417 -1.157 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -6.970 -6.079 0.245 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.274 -4.525 0.765 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -7.791 -4.554 -0.165 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -6.897 -6.748 -2.125 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.709 -5.247 -2.629 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.139 -5.691 -3.339 1.00 0.64 H new ATOM 1116 N VAL A 70 -3.784 -3.221 1.194 1.00 0.56 N ATOM 1117 CA VAL A 70 -2.592 -3.748 1.838 1.00 0.66 C ATOM 1118 C VAL A 70 -2.932 -4.992 2.651 1.00 0.74 C ATOM 1119 O VAL A 70 -3.936 -5.023 3.357 1.00 0.92 O ATOM 1120 CB VAL A 70 -1.943 -2.696 2.764 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -0.680 -3.244 3.413 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -1.641 -1.420 1.995 1.00 0.97 C ATOM 0 H VAL A 70 -4.503 -2.896 1.841 1.00 0.56 H new ATOM 0 HA VAL A 70 -1.883 -4.007 1.052 1.00 0.66 H new ATOM 0 HB VAL A 70 -2.653 -2.460 3.557 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.244 -2.483 4.060 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -0.928 -4.125 4.005 1.00 0.99 H new ATOM 0 HG13 VAL A 70 0.037 -3.518 2.639 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.184 -0.691 2.665 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -0.955 -1.642 1.177 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -2.567 -1.011 1.591 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.098 -6.015 2.536 1.00 0.77 N ATOM 1133 CA LEU A 71 -2.311 -7.257 3.266 1.00 0.87 C ATOM 1134 C LEU A 71 -2.154 -7.032 4.769 1.00 0.90 C ATOM 1135 O LEU A 71 -1.352 -6.200 5.203 1.00 1.01 O ATOM 1136 CB LEU A 71 -1.325 -8.327 2.787 1.00 0.95 C ATOM 1137 CG LEU A 71 -1.467 -8.736 1.319 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -0.295 -9.609 0.899 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -2.784 -9.467 1.096 1.00 1.52 C ATOM 0 H LEU A 71 -1.267 -6.010 1.944 1.00 0.77 H new ATOM 0 HA LEU A 71 -3.327 -7.600 3.073 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -0.311 -7.962 2.949 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -1.447 -9.214 3.408 1.00 0.95 H new ATOM 0 HG LEU A 71 -1.465 -7.835 0.705 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -0.409 -9.893 -0.147 1.00 1.26 H new ATOM 0 HD12 LEU A 71 0.635 -9.055 1.025 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -0.270 -10.506 1.517 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -2.869 -9.751 0.047 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -2.813 -10.362 1.718 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -3.613 -8.812 1.363 1.00 1.52 H new ATOM 1151 N ARG A 72 -2.931 -7.768 5.552 1.00 0.98 N ATOM 1152 CA ARG A 72 -2.888 -7.657 7.005 1.00 1.06 C ATOM 1153 C ARG A 72 -1.529 -8.098 7.551 1.00 0.98 C ATOM 1154 O ARG A 72 -0.777 -8.808 6.880 1.00 0.98 O ATOM 1155 CB ARG A 72 -4.002 -8.503 7.631 1.00 1.26 C ATOM 1156 CG ARG A 72 -3.863 -9.993 7.359 1.00 1.27 C ATOM 1157 CD ARG A 72 -5.000 -10.787 7.981 1.00 1.51 C ATOM 1158 NE ARG A 72 -4.850 -12.225 7.758 1.00 1.92 N ATOM 1159 CZ ARG A 72 -5.840 -13.109 7.900 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -7.055 -12.702 8.248 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -5.605 -14.402 7.704 1.00 2.72 N ATOM 0 H ARG A 72 -3.602 -8.452 5.203 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.039 -6.610 7.269 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.010 -8.338 8.708 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -4.964 -8.161 7.250 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.844 -10.166 6.283 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -2.912 -10.348 7.756 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -5.038 -10.588 9.052 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -5.948 -10.452 7.561 1.00 1.51 H new ATOM 0 HE ARG A 72 -3.933 -12.573 7.477 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -7.234 -11.711 8.408 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -7.809 -13.381 8.355 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -4.670 -14.717 7.446 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -6.360 -15.080 7.812 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.209 -7.661 8.756 1.00 1.04 N ATOM 1176 CA LEU A 73 0.053 -8.015 9.388 1.00 1.05 C ATOM 1177 C LEU A 73 -0.174 -9.029 10.500 1.00 1.17 C ATOM 1178 O LEU A 73 0.530 -10.034 10.589 1.00 1.27 O ATOM 1179 CB LEU A 73 0.741 -6.768 9.947 1.00 1.16 C ATOM 1180 CG LEU A 73 2.097 -7.022 10.610 1.00 1.25 C ATOM 1181 CD1 LEU A 73 3.092 -7.573 9.600 1.00 1.23 C ATOM 1182 CD2 LEU A 73 2.626 -5.745 11.240 1.00 1.44 C ATOM 0 H LEU A 73 -1.808 -7.058 9.320 1.00 1.04 H new ATOM 0 HA LEU A 73 0.700 -8.462 8.633 1.00 1.05 H new ATOM 0 HB2 LEU A 73 0.878 -6.052 9.136 1.00 1.16 H new ATOM 0 HB3 LEU A 73 0.078 -6.301 10.676 1.00 1.16 H new ATOM 0 HG LEU A 73 1.963 -7.765 11.396 1.00 1.25 H new ATOM 0 HD11 LEU A 73 4.050 -7.747 10.090 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.716 -8.512 9.194 1.00 1.23 H new ATOM 0 HD13 LEU A 73 3.224 -6.855 8.790 1.00 1.23 H new ATOM 0 HD21 LEU A 73 3.591 -5.942 11.707 1.00 1.44 H new ATOM 0 HD22 LEU A 73 2.745 -4.982 10.471 1.00 1.44 H new ATOM 0 HD23 LEU A 73 1.923 -5.393 11.995 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.167 -8.768 11.334 1.00 1.29 N ATOM 1195 CA ARG A 74 -1.483 -9.650 12.444 1.00 1.48 C ATOM 1196 C ARG A 74 -2.914 -10.151 12.343 1.00 1.52 C ATOM 1197 O ARG A 74 -3.826 -9.390 12.021 1.00 1.42 O ATOM 1198 CB ARG A 74 -1.282 -8.925 13.773 1.00 1.65 C ATOM 1199 CG ARG A 74 0.165 -8.583 14.069 1.00 1.66 C ATOM 1200 CD ARG A 74 0.288 -7.776 15.347 1.00 1.87 C ATOM 1201 NE ARG A 74 1.678 -7.624 15.776 1.00 2.02 N ATOM 1202 CZ ARG A 74 2.045 -6.967 16.873 1.00 2.49 C ATOM 1203 NH1 ARG A 74 1.125 -6.386 17.637 1.00 3.05 N ATOM 1204 NH2 ARG A 74 3.330 -6.890 17.205 1.00 2.67 N ATOM 0 H ARG A 74 -1.770 -7.949 11.262 1.00 1.29 H new ATOM 0 HA ARG A 74 -0.809 -10.506 12.399 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -1.869 -8.007 13.768 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -1.671 -9.548 14.579 1.00 1.65 H new ATOM 0 HG2 ARG A 74 0.747 -9.500 14.158 1.00 1.66 H new ATOM 0 HG3 ARG A 74 0.585 -8.018 13.237 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -0.153 -6.791 15.196 1.00 1.87 H new ATOM 0 HD3 ARG A 74 -0.283 -8.263 16.138 1.00 1.87 H new ATOM 0 HE ARG A 74 2.408 -8.046 15.201 1.00 2.02 H new ATOM 0 HH11 ARG A 74 0.139 -6.444 17.382 1.00 3.05 H new ATOM 0 HH12 ARG A 74 1.405 -5.882 18.478 1.00 3.05 H new ATOM 0 HH21 ARG A 74 4.036 -7.335 16.618 1.00 2.67 H new ATOM 0 HH22 ARG A 74 3.610 -6.386 18.046 1.00 2.67 H new ATOM 1319 N GLY B 55 20.186 -2.148 -11.753 1.00 1.77 N ATOM 1320 CA GLY B 55 18.913 -1.910 -11.096 1.00 1.76 C ATOM 1321 C GLY B 55 18.895 -0.656 -10.245 1.00 1.40 C ATOM 1322 O GLY B 55 18.010 -0.488 -9.413 1.00 1.29 O ATOM 0 HA2 GLY B 55 18.131 -1.837 -11.852 1.00 1.76 H new ATOM 0 HA3 GLY B 55 18.671 -2.768 -10.469 1.00 1.76 H new ATOM 1326 N LYS B 56 19.860 0.230 -10.449 1.00 1.43 N ATOM 1327 CA LYS B 56 19.918 1.463 -9.676 1.00 1.15 C ATOM 1328 C LYS B 56 18.905 2.471 -10.206 1.00 1.13 C ATOM 1329 O LYS B 56 19.163 3.177 -11.183 1.00 1.19 O ATOM 1330 CB LYS B 56 21.325 2.057 -9.706 1.00 1.16 C ATOM 1331 CG LYS B 56 22.363 1.219 -8.971 1.00 1.14 C ATOM 1332 CD LYS B 56 22.025 1.047 -7.500 1.00 1.03 C ATOM 1333 CE LYS B 56 23.210 0.502 -6.716 1.00 1.13 C ATOM 1334 NZ LYS B 56 22.853 0.191 -5.307 1.00 1.04 N ATOM 0 H LYS B 56 20.606 0.120 -11.136 1.00 1.43 H new ATOM 0 HA LYS B 56 19.668 1.228 -8.641 1.00 1.15 H new ATOM 0 HB2 LYS B 56 21.637 2.176 -10.744 1.00 1.16 H new ATOM 0 HB3 LYS B 56 21.298 3.053 -9.265 1.00 1.16 H new ATOM 0 HG2 LYS B 56 22.436 0.239 -9.442 1.00 1.14 H new ATOM 0 HG3 LYS B 56 23.341 1.691 -9.064 1.00 1.14 H new ATOM 0 HD2 LYS B 56 21.720 2.006 -7.081 1.00 1.03 H new ATOM 0 HD3 LYS B 56 21.177 0.370 -7.397 1.00 1.03 H new ATOM 0 HE2 LYS B 56 23.582 -0.400 -7.203 1.00 1.13 H new ATOM 0 HE3 LYS B 56 24.021 1.231 -6.732 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.577 -0.431 -4.895 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 22.802 1.073 -4.759 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 21.930 -0.287 -5.280 1.00 1.04 H new ATOM 1348 N VAL B 57 17.754 2.526 -9.556 1.00 1.12 N ATOM 1349 CA VAL B 57 16.690 3.431 -9.960 1.00 1.13 C ATOM 1350 C VAL B 57 16.945 4.838 -9.431 1.00 1.07 C ATOM 1351 O VAL B 57 17.341 5.019 -8.278 1.00 0.99 O ATOM 1352 CB VAL B 57 15.312 2.945 -9.462 1.00 1.11 C ATOM 1353 CG1 VAL B 57 14.197 3.559 -10.295 1.00 1.23 C ATOM 1354 CG2 VAL B 57 15.223 1.425 -9.484 1.00 1.15 C ATOM 0 H VAL B 57 17.532 1.952 -8.743 1.00 1.12 H new ATOM 0 HA VAL B 57 16.683 3.448 -11.050 1.00 1.13 H new ATOM 0 HB VAL B 57 15.194 3.272 -8.429 1.00 1.11 H new ATOM 0 HG11 VAL B 57 13.233 3.205 -9.930 1.00 1.23 H new ATOM 0 HG12 VAL B 57 14.239 4.645 -10.215 1.00 1.23 H new ATOM 0 HG13 VAL B 57 14.319 3.267 -11.338 1.00 1.23 H new ATOM 0 HG21 VAL B 57 14.241 1.113 -9.128 1.00 1.15 H new ATOM 0 HG22 VAL B 57 15.370 1.067 -10.503 1.00 1.15 H new ATOM 0 HG23 VAL B 57 15.994 1.006 -8.837 1.00 1.15 H new ATOM 1364 N LEU B 58 16.715 5.827 -10.285 1.00 1.14 N ATOM 1365 CA LEU B 58 16.916 7.222 -9.923 1.00 1.13 C ATOM 1366 C LEU B 58 15.641 7.815 -9.335 1.00 1.12 C ATOM 1367 O LEU B 58 14.635 7.971 -10.033 1.00 1.20 O ATOM 1368 CB LEU B 58 17.345 8.029 -11.151 1.00 1.28 C ATOM 1369 CG LEU B 58 17.531 9.529 -10.913 1.00 1.36 C ATOM 1370 CD1 LEU B 58 18.850 9.806 -10.212 1.00 1.29 C ATOM 1371 CD2 LEU B 58 17.457 10.286 -12.228 1.00 1.76 C ATOM 0 H LEU B 58 16.387 5.686 -11.240 1.00 1.14 H new ATOM 0 HA LEU B 58 17.702 7.270 -9.170 1.00 1.13 H new ATOM 0 HB2 LEU B 58 18.282 7.618 -11.527 1.00 1.28 H new ATOM 0 HB3 LEU B 58 16.600 7.891 -11.935 1.00 1.28 H new ATOM 0 HG LEU B 58 16.725 9.875 -10.266 1.00 1.36 H new ATOM 0 HD11 LEU B 58 18.960 10.879 -10.054 1.00 1.29 H new ATOM 0 HD12 LEU B 58 18.865 9.294 -9.250 1.00 1.29 H new ATOM 0 HD13 LEU B 58 19.673 9.444 -10.829 1.00 1.29 H new ATOM 0 HD21 LEU B 58 17.591 11.352 -12.042 1.00 1.76 H new ATOM 0 HD22 LEU B 58 18.242 9.932 -12.896 1.00 1.76 H new ATOM 0 HD23 LEU B 58 16.484 10.118 -12.690 1.00 1.76 H new ATOM 1383 N TYR B 59 15.690 8.145 -8.056 1.00 1.06 N ATOM 1384 CA TYR B 59 14.552 8.733 -7.370 1.00 1.06 C ATOM 1385 C TYR B 59 14.892 10.161 -6.954 1.00 1.09 C ATOM 1386 O TYR B 59 15.892 10.392 -6.268 1.00 1.06 O ATOM 1387 CB TYR B 59 14.149 7.885 -6.147 1.00 0.97 C ATOM 1388 CG TYR B 59 15.138 7.916 -4.997 1.00 0.89 C ATOM 1389 CD1 TYR B 59 16.328 7.199 -5.053 1.00 1.03 C ATOM 1390 CD2 TYR B 59 14.882 8.668 -3.855 1.00 1.03 C ATOM 1391 CE1 TYR B 59 17.230 7.231 -4.009 1.00 1.28 C ATOM 1392 CE2 TYR B 59 15.782 8.702 -2.806 1.00 1.27 C ATOM 1393 CZ TYR B 59 16.955 7.982 -2.889 1.00 1.38 C ATOM 1394 OH TYR B 59 17.857 8.015 -1.851 1.00 1.77 O ATOM 0 H TYR B 59 16.513 8.014 -7.467 1.00 1.06 H new ATOM 0 HA TYR B 59 13.700 8.754 -8.049 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.181 8.232 -5.785 1.00 0.97 H new ATOM 0 HB3 TYR B 59 14.017 6.851 -6.467 1.00 0.97 H new ATOM 0 HD1 TYR B 59 16.550 6.607 -5.928 1.00 1.03 H new ATOM 0 HD2 TYR B 59 13.965 9.235 -3.787 1.00 1.03 H new ATOM 0 HE1 TYR B 59 18.150 6.668 -4.071 1.00 1.28 H new ATOM 0 HE2 TYR B 59 15.567 9.290 -1.926 1.00 1.27 H new ATOM 0 HH TYR B 59 18.335 7.161 -1.806 1.00 1.77 H new ATOM 1404 N GLU B 60 14.067 11.112 -7.393 1.00 1.18 N ATOM 1405 CA GLU B 60 14.254 12.537 -7.087 1.00 1.24 C ATOM 1406 C GLU B 60 15.548 13.080 -7.696 1.00 1.34 C ATOM 1407 O GLU B 60 15.525 13.791 -8.700 1.00 1.90 O ATOM 1408 CB GLU B 60 14.242 12.774 -5.573 1.00 1.13 C ATOM 1409 CG GLU B 60 12.868 12.617 -4.947 1.00 1.09 C ATOM 1410 CD GLU B 60 11.881 13.643 -5.467 1.00 1.49 C ATOM 1411 OE1 GLU B 60 11.209 13.370 -6.487 1.00 1.66 O ATOM 1412 OE2 GLU B 60 11.780 14.733 -4.866 1.00 2.02 O ATOM 0 H GLU B 60 13.249 10.920 -7.971 1.00 1.18 H new ATOM 0 HA GLU B 60 13.420 13.077 -7.535 1.00 1.24 H new ATOM 0 HB2 GLU B 60 14.931 12.075 -5.098 1.00 1.13 H new ATOM 0 HB3 GLU B 60 14.614 13.778 -5.367 1.00 1.13 H new ATOM 0 HG2 GLU B 60 12.490 11.615 -5.152 1.00 1.09 H new ATOM 0 HG3 GLU B 60 12.951 12.711 -3.864 1.00 1.09 H new ATOM 1419 N GLY B 61 16.667 12.742 -7.075 1.00 1.27 N ATOM 1420 CA GLY B 61 17.961 13.182 -7.546 1.00 1.32 C ATOM 1421 C GLY B 61 19.067 12.288 -7.028 1.00 1.22 C ATOM 1422 O GLY B 61 20.218 12.704 -6.918 1.00 1.33 O ATOM 0 H GLY B 61 16.700 12.160 -6.238 1.00 1.27 H new ATOM 0 HA2 GLY B 61 17.972 13.184 -8.636 1.00 1.32 H new ATOM 0 HA3 GLY B 61 18.138 14.208 -7.223 1.00 1.32 H new ATOM 1426 N LYS B 62 18.702 11.056 -6.697 1.00 1.08 N ATOM 1427 CA LYS B 62 19.652 10.078 -6.181 1.00 1.02 C ATOM 1428 C LYS B 62 19.297 8.694 -6.717 1.00 1.00 C ATOM 1429 O LYS B 62 18.190 8.487 -7.207 1.00 1.00 O ATOM 1430 CB LYS B 62 19.632 10.083 -4.650 1.00 0.92 C ATOM 1431 CG LYS B 62 20.900 9.542 -4.014 1.00 0.90 C ATOM 1432 CD LYS B 62 20.856 9.661 -2.501 1.00 0.94 C ATOM 1433 CE LYS B 62 22.196 9.318 -1.882 1.00 1.30 C ATOM 1434 NZ LYS B 62 22.199 9.538 -0.411 1.00 1.59 N ATOM 0 H LYS B 62 17.747 10.708 -6.778 1.00 1.08 H new ATOM 0 HA LYS B 62 20.657 10.339 -6.511 1.00 1.02 H new ATOM 0 HB2 LYS B 62 19.470 11.103 -4.302 1.00 0.92 H new ATOM 0 HB3 LYS B 62 18.784 9.491 -4.306 1.00 0.92 H new ATOM 0 HG2 LYS B 62 21.032 8.497 -4.294 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.762 10.087 -4.398 1.00 0.90 H new ATOM 0 HD2 LYS B 62 20.573 10.676 -2.222 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.089 8.996 -2.104 1.00 0.94 H new ATOM 0 HE2 LYS B 62 22.438 8.277 -2.094 1.00 1.30 H new ATOM 0 HE3 LYS B 62 22.975 9.926 -2.342 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 23.133 9.292 -0.025 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 21.993 10.537 -0.209 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 21.473 8.939 0.031 1.00 1.59 H new ATOM 1448 N GLU B 63 20.228 7.758 -6.634 1.00 1.03 N ATOM 1449 CA GLU B 63 19.991 6.405 -7.126 1.00 1.06 C ATOM 1450 C GLU B 63 20.036 5.404 -5.980 1.00 0.95 C ATOM 1451 O GLU B 63 20.771 5.595 -5.011 1.00 0.93 O ATOM 1452 CB GLU B 63 21.031 6.039 -8.185 1.00 1.22 C ATOM 1453 CG GLU B 63 21.038 6.989 -9.370 1.00 1.48 C ATOM 1454 CD GLU B 63 22.308 6.895 -10.187 1.00 1.64 C ATOM 1455 OE1 GLU B 63 23.365 7.359 -9.705 1.00 1.90 O ATOM 1456 OE2 GLU B 63 22.261 6.366 -11.314 1.00 2.14 O ATOM 0 H GLU B 63 21.154 7.907 -6.232 1.00 1.03 H new ATOM 0 HA GLU B 63 19.000 6.371 -7.578 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.020 6.033 -7.727 1.00 1.22 H new ATOM 0 HB3 GLU B 63 20.838 5.027 -8.540 1.00 1.22 H new ATOM 0 HG2 GLU B 63 20.183 6.772 -10.010 1.00 1.48 H new ATOM 0 HG3 GLU B 63 20.916 8.011 -9.012 1.00 1.48 H new ATOM 1463 N PHE B 64 19.235 4.356 -6.088 1.00 0.93 N ATOM 1464 CA PHE B 64 19.181 3.316 -5.067 1.00 0.85 C ATOM 1465 C PHE B 64 18.791 1.982 -5.691 1.00 0.91 C ATOM 1466 O PHE B 64 18.493 1.919 -6.883 1.00 1.02 O ATOM 1467 CB PHE B 64 18.182 3.692 -3.975 1.00 0.74 C ATOM 1468 CG PHE B 64 18.757 3.635 -2.586 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.435 4.721 -2.056 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.619 2.493 -1.812 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.964 4.670 -0.780 1.00 0.82 C ATOM 1472 CE2 PHE B 64 19.148 2.437 -0.535 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.819 3.526 -0.019 1.00 0.77 C ATOM 0 H PHE B 64 18.608 4.201 -6.878 1.00 0.93 H new ATOM 0 HA PHE B 64 20.171 3.221 -4.620 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.812 4.699 -4.165 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.325 3.021 -4.032 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.551 5.618 -2.647 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.093 1.638 -2.210 1.00 0.65 H new ATOM 0 HE1 PHE B 64 20.490 5.523 -0.378 1.00 0.82 H new ATOM 0 HE2 PHE B 64 19.036 1.541 0.058 1.00 0.68 H new ATOM 0 HZ PHE B 64 20.231 3.485 0.979 1.00 0.77 H new ATOM 1483 N ASP B 65 18.780 0.928 -4.877 1.00 0.87 N ATOM 1484 CA ASP B 65 18.434 -0.413 -5.353 1.00 0.94 C ATOM 1485 C ASP B 65 16.965 -0.501 -5.750 1.00 1.03 C ATOM 1486 O ASP B 65 16.635 -0.582 -6.930 1.00 1.18 O ATOM 1487 CB ASP B 65 18.739 -1.468 -4.280 1.00 0.88 C ATOM 1488 CG ASP B 65 20.196 -1.889 -4.261 1.00 0.84 C ATOM 1489 OD1 ASP B 65 20.917 -1.616 -5.242 1.00 1.13 O ATOM 1490 OD2 ASP B 65 20.628 -2.493 -3.259 1.00 1.39 O ATOM 0 H ASP B 65 19.007 0.975 -3.884 1.00 0.87 H new ATOM 0 HA ASP B 65 19.044 -0.610 -6.234 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.468 -1.072 -3.301 1.00 0.88 H new ATOM 0 HB3 ASP B 65 18.115 -2.345 -4.453 1.00 0.88 H new ATOM 1495 N TYR B 66 16.082 -0.481 -4.763 1.00 0.99 N ATOM 1496 CA TYR B 66 14.653 -0.570 -5.027 1.00 1.12 C ATOM 1497 C TYR B 66 13.929 0.638 -4.456 1.00 0.95 C ATOM 1498 O TYR B 66 14.005 0.905 -3.259 1.00 0.88 O ATOM 1499 CB TYR B 66 14.076 -1.855 -4.423 1.00 1.31 C ATOM 1500 CG TYR B 66 14.726 -3.123 -4.930 1.00 1.57 C ATOM 1501 CD1 TYR B 66 14.401 -3.647 -6.174 1.00 1.79 C ATOM 1502 CD2 TYR B 66 15.662 -3.800 -4.157 1.00 1.64 C ATOM 1503 CE1 TYR B 66 14.990 -4.807 -6.635 1.00 2.05 C ATOM 1504 CE2 TYR B 66 16.256 -4.960 -4.610 1.00 1.89 C ATOM 1505 CZ TYR B 66 15.916 -5.459 -5.850 1.00 2.08 C ATOM 1506 OH TYR B 66 16.500 -6.617 -6.303 1.00 2.34 O ATOM 0 H TYR B 66 16.328 -0.404 -3.776 1.00 0.99 H new ATOM 0 HA TYR B 66 14.507 -0.590 -6.107 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.182 -1.814 -3.339 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.008 -1.896 -4.637 1.00 1.31 H new ATOM 0 HD1 TYR B 66 13.675 -3.138 -6.791 1.00 1.79 H new ATOM 0 HD2 TYR B 66 15.929 -3.411 -3.185 1.00 1.64 H new ATOM 0 HE1 TYR B 66 14.727 -5.201 -7.605 1.00 2.05 H new ATOM 0 HE2 TYR B 66 16.982 -5.474 -3.998 1.00 1.89 H new ATOM 0 HH TYR B 66 17.130 -6.950 -5.631 1.00 2.34 H new ATOM 1516 N VAL B 67 13.241 1.378 -5.312 1.00 0.97 N ATOM 1517 CA VAL B 67 12.502 2.553 -4.873 1.00 0.85 C ATOM 1518 C VAL B 67 11.011 2.377 -5.139 1.00 0.86 C ATOM 1519 O VAL B 67 10.606 1.904 -6.203 1.00 1.09 O ATOM 1520 CB VAL B 67 13.008 3.853 -5.543 1.00 0.87 C ATOM 1521 CG1 VAL B 67 14.484 4.071 -5.239 1.00 0.85 C ATOM 1522 CG2 VAL B 67 12.767 3.834 -7.045 1.00 1.05 C ATOM 0 H VAL B 67 13.179 1.187 -6.312 1.00 0.97 H new ATOM 0 HA VAL B 67 12.671 2.650 -3.801 1.00 0.85 H new ATOM 0 HB VAL B 67 12.440 4.685 -5.127 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.822 4.990 -5.718 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.626 4.151 -4.161 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.062 3.229 -5.620 1.00 0.85 H new ATOM 0 HG21 VAL B 67 13.134 4.762 -7.484 1.00 1.05 H new ATOM 0 HG22 VAL B 67 13.295 2.989 -7.488 1.00 1.05 H new ATOM 0 HG23 VAL B 67 11.699 3.737 -7.241 1.00 1.05 H new ATOM 1532 N PHE B 68 10.200 2.733 -4.159 1.00 0.75 N ATOM 1533 CA PHE B 68 8.758 2.609 -4.282 1.00 0.79 C ATOM 1534 C PHE B 68 8.093 3.980 -4.278 1.00 0.81 C ATOM 1535 O PHE B 68 8.406 4.828 -3.439 1.00 0.77 O ATOM 1536 CB PHE B 68 8.211 1.749 -3.137 1.00 0.78 C ATOM 1537 CG PHE B 68 6.709 1.616 -3.121 1.00 1.42 C ATOM 1538 CD1 PHE B 68 6.022 1.177 -4.243 1.00 1.76 C ATOM 1539 CD2 PHE B 68 5.987 1.930 -1.979 1.00 2.40 C ATOM 1540 CE1 PHE B 68 4.645 1.058 -4.226 1.00 2.77 C ATOM 1541 CE2 PHE B 68 4.611 1.811 -1.959 1.00 3.40 C ATOM 1542 CZ PHE B 68 3.941 1.375 -3.084 1.00 3.53 C ATOM 0 H PHE B 68 10.516 3.112 -3.266 1.00 0.75 H new ATOM 0 HA PHE B 68 8.531 2.126 -5.232 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.651 0.754 -3.204 1.00 0.78 H new ATOM 0 HB3 PHE B 68 8.536 2.178 -2.189 1.00 0.78 H new ATOM 0 HD1 PHE B 68 6.569 0.925 -5.140 1.00 1.76 H new ATOM 0 HD2 PHE B 68 6.506 2.271 -1.096 1.00 2.40 H new ATOM 0 HE1 PHE B 68 4.121 0.717 -5.107 1.00 2.77 H new ATOM 0 HE2 PHE B 68 4.060 2.059 -1.064 1.00 3.40 H new ATOM 0 HZ PHE B 68 2.865 1.282 -3.070 1.00 3.53 H new ATOM 1552 N SER B 69 7.187 4.193 -5.224 1.00 0.93 N ATOM 1553 CA SER B 69 6.463 5.450 -5.319 1.00 0.99 C ATOM 1554 C SER B 69 5.238 5.417 -4.412 1.00 1.07 C ATOM 1555 O SER B 69 4.254 4.738 -4.702 1.00 1.23 O ATOM 1556 CB SER B 69 6.052 5.718 -6.766 1.00 1.13 C ATOM 1557 OG SER B 69 7.187 5.780 -7.611 1.00 1.37 O ATOM 0 H SER B 69 6.937 3.508 -5.937 1.00 0.93 H new ATOM 0 HA SER B 69 7.117 6.259 -4.993 1.00 0.99 H new ATOM 0 HB2 SER B 69 5.381 4.931 -7.109 1.00 1.13 H new ATOM 0 HB3 SER B 69 5.499 6.656 -6.823 1.00 1.13 H new ATOM 0 HG SER B 69 6.898 5.790 -8.547 1.00 1.37 H new ATOM 1563 N ILE B 70 5.317 6.143 -3.314 1.00 1.01 N ATOM 1564 CA ILE B 70 4.232 6.192 -2.351 1.00 1.12 C ATOM 1565 C ILE B 70 3.318 7.378 -2.625 1.00 1.08 C ATOM 1566 O ILE B 70 3.752 8.534 -2.585 1.00 1.10 O ATOM 1567 CB ILE B 70 4.767 6.300 -0.909 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.885 5.283 -0.674 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.640 6.095 0.093 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.755 5.610 0.520 1.00 1.62 C ATOM 0 H ILE B 70 6.127 6.711 -3.065 1.00 1.01 H new ATOM 0 HA ILE B 70 3.670 5.264 -2.455 1.00 1.12 H new ATOM 0 HB ILE B 70 5.177 7.300 -0.767 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.444 4.296 -0.533 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.510 5.229 -1.565 1.00 1.41 H new ATOM 0 HG21 ILE B 70 4.035 6.174 1.106 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.875 6.856 -0.059 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.202 5.107 -0.049 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.527 4.848 0.628 1.00 1.62 H new ATOM 0 HD12 ILE B 70 7.224 6.583 0.373 1.00 1.62 H new ATOM 0 HD13 ILE B 70 6.142 5.635 1.421 1.00 1.62 H new ATOM 1582 N ASP B 71 2.064 7.085 -2.919 1.00 1.20 N ATOM 1583 CA ASP B 71 1.078 8.123 -3.178 1.00 1.30 C ATOM 1584 C ASP B 71 0.167 8.267 -1.968 1.00 1.30 C ATOM 1585 O ASP B 71 -0.212 7.275 -1.341 1.00 1.46 O ATOM 1586 CB ASP B 71 0.259 7.816 -4.441 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.591 6.565 -4.320 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -1.734 6.659 -3.838 1.00 1.95 O ATOM 1589 OD2 ASP B 71 -0.119 5.479 -4.722 1.00 1.89 O ATOM 0 H ASP B 71 1.702 6.134 -2.985 1.00 1.20 H new ATOM 0 HA ASP B 71 1.600 9.064 -3.352 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -0.388 8.666 -4.661 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.938 7.705 -5.287 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.147 9.507 -1.624 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.012 9.797 -0.488 1.00 1.39 C ATOM 1596 C VAL B 72 -2.478 9.795 -0.924 1.00 1.60 C ATOM 1597 O VAL B 72 -3.363 9.380 -0.174 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.641 11.156 0.167 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.628 12.281 -0.860 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.582 11.488 1.316 1.00 1.98 C ATOM 0 H VAL B 72 0.187 10.334 -2.119 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.866 9.015 0.257 1.00 1.39 H new ATOM 0 HB VAL B 72 0.366 11.059 0.572 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -0.365 13.218 -0.370 1.00 1.50 H new ATOM 0 HG12 VAL B 72 0.106 12.058 -1.634 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -1.616 12.373 -1.312 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -1.297 12.444 1.755 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.604 11.550 0.943 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -1.519 10.708 2.075 1.00 1.98 H new ATOM 1610 N ASN B 73 -2.705 10.238 -2.156 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.040 10.305 -2.744 1.00 2.04 C ATOM 1612 C ASN B 73 -3.942 10.923 -4.128 1.00 2.10 C ATOM 1613 O ASN B 73 -4.563 10.457 -5.083 1.00 2.56 O ATOM 1614 CB ASN B 73 -4.992 11.145 -1.883 1.00 2.45 C ATOM 1615 CG ASN B 73 -6.426 11.100 -2.386 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -6.968 10.032 -2.674 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -7.040 12.266 -2.518 1.00 3.55 N ATOM 0 H ASN B 73 -1.965 10.563 -2.779 1.00 1.74 H new ATOM 0 HA ASN B 73 -4.439 9.292 -2.803 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -4.960 10.785 -0.855 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -4.648 12.179 -1.870 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -7.997 12.302 -2.869 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -6.556 13.128 -2.268 1.00 3.55 H new ATOM 1624 N GLU B 74 -3.160 11.990 -4.219 1.00 2.11 N ATOM 1625 CA GLU B 74 -2.950 12.688 -5.476 1.00 2.37 C ATOM 1626 C GLU B 74 -1.670 12.190 -6.140 1.00 2.06 C ATOM 1627 O GLU B 74 -0.955 11.362 -5.573 1.00 2.44 O ATOM 1628 CB GLU B 74 -2.856 14.201 -5.240 1.00 3.12 C ATOM 1629 CG GLU B 74 -4.144 14.835 -4.731 1.00 3.50 C ATOM 1630 CD GLU B 74 -4.392 14.582 -3.255 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -3.414 14.387 -2.502 1.00 4.76 O ATOM 1632 OE2 GLU B 74 -5.569 14.577 -2.838 1.00 4.70 O ATOM 0 H GLU B 74 -2.657 12.393 -3.428 1.00 2.11 H new ATOM 0 HA GLU B 74 -3.798 12.487 -6.131 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -2.060 14.397 -4.522 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -2.570 14.686 -6.173 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -4.107 15.910 -4.908 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -4.985 14.446 -5.306 1.00 3.50 H new ATOM 1639 N GLY B 75 -1.387 12.697 -7.332 1.00 1.96 N ATOM 1640 CA GLY B 75 -0.190 12.295 -8.048 1.00 1.83 C ATOM 1641 C GLY B 75 1.063 12.897 -7.440 1.00 1.79 C ATOM 1642 O GLY B 75 2.157 12.337 -7.553 1.00 2.16 O ATOM 0 H GLY B 75 -1.966 13.382 -7.818 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -0.111 11.208 -8.041 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -0.271 12.602 -9.091 1.00 1.83 H new ATOM 1646 N GLY B 76 0.902 14.046 -6.805 1.00 1.70 N ATOM 1647 CA GLY B 76 2.013 14.711 -6.175 1.00 1.72 C ATOM 1648 C GLY B 76 1.605 15.290 -4.827 1.00 1.64 C ATOM 1649 O GLY B 76 0.447 15.674 -4.645 1.00 1.74 O ATOM 0 H GLY B 76 0.010 14.532 -6.716 1.00 1.70 H new ATOM 0 HA2 GLY B 76 2.834 14.007 -6.040 1.00 1.72 H new ATOM 0 HA3 GLY B 76 2.380 15.508 -6.822 1.00 1.72 H new ATOM 1653 N PRO B 77 2.533 15.358 -3.861 1.00 1.48 N ATOM 1654 CA PRO B 77 3.908 14.901 -4.044 1.00 1.39 C ATOM 1655 C PRO B 77 4.060 13.394 -3.831 1.00 1.29 C ATOM 1656 O PRO B 77 3.590 12.842 -2.835 1.00 1.33 O ATOM 1657 CB PRO B 77 4.670 15.676 -2.972 1.00 1.36 C ATOM 1658 CG PRO B 77 3.682 15.877 -1.872 1.00 1.41 C ATOM 1659 CD PRO B 77 2.314 15.913 -2.512 1.00 1.46 C ATOM 0 HA PRO B 77 4.268 15.074 -5.058 1.00 1.39 H new ATOM 0 HB2 PRO B 77 5.540 15.119 -2.625 1.00 1.36 H new ATOM 0 HB3 PRO B 77 5.034 16.629 -3.356 1.00 1.36 H new ATOM 0 HG2 PRO B 77 3.746 15.069 -1.143 1.00 1.41 H new ATOM 0 HG3 PRO B 77 3.883 16.805 -1.337 1.00 1.41 H new ATOM 0 HD2 PRO B 77 1.595 15.319 -1.949 1.00 1.46 H new ATOM 0 HD3 PRO B 77 1.922 16.929 -2.558 1.00 1.46 H new ATOM 1667 N SER B 78 4.710 12.733 -4.774 1.00 1.25 N ATOM 1668 CA SER B 78 4.928 11.299 -4.679 1.00 1.17 C ATOM 1669 C SER B 78 6.218 11.018 -3.919 1.00 1.05 C ATOM 1670 O SER B 78 7.294 11.464 -4.317 1.00 1.14 O ATOM 1671 CB SER B 78 4.992 10.684 -6.077 1.00 1.28 C ATOM 1672 OG SER B 78 4.726 11.655 -7.080 1.00 1.47 O ATOM 0 H SER B 78 5.096 13.166 -5.613 1.00 1.25 H new ATOM 0 HA SER B 78 4.096 10.849 -4.137 1.00 1.17 H new ATOM 0 HB2 SER B 78 5.978 10.249 -6.241 1.00 1.28 H new ATOM 0 HB3 SER B 78 4.269 9.872 -6.153 1.00 1.28 H new ATOM 0 HG SER B 78 3.772 11.643 -7.302 1.00 1.47 H new ATOM 1678 N TYR B 79 6.109 10.288 -2.818 1.00 1.02 N ATOM 1679 CA TYR B 79 7.275 9.966 -2.011 1.00 0.93 C ATOM 1680 C TYR B 79 7.994 8.755 -2.581 1.00 0.87 C ATOM 1681 O TYR B 79 7.369 7.875 -3.170 1.00 0.85 O ATOM 1682 CB TYR B 79 6.864 9.723 -0.559 1.00 0.93 C ATOM 1683 CG TYR B 79 6.157 10.907 0.060 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.842 12.087 0.314 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.806 10.851 0.378 1.00 1.06 C ATOM 1686 CE1 TYR B 79 6.202 13.177 0.868 1.00 1.26 C ATOM 1687 CE2 TYR B 79 4.158 11.939 0.931 1.00 1.15 C ATOM 1688 CZ TYR B 79 4.862 13.099 1.174 1.00 1.22 C ATOM 1689 OH TYR B 79 4.225 14.187 1.722 1.00 1.35 O ATOM 0 H TYR B 79 5.230 9.910 -2.465 1.00 1.02 H new ATOM 0 HA TYR B 79 7.963 10.811 -2.034 1.00 0.93 H new ATOM 0 HB2 TYR B 79 6.211 8.852 -0.513 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.751 9.488 0.030 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.893 12.153 0.074 1.00 1.15 H new ATOM 0 HD2 TYR B 79 4.253 9.942 0.190 1.00 1.06 H new ATOM 0 HE1 TYR B 79 6.750 14.087 1.061 1.00 1.26 H new ATOM 0 HE2 TYR B 79 3.107 11.881 1.171 1.00 1.15 H new ATOM 0 HH TYR B 79 3.282 13.970 1.878 1.00 1.35 H new ATOM 1699 N LYS B 80 9.305 8.714 -2.420 1.00 0.87 N ATOM 1700 CA LYS B 80 10.098 7.610 -2.937 1.00 0.83 C ATOM 1701 C LYS B 80 10.860 6.929 -1.809 1.00 0.77 C ATOM 1702 O LYS B 80 11.715 7.543 -1.171 1.00 0.81 O ATOM 1703 CB LYS B 80 11.079 8.111 -4.004 1.00 0.87 C ATOM 1704 CG LYS B 80 10.421 8.906 -5.122 1.00 0.99 C ATOM 1705 CD LYS B 80 9.756 7.998 -6.146 1.00 1.08 C ATOM 1706 CE LYS B 80 8.932 8.800 -7.141 1.00 1.41 C ATOM 1707 NZ LYS B 80 8.551 7.996 -8.333 1.00 2.14 N ATOM 0 H LYS B 80 9.844 9.432 -1.936 1.00 0.87 H new ATOM 0 HA LYS B 80 9.423 6.885 -3.392 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.835 8.734 -3.525 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.598 7.256 -4.437 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.678 9.582 -4.699 1.00 0.99 H new ATOM 0 HG3 LYS B 80 11.169 9.525 -5.617 1.00 0.99 H new ATOM 0 HD2 LYS B 80 10.517 7.427 -6.677 1.00 1.08 H new ATOM 0 HD3 LYS B 80 9.115 7.279 -5.636 1.00 1.08 H new ATOM 0 HE2 LYS B 80 8.031 9.168 -6.650 1.00 1.41 H new ATOM 0 HE3 LYS B 80 9.501 9.673 -7.461 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 7.843 8.515 -8.890 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 9.393 7.823 -8.919 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 8.151 7.087 -8.025 1.00 2.14 H new ATOM 1721 N LEU B 81 10.535 5.672 -1.553 1.00 0.70 N ATOM 1722 CA LEU B 81 11.200 4.912 -0.504 1.00 0.67 C ATOM 1723 C LEU B 81 12.357 4.106 -1.094 1.00 0.63 C ATOM 1724 O LEU B 81 12.138 3.174 -1.870 1.00 0.60 O ATOM 1725 CB LEU B 81 10.210 3.976 0.199 1.00 0.66 C ATOM 1726 CG LEU B 81 10.487 3.724 1.688 1.00 0.75 C ATOM 1727 CD1 LEU B 81 9.259 3.145 2.361 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.675 2.789 1.874 1.00 1.13 C ATOM 0 H LEU B 81 9.814 5.155 -2.057 1.00 0.70 H new ATOM 0 HA LEU B 81 11.593 5.612 0.233 1.00 0.67 H new ATOM 0 HB2 LEU B 81 9.208 4.393 0.099 1.00 0.66 H new ATOM 0 HB3 LEU B 81 10.210 3.018 -0.321 1.00 0.66 H new ATOM 0 HG LEU B 81 10.729 4.680 2.152 1.00 0.75 H new ATOM 0 HD11 LEU B 81 9.470 2.971 3.416 1.00 0.87 H new ATOM 0 HD12 LEU B 81 8.429 3.845 2.267 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.994 2.201 1.884 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.848 2.628 2.938 1.00 1.13 H new ATOM 0 HD22 LEU B 81 11.465 1.834 1.392 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.563 3.235 1.425 1.00 1.13 H new ATOM 1740 N PRO B 82 13.598 4.477 -0.756 1.00 0.68 N ATOM 1741 CA PRO B 82 14.786 3.788 -1.239 1.00 0.70 C ATOM 1742 C PRO B 82 15.176 2.616 -0.338 1.00 0.69 C ATOM 1743 O PRO B 82 15.627 2.809 0.793 1.00 0.73 O ATOM 1744 CB PRO B 82 15.844 4.887 -1.196 1.00 0.77 C ATOM 1745 CG PRO B 82 15.432 5.787 -0.076 1.00 0.78 C ATOM 1746 CD PRO B 82 13.943 5.611 0.118 1.00 0.77 C ATOM 0 HA PRO B 82 14.649 3.345 -2.225 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.836 4.471 -1.022 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.887 5.429 -2.141 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.971 5.535 0.837 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.669 6.825 -0.310 1.00 0.78 H new ATOM 0 HD2 PRO B 82 13.699 5.400 1.159 1.00 0.77 H new ATOM 0 HD3 PRO B 82 13.395 6.511 -0.162 1.00 0.77 H new ATOM 1754 N TYR B 83 15.004 1.404 -0.840 1.00 0.69 N ATOM 1755 CA TYR B 83 15.323 0.208 -0.077 1.00 0.70 C ATOM 1756 C TYR B 83 16.690 -0.345 -0.458 1.00 0.74 C ATOM 1757 O TYR B 83 17.038 -0.428 -1.638 1.00 0.78 O ATOM 1758 CB TYR B 83 14.240 -0.860 -0.280 1.00 0.75 C ATOM 1759 CG TYR B 83 14.560 -2.197 0.357 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.659 -2.326 1.739 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.764 -3.328 -0.424 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.956 -3.545 2.321 1.00 0.89 C ATOM 1763 CE2 TYR B 83 15.059 -4.549 0.152 1.00 0.93 C ATOM 1764 CZ TYR B 83 15.155 -4.653 1.523 1.00 0.94 C ATOM 1765 OH TYR B 83 15.459 -5.867 2.092 1.00 1.02 O ATOM 0 H TYR B 83 14.644 1.222 -1.777 1.00 0.69 H new ATOM 0 HA TYR B 83 15.355 0.483 0.977 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.300 -0.491 0.130 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.086 -1.007 -1.349 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.502 -1.461 2.367 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.691 -3.252 -1.499 1.00 0.87 H new ATOM 0 HE1 TYR B 83 15.032 -3.629 3.395 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.214 -5.418 -0.470 1.00 0.93 H new ATOM 0 HH TYR B 83 15.566 -6.541 1.388 1.00 1.02 H new ATOM 1775 N ASN B 84 17.454 -0.711 0.563 1.00 0.76 N ATOM 1776 CA ASN B 84 18.785 -1.281 0.393 1.00 0.84 C ATOM 1777 C ASN B 84 18.683 -2.805 0.421 1.00 0.93 C ATOM 1778 O ASN B 84 17.887 -3.349 1.180 1.00 0.95 O ATOM 1779 CB ASN B 84 19.709 -0.777 1.515 1.00 0.86 C ATOM 1780 CG ASN B 84 20.941 -1.638 1.733 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.620 -2.041 0.790 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.230 -1.931 2.992 1.00 2.53 N ATOM 0 H ASN B 84 17.167 -0.620 1.538 1.00 0.76 H new ATOM 0 HA ASN B 84 19.205 -0.972 -0.564 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.025 0.240 1.282 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.142 -0.729 2.445 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.041 -2.511 3.207 1.00 2.53 H new ATOM 0 HD22 ASN B 84 20.641 -1.577 3.746 1.00 2.53 H new ATOM 1789 N THR B 85 19.471 -3.483 -0.407 1.00 1.07 N ATOM 1790 CA THR B 85 19.448 -4.941 -0.474 1.00 1.20 C ATOM 1791 C THR B 85 19.685 -5.580 0.898 1.00 1.16 C ATOM 1792 O THR B 85 18.827 -6.298 1.415 1.00 1.39 O ATOM 1793 CB THR B 85 20.500 -5.459 -1.474 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.461 -4.428 -1.753 1.00 1.53 O ATOM 1795 CG2 THR B 85 19.837 -5.907 -2.768 1.00 1.79 C ATOM 0 H THR B 85 20.136 -3.044 -1.044 1.00 1.07 H new ATOM 0 HA THR B 85 18.453 -5.227 -0.815 1.00 1.20 H new ATOM 0 HB THR B 85 21.007 -6.315 -1.028 1.00 1.34 H new ATOM 0 HG1 THR B 85 21.178 -3.922 -2.543 1.00 1.53 H new ATOM 0 HG21 THR B 85 20.597 -6.269 -3.460 1.00 1.79 H new ATOM 0 HG22 THR B 85 19.129 -6.708 -2.556 1.00 1.79 H new ATOM 0 HG23 THR B 85 19.309 -5.065 -3.217 1.00 1.79 H new ATOM 1803 N SER B 86 20.836 -5.292 1.489 1.00 1.23 N ATOM 1804 CA SER B 86 21.185 -5.837 2.792 1.00 1.24 C ATOM 1805 C SER B 86 20.619 -4.966 3.914 1.00 1.22 C ATOM 1806 O SER B 86 21.363 -4.370 4.700 1.00 1.43 O ATOM 1807 CB SER B 86 22.704 -5.948 2.915 1.00 1.53 C ATOM 1808 OG SER B 86 23.281 -6.320 1.674 1.00 1.95 O ATOM 0 H SER B 86 21.546 -4.682 1.084 1.00 1.23 H new ATOM 0 HA SER B 86 20.747 -6.831 2.885 1.00 1.24 H new ATOM 0 HB2 SER B 86 23.118 -4.995 3.243 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.959 -6.685 3.676 1.00 1.53 H new ATOM 0 HG SER B 86 24.254 -6.384 1.772 1.00 1.95 H new ATOM 1814 N ASP B 87 19.300 -4.884 3.973 1.00 1.20 N ATOM 1815 CA ASP B 87 18.630 -4.086 4.986 1.00 1.43 C ATOM 1816 C ASP B 87 17.413 -4.823 5.524 1.00 1.19 C ATOM 1817 O ASP B 87 17.188 -5.990 5.194 1.00 1.33 O ATOM 1818 CB ASP B 87 18.210 -2.736 4.404 1.00 1.99 C ATOM 1819 CG ASP B 87 18.513 -1.580 5.330 1.00 2.54 C ATOM 1820 OD1 ASP B 87 17.689 -1.293 6.225 1.00 2.92 O ATOM 1821 OD2 ASP B 87 19.578 -0.946 5.165 1.00 2.97 O ATOM 0 H ASP B 87 18.670 -5.362 3.329 1.00 1.20 H new ATOM 0 HA ASP B 87 19.326 -3.915 5.807 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.722 -2.579 3.455 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.141 -2.754 4.190 1.00 1.99 H new ATOM 1826 N ASP B 88 16.631 -4.141 6.344 1.00 1.18 N ATOM 1827 CA ASP B 88 15.434 -4.733 6.924 1.00 1.09 C ATOM 1828 C ASP B 88 14.201 -3.949 6.489 1.00 0.98 C ATOM 1829 O ASP B 88 14.163 -2.724 6.616 1.00 0.95 O ATOM 1830 CB ASP B 88 15.542 -4.769 8.450 1.00 1.31 C ATOM 1831 CG ASP B 88 14.332 -5.402 9.108 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.324 -4.697 9.317 1.00 2.55 O ATOM 1833 OD2 ASP B 88 14.395 -6.607 9.434 1.00 2.12 O ATOM 0 H ASP B 88 16.803 -3.175 6.624 1.00 1.18 H new ATOM 0 HA ASP B 88 15.338 -5.758 6.566 1.00 1.09 H new ATOM 0 HB2 ASP B 88 16.436 -5.324 8.734 1.00 1.31 H new ATOM 0 HB3 ASP B 88 15.665 -3.753 8.825 1.00 1.31 H new ATOM 1838 N PRO B 89 13.178 -4.655 5.973 1.00 0.95 N ATOM 1839 CA PRO B 89 11.931 -4.043 5.489 1.00 0.90 C ATOM 1840 C PRO B 89 11.299 -3.057 6.469 1.00 0.89 C ATOM 1841 O PRO B 89 10.764 -2.027 6.063 1.00 0.85 O ATOM 1842 CB PRO B 89 11.009 -5.246 5.289 1.00 0.96 C ATOM 1843 CG PRO B 89 11.931 -6.376 4.992 1.00 0.79 C ATOM 1844 CD PRO B 89 13.163 -6.124 5.814 1.00 1.00 C ATOM 0 HA PRO B 89 12.111 -3.449 4.593 1.00 0.90 H new ATOM 0 HB2 PRO B 89 10.414 -5.443 6.181 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.310 -5.078 4.470 1.00 0.96 H new ATOM 0 HG2 PRO B 89 11.476 -7.331 5.252 1.00 0.79 H new ATOM 0 HG3 PRO B 89 12.171 -6.416 3.930 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.113 -6.631 6.777 1.00 1.00 H new ATOM 0 HD3 PRO B 89 14.061 -6.482 5.311 1.00 1.00 H new ATOM 1852 N TRP B 90 11.371 -3.358 7.756 1.00 0.97 N ATOM 1853 CA TRP B 90 10.778 -2.493 8.762 1.00 1.01 C ATOM 1854 C TRP B 90 11.712 -1.349 9.133 1.00 0.99 C ATOM 1855 O TRP B 90 11.259 -0.238 9.402 1.00 0.96 O ATOM 1856 CB TRP B 90 10.390 -3.294 10.005 1.00 1.13 C ATOM 1857 CG TRP B 90 9.119 -4.063 9.824 1.00 1.32 C ATOM 1858 CD1 TRP B 90 7.849 -3.572 9.890 1.00 1.47 C ATOM 1859 CD2 TRP B 90 8.993 -5.461 9.542 1.00 2.16 C ATOM 1860 NE1 TRP B 90 6.940 -4.576 9.665 1.00 2.14 N ATOM 1861 CE2 TRP B 90 7.618 -5.747 9.449 1.00 2.56 C ATOM 1862 CE3 TRP B 90 9.910 -6.499 9.357 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 7.139 -7.026 9.182 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 9.435 -7.767 9.090 1.00 3.79 C ATOM 1865 CH2 TRP B 90 8.060 -8.022 9.006 1.00 4.06 C ATOM 0 H TRP B 90 11.831 -4.189 8.126 1.00 0.97 H new ATOM 0 HA TRP B 90 9.874 -2.060 8.333 1.00 1.01 H new ATOM 0 HB2 TRP B 90 11.196 -3.985 10.253 1.00 1.13 H new ATOM 0 HB3 TRP B 90 10.281 -2.615 10.851 1.00 1.13 H new ATOM 0 HD1 TRP B 90 7.595 -2.542 10.090 1.00 1.47 H new ATOM 0 HE1 TRP B 90 5.926 -4.468 9.660 1.00 2.14 H new ATOM 0 HE3 TRP B 90 10.972 -6.312 9.422 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 6.080 -7.225 9.116 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 10.135 -8.576 8.943 1.00 3.79 H new ATOM 0 HH2 TRP B 90 7.720 -9.026 8.798 1.00 4.06 H new ATOM 1876 N LEU B 91 13.014 -1.612 9.132 1.00 1.03 N ATOM 1877 CA LEU B 91 13.993 -0.585 9.469 1.00 1.05 C ATOM 1878 C LEU B 91 14.008 0.510 8.412 1.00 0.97 C ATOM 1879 O LEU B 91 13.907 1.694 8.737 1.00 0.99 O ATOM 1880 CB LEU B 91 15.396 -1.180 9.613 1.00 1.14 C ATOM 1881 CG LEU B 91 15.678 -1.882 10.944 1.00 1.32 C ATOM 1882 CD1 LEU B 91 17.062 -2.516 10.928 1.00 1.39 C ATOM 1883 CD2 LEU B 91 15.563 -0.896 12.099 1.00 1.43 C ATOM 0 H LEU B 91 13.414 -2.522 8.903 1.00 1.03 H new ATOM 0 HA LEU B 91 13.699 -0.155 10.427 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.554 -1.894 8.805 1.00 1.14 H new ATOM 0 HB3 LEU B 91 16.126 -0.382 9.481 1.00 1.14 H new ATOM 0 HG LEU B 91 14.937 -2.669 11.083 1.00 1.32 H new ATOM 0 HD11 LEU B 91 17.247 -3.011 11.882 1.00 1.39 H new ATOM 0 HD12 LEU B 91 17.117 -3.248 10.122 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.814 -1.743 10.769 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.766 -1.410 13.038 1.00 1.43 H new ATOM 0 HD22 LEU B 91 16.285 -0.090 11.963 1.00 1.43 H new ATOM 0 HD23 LEU B 91 14.556 -0.480 12.124 1.00 1.43 H new ATOM 1895 N THR B 92 14.120 0.110 7.149 1.00 0.92 N ATOM 1896 CA THR B 92 14.145 1.066 6.051 1.00 0.88 C ATOM 1897 C THR B 92 12.840 1.854 5.986 1.00 0.81 C ATOM 1898 O THR B 92 12.845 3.070 5.779 1.00 0.82 O ATOM 1899 CB THR B 92 14.383 0.366 4.701 1.00 0.92 C ATOM 1900 OG1 THR B 92 15.259 -0.756 4.869 1.00 0.97 O ATOM 1901 CG2 THR B 92 14.987 1.335 3.699 1.00 1.06 C ATOM 0 H THR B 92 14.195 -0.866 6.863 1.00 0.92 H new ATOM 0 HA THR B 92 14.971 1.751 6.242 1.00 0.88 H new ATOM 0 HB THR B 92 13.422 0.017 4.324 1.00 0.92 H new ATOM 0 HG1 THR B 92 16.032 -0.490 5.410 1.00 0.97 H new ATOM 0 HG21 THR B 92 15.149 0.823 2.750 1.00 1.06 H new ATOM 0 HG22 THR B 92 14.307 2.173 3.548 1.00 1.06 H new ATOM 0 HG23 THR B 92 15.939 1.705 4.079 1.00 1.06 H new ATOM 1909 N ALA B 93 11.726 1.158 6.184 1.00 0.79 N ATOM 1910 CA ALA B 93 10.416 1.788 6.146 1.00 0.79 C ATOM 1911 C ALA B 93 10.263 2.794 7.283 1.00 0.84 C ATOM 1912 O ALA B 93 9.811 3.917 7.071 1.00 0.84 O ATOM 1913 CB ALA B 93 9.318 0.739 6.212 1.00 0.82 C ATOM 0 H ALA B 93 11.706 0.156 6.373 1.00 0.79 H new ATOM 0 HA ALA B 93 10.325 2.326 5.202 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.345 1.229 6.182 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.410 0.062 5.362 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.411 0.173 7.139 1.00 0.82 H new ATOM 1919 N TYR B 94 10.668 2.390 8.484 1.00 0.93 N ATOM 1920 CA TYR B 94 10.572 3.250 9.659 1.00 1.04 C ATOM 1921 C TYR B 94 11.495 4.456 9.522 1.00 1.05 C ATOM 1922 O TYR B 94 11.163 5.560 9.957 1.00 1.10 O ATOM 1923 CB TYR B 94 10.921 2.460 10.919 1.00 1.17 C ATOM 1924 CG TYR B 94 10.412 3.088 12.196 1.00 1.28 C ATOM 1925 CD1 TYR B 94 9.050 3.184 12.448 1.00 1.35 C ATOM 1926 CD2 TYR B 94 11.294 3.582 13.148 1.00 1.44 C ATOM 1927 CE1 TYR B 94 8.580 3.753 13.616 1.00 1.50 C ATOM 1928 CE2 TYR B 94 10.833 4.151 14.319 1.00 1.57 C ATOM 1929 CZ TYR B 94 9.476 4.236 14.548 1.00 1.57 C ATOM 1930 OH TYR B 94 9.013 4.797 15.717 1.00 1.76 O ATOM 0 H TYR B 94 11.067 1.470 8.669 1.00 0.93 H new ATOM 0 HA TYR B 94 9.546 3.610 9.739 1.00 1.04 H new ATOM 0 HB2 TYR B 94 10.510 1.454 10.831 1.00 1.17 H new ATOM 0 HB3 TYR B 94 12.004 2.357 10.983 1.00 1.17 H new ATOM 0 HD1 TYR B 94 8.347 2.808 11.720 1.00 1.35 H new ATOM 0 HD2 TYR B 94 12.357 3.520 12.970 1.00 1.44 H new ATOM 0 HE1 TYR B 94 7.518 3.819 13.799 1.00 1.50 H new ATOM 0 HE2 TYR B 94 11.532 4.527 15.051 1.00 1.57 H new ATOM 0 HH TYR B 94 9.773 5.086 16.264 1.00 1.76 H new ATOM 1940 N ASN B 95 12.649 4.229 8.908 1.00 1.03 N ATOM 1941 CA ASN B 95 13.632 5.282 8.694 1.00 1.08 C ATOM 1942 C ASN B 95 13.026 6.416 7.874 1.00 1.04 C ATOM 1943 O ASN B 95 13.159 7.588 8.218 1.00 1.12 O ATOM 1944 CB ASN B 95 14.866 4.710 7.989 1.00 1.08 C ATOM 1945 CG ASN B 95 16.017 5.696 7.902 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.174 6.570 8.758 1.00 1.22 O ATOM 1947 ND2 ASN B 95 16.839 5.551 6.873 1.00 1.47 N ATOM 0 H ASN B 95 12.928 3.317 8.547 1.00 1.03 H new ATOM 0 HA ASN B 95 13.935 5.683 9.661 1.00 1.08 H new ATOM 0 HB2 ASN B 95 15.199 3.819 8.521 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.588 4.396 6.983 1.00 1.08 H new ATOM 0 HD21 ASN B 95 17.638 6.176 6.767 1.00 1.47 H new ATOM 0 HD22 ASN B 95 16.673 4.814 6.187 1.00 1.47 H new ATOM 1954 N PHE B 96 12.333 6.055 6.802 1.00 0.93 N ATOM 1955 CA PHE B 96 11.696 7.039 5.936 1.00 0.91 C ATOM 1956 C PHE B 96 10.426 7.581 6.591 1.00 0.91 C ATOM 1957 O PHE B 96 10.087 8.755 6.441 1.00 0.92 O ATOM 1958 CB PHE B 96 11.367 6.409 4.578 1.00 0.88 C ATOM 1959 CG PHE B 96 10.933 7.403 3.535 1.00 0.97 C ATOM 1960 CD1 PHE B 96 11.847 8.275 2.970 1.00 1.16 C ATOM 1961 CD2 PHE B 96 9.610 7.462 3.122 1.00 0.99 C ATOM 1962 CE1 PHE B 96 11.452 9.190 2.013 1.00 1.32 C ATOM 1963 CE2 PHE B 96 9.210 8.377 2.166 1.00 1.19 C ATOM 1964 CZ PHE B 96 10.131 9.241 1.611 1.00 1.33 C ATOM 0 H PHE B 96 12.197 5.087 6.511 1.00 0.93 H new ATOM 0 HA PHE B 96 12.386 7.868 5.781 1.00 0.91 H new ATOM 0 HB2 PHE B 96 12.245 5.875 4.214 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.577 5.670 4.713 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.881 8.240 3.281 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.885 6.786 3.552 1.00 0.99 H new ATOM 0 HE1 PHE B 96 12.175 9.865 1.579 1.00 1.32 H new ATOM 0 HE2 PHE B 96 8.177 8.415 1.854 1.00 1.19 H new ATOM 0 HZ PHE B 96 9.820 9.956 0.864 1.00 1.33 H new ATOM 1974 N LEU B 97 9.747 6.710 7.335 1.00 0.93 N ATOM 1975 CA LEU B 97 8.510 7.064 8.022 1.00 1.00 C ATOM 1976 C LEU B 97 8.720 8.219 8.995 1.00 1.09 C ATOM 1977 O LEU B 97 7.976 9.198 8.979 1.00 1.10 O ATOM 1978 CB LEU B 97 7.968 5.848 8.780 1.00 1.06 C ATOM 1979 CG LEU B 97 6.460 5.843 9.021 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.724 5.363 7.783 1.00 1.30 C ATOM 1981 CD2 LEU B 97 6.118 4.977 10.221 1.00 1.48 C ATOM 0 H LEU B 97 10.039 5.743 7.477 1.00 0.93 H new ATOM 0 HA LEU B 97 7.790 7.382 7.268 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.233 4.948 8.225 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.473 5.788 9.744 1.00 1.06 H new ATOM 0 HG LEU B 97 6.139 6.863 9.233 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.651 5.366 7.974 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.946 6.027 6.947 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.046 4.351 7.538 1.00 1.30 H new ATOM 0 HD21 LEU B 97 5.040 4.984 10.379 1.00 1.48 H new ATOM 0 HD22 LEU B 97 6.451 3.955 10.039 1.00 1.48 H new ATOM 0 HD23 LEU B 97 6.617 5.369 11.107 1.00 1.48 H new ATOM 1993 N GLN B 98 9.744 8.106 9.832 1.00 1.19 N ATOM 1994 CA GLN B 98 10.037 9.145 10.813 1.00 1.31 C ATOM 1995 C GLN B 98 10.671 10.357 10.148 1.00 1.30 C ATOM 1996 O GLN B 98 10.503 11.483 10.612 1.00 1.39 O ATOM 1997 CB GLN B 98 10.957 8.608 11.910 1.00 1.43 C ATOM 1998 CG GLN B 98 10.293 7.579 12.812 1.00 2.02 C ATOM 1999 CD GLN B 98 9.045 8.106 13.506 1.00 2.69 C ATOM 2000 OE1 GLN B 98 9.047 9.382 13.869 1.00 2.73 O flip ATOM 2001 NE2 GLN B 98 8.089 7.365 13.724 1.00 3.60 N flip ATOM 0 H GLN B 98 10.382 7.311 9.852 1.00 1.19 H new ATOM 0 HA GLN B 98 9.094 9.452 11.265 1.00 1.31 H new ATOM 0 HB2 GLN B 98 11.837 8.160 11.448 1.00 1.43 H new ATOM 0 HB3 GLN B 98 11.307 9.441 12.519 1.00 1.43 H new ATOM 0 HG2 GLN B 98 10.029 6.703 12.220 1.00 2.02 H new ATOM 0 HG3 GLN B 98 11.009 7.250 13.566 1.00 2.02 H new ATOM 0 HE21 GLN B 98 8.123 6.389 13.430 1.00 3.60 H new ATOM 0 HE22 GLN B 98 7.262 7.726 14.199 1.00 3.60 H new ATOM 2010 N LYS B 99 11.389 10.122 9.056 1.00 1.21 N ATOM 2011 CA LYS B 99 12.048 11.198 8.328 1.00 1.23 C ATOM 2012 C LYS B 99 11.029 12.174 7.744 1.00 1.18 C ATOM 2013 O LYS B 99 11.192 13.387 7.843 1.00 1.22 O ATOM 2014 CB LYS B 99 12.923 10.625 7.209 1.00 1.19 C ATOM 2015 CG LYS B 99 13.482 11.679 6.266 1.00 1.18 C ATOM 2016 CD LYS B 99 13.317 11.268 4.812 1.00 1.26 C ATOM 2017 CE LYS B 99 13.650 12.414 3.866 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.614 13.484 3.892 1.00 1.59 N ATOM 0 H LYS B 99 11.529 9.195 8.655 1.00 1.21 H new ATOM 0 HA LYS B 99 12.678 11.742 9.032 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.751 10.074 7.654 1.00 1.19 H new ATOM 0 HB3 LYS B 99 12.337 9.909 6.633 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.974 12.628 6.437 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.538 11.839 6.482 1.00 1.18 H new ATOM 0 HD2 LYS B 99 13.965 10.418 4.597 1.00 1.26 H new ATOM 0 HD3 LYS B 99 12.292 10.939 4.640 1.00 1.26 H new ATOM 0 HE2 LYS B 99 14.616 12.839 4.139 1.00 1.39 H new ATOM 0 HE3 LYS B 99 13.747 12.029 2.851 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.838 14.201 3.173 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 11.682 13.070 3.689 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 12.598 13.929 4.832 1.00 1.59 H new ATOM 2032 N ASN B 100 9.972 11.640 7.144 1.00 1.12 N ATOM 2033 CA ASN B 100 8.945 12.480 6.541 1.00 1.11 C ATOM 2034 C ASN B 100 7.763 12.684 7.478 1.00 1.13 C ATOM 2035 O ASN B 100 6.768 13.307 7.107 1.00 1.12 O ATOM 2036 CB ASN B 100 8.475 11.884 5.215 1.00 1.07 C ATOM 2037 CG ASN B 100 8.977 12.677 4.023 1.00 1.32 C ATOM 2038 OD1 ASN B 100 10.065 12.417 3.501 1.00 1.75 O ATOM 2039 ND2 ASN B 100 8.197 13.656 3.588 1.00 1.49 N ATOM 0 H ASN B 100 9.804 10.637 7.062 1.00 1.12 H new ATOM 0 HA ASN B 100 9.390 13.457 6.352 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.823 10.854 5.137 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.386 11.854 5.197 1.00 1.07 H new ATOM 0 HD21 ASN B 100 8.489 14.226 2.794 1.00 1.49 H new ATOM 0 HD22 ASN B 100 7.305 13.839 4.047 1.00 1.49 H new ATOM 2046 N ASP B 101 7.894 12.163 8.693 1.00 1.19 N ATOM 2047 CA ASP B 101 6.865 12.272 9.730 1.00 1.24 C ATOM 2048 C ASP B 101 5.515 11.732 9.261 1.00 1.23 C ATOM 2049 O ASP B 101 4.552 12.482 9.084 1.00 1.33 O ATOM 2050 CB ASP B 101 6.708 13.719 10.201 1.00 1.27 C ATOM 2051 CG ASP B 101 6.209 13.806 11.630 1.00 1.36 C ATOM 2052 OD1 ASP B 101 5.083 13.345 11.911 1.00 1.84 O ATOM 2053 OD2 ASP B 101 6.945 14.336 12.487 1.00 1.79 O ATOM 0 H ASP B 101 8.722 11.648 8.992 1.00 1.19 H new ATOM 0 HA ASP B 101 7.201 11.659 10.566 1.00 1.24 H new ATOM 0 HB2 ASP B 101 7.667 14.231 10.121 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.013 14.240 9.543 1.00 1.27 H new ATOM 2058 N LEU B 102 5.455 10.430 9.042 1.00 1.15 N ATOM 2059 CA LEU B 102 4.223 9.785 8.619 1.00 1.17 C ATOM 2060 C LEU B 102 3.594 9.053 9.797 1.00 1.23 C ATOM 2061 O LEU B 102 4.188 8.967 10.873 1.00 1.28 O ATOM 2062 CB LEU B 102 4.487 8.803 7.474 1.00 1.11 C ATOM 2063 CG LEU B 102 4.149 9.311 6.068 1.00 1.26 C ATOM 2064 CD1 LEU B 102 2.704 9.784 5.992 1.00 1.96 C ATOM 2065 CD2 LEU B 102 5.102 10.423 5.657 1.00 1.50 C ATOM 0 H LEU B 102 6.247 9.797 9.150 1.00 1.15 H new ATOM 0 HA LEU B 102 3.537 10.552 8.261 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.540 8.524 7.495 1.00 1.11 H new ATOM 0 HB3 LEU B 102 3.913 7.895 7.660 1.00 1.11 H new ATOM 0 HG LEU B 102 4.268 8.482 5.371 1.00 1.26 H new ATOM 0 HD11 LEU B 102 2.490 10.139 4.984 1.00 1.96 H new ATOM 0 HD12 LEU B 102 2.037 8.957 6.234 1.00 1.96 H new ATOM 0 HD13 LEU B 102 2.549 10.595 6.703 1.00 1.96 H new ATOM 0 HD21 LEU B 102 4.846 10.770 4.656 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.020 11.251 6.361 1.00 1.50 H new ATOM 0 HD23 LEU B 102 6.124 10.045 5.659 1.00 1.50 H new ATOM 2077 N ASN B 103 2.392 8.530 9.596 1.00 1.25 N ATOM 2078 CA ASN B 103 1.697 7.803 10.649 1.00 1.31 C ATOM 2079 C ASN B 103 2.228 6.375 10.743 1.00 1.23 C ATOM 2080 O ASN B 103 2.463 5.736 9.716 1.00 1.14 O ATOM 2081 CB ASN B 103 0.187 7.789 10.380 1.00 1.37 C ATOM 2082 CG ASN B 103 -0.608 7.225 11.542 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -0.747 6.011 11.679 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -1.142 8.100 12.378 1.00 1.84 N ATOM 0 H ASN B 103 1.880 8.595 8.717 1.00 1.25 H new ATOM 0 HA ASN B 103 1.878 8.308 11.598 1.00 1.31 H new ATOM 0 HB2 ASN B 103 -0.151 8.804 10.173 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -0.014 7.198 9.487 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -1.693 7.775 13.172 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -1.002 9.099 12.228 1.00 1.84 H new ATOM 2091 N PRO B 104 2.440 5.865 11.973 1.00 1.29 N ATOM 2092 CA PRO B 104 2.949 4.503 12.212 1.00 1.25 C ATOM 2093 C PRO B 104 2.210 3.412 11.432 1.00 1.19 C ATOM 2094 O PRO B 104 2.781 2.364 11.136 1.00 1.15 O ATOM 2095 CB PRO B 104 2.739 4.313 13.714 1.00 1.34 C ATOM 2096 CG PRO B 104 2.824 5.687 14.280 1.00 1.55 C ATOM 2097 CD PRO B 104 2.237 6.600 13.238 1.00 1.41 C ATOM 0 HA PRO B 104 3.983 4.409 11.879 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.772 3.856 13.925 1.00 1.34 H new ATOM 0 HB3 PRO B 104 3.500 3.660 14.142 1.00 1.34 H new ATOM 0 HG2 PRO B 104 2.272 5.758 15.217 1.00 1.55 H new ATOM 0 HG3 PRO B 104 3.858 5.956 14.498 1.00 1.55 H new ATOM 0 HD2 PRO B 104 1.180 6.793 13.424 1.00 1.41 H new ATOM 0 HD3 PRO B 104 2.740 7.567 13.224 1.00 1.41 H new ATOM 2105 N MET B 105 0.951 3.658 11.093 1.00 1.21 N ATOM 2106 CA MET B 105 0.158 2.679 10.352 1.00 1.20 C ATOM 2107 C MET B 105 0.700 2.487 8.932 1.00 1.13 C ATOM 2108 O MET B 105 0.586 1.404 8.356 1.00 1.16 O ATOM 2109 CB MET B 105 -1.313 3.107 10.304 1.00 1.27 C ATOM 2110 CG MET B 105 -2.220 2.091 9.626 1.00 1.26 C ATOM 2111 SD MET B 105 -3.968 2.514 9.756 1.00 1.64 S ATOM 2112 CE MET B 105 -4.689 1.256 8.706 1.00 1.78 C ATOM 0 H MET B 105 0.457 4.522 11.317 1.00 1.21 H new ATOM 0 HA MET B 105 0.231 1.725 10.874 1.00 1.20 H new ATOM 0 HB2 MET B 105 -1.667 3.276 11.321 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.389 4.058 9.777 1.00 1.27 H new ATOM 0 HG2 MET B 105 -1.947 2.014 8.573 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.055 1.110 10.071 1.00 1.26 H new ATOM 0 HE1 MET B 105 -5.775 1.347 8.722 1.00 1.78 H new ATOM 0 HE2 MET B 105 -4.330 1.384 7.685 1.00 1.78 H new ATOM 0 HE3 MET B 105 -4.402 0.270 9.070 1.00 1.78 H new ATOM 2122 N PHE B 106 1.319 3.529 8.389 1.00 1.06 N ATOM 2123 CA PHE B 106 1.875 3.477 7.040 1.00 1.02 C ATOM 2124 C PHE B 106 3.106 2.576 6.978 1.00 0.94 C ATOM 2125 O PHE B 106 3.526 2.167 5.895 1.00 0.87 O ATOM 2126 CB PHE B 106 2.246 4.881 6.559 1.00 1.07 C ATOM 2127 CG PHE B 106 1.120 5.615 5.889 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.812 5.370 4.562 1.00 1.28 C ATOM 2129 CD2 PHE B 106 0.375 6.552 6.585 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -0.220 6.045 3.939 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -0.660 7.230 5.969 1.00 1.45 C ATOM 2132 CZ PHE B 106 -0.957 6.977 4.644 1.00 1.49 C ATOM 0 H PHE B 106 1.449 4.423 8.863 1.00 1.06 H new ATOM 0 HA PHE B 106 1.108 3.060 6.387 1.00 1.02 H new ATOM 0 HB2 PHE B 106 2.591 5.466 7.411 1.00 1.07 H new ATOM 0 HB3 PHE B 106 3.082 4.807 5.864 1.00 1.07 H new ATOM 0 HD1 PHE B 106 1.385 4.642 4.007 1.00 1.28 H new ATOM 0 HD2 PHE B 106 0.605 6.755 7.620 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -0.450 5.845 2.903 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -1.236 7.957 6.523 1.00 1.45 H new ATOM 0 HZ PHE B 106 -1.764 7.507 4.160 1.00 1.49 H new ATOM 2142 N LEU B 107 3.673 2.271 8.142 1.00 0.98 N ATOM 2143 CA LEU B 107 4.862 1.424 8.228 1.00 0.93 C ATOM 2144 C LEU B 107 4.625 0.070 7.569 1.00 0.89 C ATOM 2145 O LEU B 107 5.368 -0.332 6.680 1.00 0.84 O ATOM 2146 CB LEU B 107 5.260 1.220 9.694 1.00 1.01 C ATOM 2147 CG LEU B 107 6.419 0.246 9.935 1.00 0.95 C ATOM 2148 CD1 LEU B 107 7.716 0.813 9.386 1.00 0.94 C ATOM 2149 CD2 LEU B 107 6.558 -0.056 11.419 1.00 1.08 C ATOM 0 H LEU B 107 3.327 2.599 9.044 1.00 0.98 H new ATOM 0 HA LEU B 107 5.670 1.928 7.698 1.00 0.93 H new ATOM 0 HB2 LEU B 107 5.528 2.188 10.117 1.00 1.01 H new ATOM 0 HB3 LEU B 107 4.388 0.863 10.242 1.00 1.01 H new ATOM 0 HG LEU B 107 6.201 -0.684 9.410 1.00 0.95 H new ATOM 0 HD11 LEU B 107 8.527 0.107 9.567 1.00 0.94 H new ATOM 0 HD12 LEU B 107 7.614 0.982 8.314 1.00 0.94 H new ATOM 0 HD13 LEU B 107 7.939 1.757 9.883 1.00 0.94 H new ATOM 0 HD21 LEU B 107 7.385 -0.749 11.573 1.00 1.08 H new ATOM 0 HD22 LEU B 107 6.753 0.869 11.962 1.00 1.08 H new ATOM 0 HD23 LEU B 107 5.635 -0.505 11.787 1.00 1.08 H new ATOM 2161 N ASP B 108 3.572 -0.613 7.996 1.00 0.96 N ATOM 2162 CA ASP B 108 3.247 -1.931 7.463 1.00 0.96 C ATOM 2163 C ASP B 108 2.870 -1.856 5.984 1.00 0.90 C ATOM 2164 O ASP B 108 3.191 -2.755 5.207 1.00 0.88 O ATOM 2165 CB ASP B 108 2.109 -2.563 8.268 1.00 1.09 C ATOM 2166 CG ASP B 108 1.738 -3.944 7.765 1.00 1.08 C ATOM 2167 OD1 ASP B 108 2.623 -4.823 7.696 1.00 1.40 O ATOM 2168 OD2 ASP B 108 0.552 -4.165 7.444 1.00 1.22 O ATOM 0 H ASP B 108 2.927 -0.277 8.711 1.00 0.96 H new ATOM 0 HA ASP B 108 4.136 -2.556 7.551 1.00 0.96 H new ATOM 0 HB2 ASP B 108 2.402 -2.628 9.316 1.00 1.09 H new ATOM 0 HB3 ASP B 108 1.233 -1.916 8.222 1.00 1.09 H new ATOM 2173 N GLN B 109 2.212 -0.767 5.598 1.00 0.91 N ATOM 2174 CA GLN B 109 1.787 -0.573 4.215 1.00 0.90 C ATOM 2175 C GLN B 109 2.978 -0.595 3.257 1.00 0.86 C ATOM 2176 O GLN B 109 2.975 -1.328 2.267 1.00 0.91 O ATOM 2177 CB GLN B 109 1.017 0.746 4.071 1.00 0.96 C ATOM 2178 CG GLN B 109 0.913 1.239 2.632 1.00 0.92 C ATOM 2179 CD GLN B 109 0.035 2.468 2.482 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -0.979 2.610 3.160 1.00 1.34 O ATOM 2181 NE2 GLN B 109 0.424 3.369 1.591 1.00 1.66 N ATOM 0 H GLN B 109 1.961 -0.003 6.225 1.00 0.91 H new ATOM 0 HA GLN B 109 1.127 -1.400 3.952 1.00 0.90 H new ATOM 0 HB2 GLN B 109 0.013 0.617 4.475 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.507 1.511 4.674 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.912 1.467 2.260 1.00 0.92 H new ATOM 0 HG3 GLN B 109 0.515 0.438 2.008 1.00 0.92 H new ATOM 0 HE21 GLN B 109 1.273 3.215 1.047 1.00 1.66 H new ATOM 0 HE22 GLN B 109 -0.125 4.217 1.450 1.00 1.66 H new ATOM 2190 N VAL B 110 3.999 0.196 3.557 1.00 0.80 N ATOM 2191 CA VAL B 110 5.176 0.262 2.703 1.00 0.79 C ATOM 2192 C VAL B 110 6.093 -0.936 2.925 1.00 0.76 C ATOM 2193 O VAL B 110 6.794 -1.368 2.007 1.00 0.79 O ATOM 2194 CB VAL B 110 5.965 1.572 2.907 1.00 0.80 C ATOM 2195 CG1 VAL B 110 5.170 2.758 2.387 1.00 0.91 C ATOM 2196 CG2 VAL B 110 6.325 1.774 4.370 1.00 0.75 C ATOM 0 H VAL B 110 4.036 0.797 4.380 1.00 0.80 H new ATOM 0 HA VAL B 110 4.814 0.240 1.675 1.00 0.79 H new ATOM 0 HB VAL B 110 6.893 1.497 2.340 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.741 3.674 2.539 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.973 2.626 1.323 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.225 2.827 2.925 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.880 2.705 4.483 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.414 1.821 4.966 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.940 0.941 4.712 1.00 0.75 H new ATOM 2206 N ALA B 111 6.075 -1.482 4.137 1.00 0.75 N ATOM 2207 CA ALA B 111 6.906 -2.633 4.466 1.00 0.75 C ATOM 2208 C ALA B 111 6.465 -3.858 3.674 1.00 0.75 C ATOM 2209 O ALA B 111 7.299 -4.635 3.214 1.00 0.75 O ATOM 2210 CB ALA B 111 6.861 -2.923 5.958 1.00 0.77 C ATOM 0 H ALA B 111 5.495 -1.146 4.906 1.00 0.75 H new ATOM 0 HA ALA B 111 7.934 -2.396 4.193 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.489 -3.786 6.180 1.00 0.77 H new ATOM 0 HB2 ALA B 111 7.228 -2.057 6.508 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.834 -3.135 6.257 1.00 0.77 H new ATOM 2216 N LYS B 112 5.149 -4.021 3.518 1.00 0.76 N ATOM 2217 CA LYS B 112 4.595 -5.152 2.778 1.00 0.77 C ATOM 2218 C LYS B 112 5.168 -5.223 1.368 1.00 0.78 C ATOM 2219 O LYS B 112 5.504 -6.302 0.888 1.00 0.83 O ATOM 2220 CB LYS B 112 3.067 -5.064 2.708 1.00 0.80 C ATOM 2221 CG LYS B 112 2.354 -5.518 3.975 1.00 0.85 C ATOM 2222 CD LYS B 112 2.896 -6.845 4.486 1.00 0.93 C ATOM 2223 CE LYS B 112 1.889 -7.560 5.372 1.00 1.04 C ATOM 2224 NZ LYS B 112 1.264 -6.643 6.359 1.00 1.14 N ATOM 0 H LYS B 112 4.449 -3.382 3.895 1.00 0.76 H new ATOM 0 HA LYS B 112 4.874 -6.059 3.314 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.784 -4.033 2.495 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.718 -5.670 1.872 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.467 -4.758 4.748 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.287 -5.614 3.776 1.00 0.85 H new ATOM 0 HD2 LYS B 112 3.154 -7.483 3.640 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.815 -6.671 5.046 1.00 0.93 H new ATOM 0 HE2 LYS B 112 1.113 -8.007 4.751 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.385 -8.376 5.899 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.966 -7.184 7.195 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 1.953 -5.918 6.644 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 0.435 -6.184 5.930 1.00 1.14 H new ATOM 2238 N PHE B 113 5.289 -4.071 0.714 1.00 0.78 N ATOM 2239 CA PHE B 113 5.824 -4.016 -0.642 1.00 0.83 C ATOM 2240 C PHE B 113 7.273 -4.486 -0.653 1.00 0.84 C ATOM 2241 O PHE B 113 7.676 -5.281 -1.500 1.00 0.95 O ATOM 2242 CB PHE B 113 5.728 -2.596 -1.204 1.00 0.87 C ATOM 2243 CG PHE B 113 6.108 -2.493 -2.657 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.201 -2.830 -3.647 1.00 1.76 C ATOM 2245 CD2 PHE B 113 7.372 -2.063 -3.032 1.00 1.29 C ATOM 2246 CE1 PHE B 113 5.543 -2.742 -4.983 1.00 2.06 C ATOM 2247 CE2 PHE B 113 7.720 -1.974 -4.367 1.00 1.57 C ATOM 2248 CZ PHE B 113 6.805 -2.314 -5.344 1.00 1.78 C ATOM 0 H PHE B 113 5.024 -3.165 1.101 1.00 0.78 H new ATOM 0 HA PHE B 113 5.231 -4.678 -1.273 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.708 -2.233 -1.078 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.374 -1.940 -0.621 1.00 0.87 H new ATOM 0 HD1 PHE B 113 4.212 -3.166 -3.371 1.00 1.76 H new ATOM 0 HD2 PHE B 113 8.092 -1.795 -2.273 1.00 1.29 H new ATOM 0 HE1 PHE B 113 4.824 -3.008 -5.744 1.00 2.06 H new ATOM 0 HE2 PHE B 113 8.708 -1.638 -4.646 1.00 1.57 H new ATOM 0 HZ PHE B 113 7.076 -2.245 -6.387 1.00 1.78 H new ATOM 2258 N ILE B 114 8.044 -3.995 0.309 1.00 0.75 N ATOM 2259 CA ILE B 114 9.448 -4.361 0.428 1.00 0.79 C ATOM 2260 C ILE B 114 9.590 -5.861 0.679 1.00 0.85 C ATOM 2261 O ILE B 114 10.474 -6.521 0.123 1.00 0.93 O ATOM 2262 CB ILE B 114 10.128 -3.583 1.572 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.999 -2.073 1.340 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.589 -3.983 1.692 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.565 -1.230 2.467 1.00 0.69 C ATOM 0 H ILE B 114 7.718 -3.340 1.020 1.00 0.75 H new ATOM 0 HA ILE B 114 9.938 -4.104 -0.511 1.00 0.79 H new ATOM 0 HB ILE B 114 9.627 -3.832 2.507 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.509 -1.812 0.413 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.946 -1.824 1.206 1.00 0.72 H new ATOM 0 HG21 ILE B 114 12.054 -3.424 2.504 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.658 -5.051 1.900 1.00 0.89 H new ATOM 0 HG23 ILE B 114 12.105 -3.761 0.758 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.437 -0.174 2.231 1.00 0.69 H new ATOM 0 HD12 ILE B 114 10.039 -1.461 3.393 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.626 -1.449 2.588 1.00 0.69 H new ATOM 2277 N ILE B 115 8.705 -6.390 1.514 1.00 0.84 N ATOM 2278 CA ILE B 115 8.712 -7.804 1.846 1.00 0.90 C ATOM 2279 C ILE B 115 8.304 -8.645 0.643 1.00 0.98 C ATOM 2280 O ILE B 115 8.996 -9.593 0.284 1.00 1.05 O ATOM 2281 CB ILE B 115 7.767 -8.119 3.028 1.00 0.89 C ATOM 2282 CG1 ILE B 115 8.225 -7.383 4.288 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.704 -9.621 3.287 1.00 0.95 C ATOM 2284 CD1 ILE B 115 7.214 -7.416 5.411 1.00 0.95 C ATOM 0 H ILE B 115 7.969 -5.855 1.975 1.00 0.84 H new ATOM 0 HA ILE B 115 9.732 -8.055 2.138 1.00 0.90 H new ATOM 0 HB ILE B 115 6.767 -7.774 2.765 1.00 0.89 H new ATOM 0 HG12 ILE B 115 9.158 -7.825 4.638 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.440 -6.345 4.034 1.00 0.91 H new ATOM 0 HG21 ILE B 115 7.033 -9.818 4.123 1.00 0.95 H new ATOM 0 HG22 ILE B 115 7.333 -10.129 2.397 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.701 -9.991 3.527 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.608 -6.874 6.271 1.00 0.95 H new ATOM 0 HD12 ILE B 115 6.287 -6.947 5.080 1.00 0.95 H new ATOM 0 HD13 ILE B 115 7.017 -8.450 5.693 1.00 0.95 H new ATOM 2296 N ASP B 116 7.195 -8.281 0.009 1.00 1.03 N ATOM 2297 CA ASP B 116 6.693 -9.028 -1.146 1.00 1.15 C ATOM 2298 C ASP B 116 7.706 -9.041 -2.280 1.00 1.08 C ATOM 2299 O ASP B 116 7.888 -10.061 -2.942 1.00 1.16 O ATOM 2300 CB ASP B 116 5.366 -8.454 -1.638 1.00 1.29 C ATOM 2301 CG ASP B 116 4.543 -9.482 -2.390 1.00 1.56 C ATOM 2302 OD1 ASP B 116 4.043 -10.426 -1.742 1.00 1.57 O ATOM 2303 OD2 ASP B 116 4.405 -9.359 -3.623 1.00 2.13 O ATOM 0 H ASP B 116 6.626 -7.476 0.272 1.00 1.03 H new ATOM 0 HA ASP B 116 6.529 -10.055 -0.819 1.00 1.15 H new ATOM 0 HB2 ASP B 116 4.794 -8.084 -0.787 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.559 -7.600 -2.287 1.00 1.29 H new ATOM 2308 N ASN B 117 8.383 -7.917 -2.476 1.00 0.95 N ATOM 2309 CA ASN B 117 9.392 -7.784 -3.527 1.00 0.93 C ATOM 2310 C ASN B 117 10.447 -8.887 -3.437 1.00 0.95 C ATOM 2311 O ASN B 117 10.947 -9.361 -4.455 1.00 1.00 O ATOM 2312 CB ASN B 117 10.066 -6.410 -3.435 1.00 0.97 C ATOM 2313 CG ASN B 117 11.168 -6.213 -4.467 1.00 1.17 C ATOM 2314 OD1 ASN B 117 10.908 -5.813 -5.601 1.00 1.29 O ATOM 2315 ND2 ASN B 117 12.406 -6.475 -4.075 1.00 1.38 N ATOM 0 H ASN B 117 8.252 -7.074 -1.916 1.00 0.95 H new ATOM 0 HA ASN B 117 8.887 -7.880 -4.488 1.00 0.93 H new ATOM 0 HB2 ASN B 117 9.312 -5.633 -3.565 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.485 -6.284 -2.437 1.00 0.97 H new ATOM 0 HD21 ASN B 117 13.184 -6.347 -4.722 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.581 -6.805 -3.126 1.00 1.38 H new ATOM 2322 N THR B 118 10.773 -9.302 -2.222 1.00 1.00 N ATOM 2323 CA THR B 118 11.778 -10.340 -2.024 1.00 1.12 C ATOM 2324 C THR B 118 11.136 -11.682 -1.670 1.00 1.21 C ATOM 2325 O THR B 118 11.796 -12.721 -1.679 1.00 1.37 O ATOM 2326 CB THR B 118 12.774 -9.937 -0.921 1.00 1.19 C ATOM 2327 OG1 THR B 118 12.093 -9.210 0.112 1.00 1.29 O ATOM 2328 CG2 THR B 118 13.896 -9.081 -1.490 1.00 1.57 C ATOM 0 H THR B 118 10.360 -8.940 -1.362 1.00 1.00 H new ATOM 0 HA THR B 118 12.314 -10.451 -2.966 1.00 1.12 H new ATOM 0 HB THR B 118 13.207 -10.846 -0.504 1.00 1.19 H new ATOM 0 HG1 THR B 118 12.732 -8.958 0.811 1.00 1.29 H new ATOM 0 HG21 THR B 118 14.587 -8.809 -0.692 1.00 1.57 H new ATOM 0 HG22 THR B 118 14.430 -9.643 -2.256 1.00 1.57 H new ATOM 0 HG23 THR B 118 13.476 -8.177 -1.930 1.00 1.57 H new ATOM 2336 N LYS B 119 9.847 -11.649 -1.369 1.00 1.22 N ATOM 2337 CA LYS B 119 9.110 -12.848 -0.994 1.00 1.37 C ATOM 2338 C LYS B 119 8.549 -13.567 -2.222 1.00 1.41 C ATOM 2339 O LYS B 119 8.663 -14.786 -2.339 1.00 1.65 O ATOM 2340 CB LYS B 119 7.976 -12.472 -0.034 1.00 1.44 C ATOM 2341 CG LYS B 119 7.058 -13.625 0.336 1.00 1.57 C ATOM 2342 CD LYS B 119 6.032 -13.207 1.385 1.00 1.83 C ATOM 2343 CE LYS B 119 5.134 -12.075 0.897 1.00 1.82 C ATOM 2344 NZ LYS B 119 4.258 -12.494 -0.232 1.00 1.87 N ATOM 0 H LYS B 119 9.285 -10.798 -1.377 1.00 1.22 H new ATOM 0 HA LYS B 119 9.797 -13.533 -0.497 1.00 1.37 H new ATOM 0 HB2 LYS B 119 8.410 -12.062 0.878 1.00 1.44 H new ATOM 0 HB3 LYS B 119 7.380 -11.680 -0.488 1.00 1.44 H new ATOM 0 HG2 LYS B 119 6.543 -13.983 -0.556 1.00 1.57 H new ATOM 0 HG3 LYS B 119 7.651 -14.456 0.717 1.00 1.57 H new ATOM 0 HD2 LYS B 119 5.417 -14.067 1.651 1.00 1.83 H new ATOM 0 HD3 LYS B 119 6.550 -12.892 2.291 1.00 1.83 H new ATOM 0 HE2 LYS B 119 4.515 -11.724 1.723 1.00 1.82 H new ATOM 0 HE3 LYS B 119 5.752 -11.234 0.582 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 4.399 -11.851 -1.037 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 4.500 -13.465 -0.517 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 3.263 -12.459 0.069 1.00 1.87 H new ATOM 2358 N GLY B 120 7.946 -12.809 -3.129 1.00 1.52 N ATOM 2359 CA GLY B 120 7.371 -13.393 -4.322 1.00 1.69 C ATOM 2360 C GLY B 120 6.284 -12.520 -4.914 1.00 1.69 C ATOM 2361 O GLY B 120 6.471 -11.314 -5.024 1.00 2.16 O ATOM 0 H GLY B 120 7.845 -11.796 -3.058 1.00 1.52 H new ATOM 0 HA2 GLY B 120 8.155 -13.549 -5.063 1.00 1.69 H new ATOM 0 HA3 GLY B 120 6.959 -14.373 -4.083 1.00 1.69 H new ATOM 2365 N GLN B 121 5.175 -13.150 -5.307 1.00 1.54 N ATOM 2366 CA GLN B 121 3.998 -12.476 -5.887 1.00 1.83 C ATOM 2367 C GLN B 121 4.343 -11.359 -6.877 1.00 1.53 C ATOM 2368 O GLN B 121 4.454 -11.608 -8.081 1.00 1.76 O ATOM 2369 CB GLN B 121 3.089 -11.945 -4.777 1.00 2.41 C ATOM 2370 CG GLN B 121 2.510 -13.043 -3.900 1.00 3.25 C ATOM 2371 CD GLN B 121 1.457 -12.540 -2.933 1.00 3.93 C ATOM 2372 OE1 GLN B 121 0.715 -11.605 -3.234 1.00 4.44 O ATOM 2373 NE2 GLN B 121 1.371 -13.169 -1.772 1.00 4.31 N ATOM 0 H GLN B 121 5.062 -14.161 -5.232 1.00 1.54 H new ATOM 0 HA GLN B 121 3.472 -13.235 -6.466 1.00 1.83 H new ATOM 0 HB2 GLN B 121 3.654 -11.252 -4.154 1.00 2.41 H new ATOM 0 HB3 GLN B 121 2.273 -11.378 -5.225 1.00 2.41 H new ATOM 0 HG2 GLN B 121 2.073 -13.814 -4.535 1.00 3.25 H new ATOM 0 HG3 GLN B 121 3.316 -13.513 -3.337 1.00 3.25 H new ATOM 0 HE21 GLN B 121 2.005 -13.940 -1.561 1.00 4.31 H new ATOM 0 HE22 GLN B 121 0.670 -12.883 -1.088 1.00 4.31 H new ATOM 2382 N MET B 122 4.516 -10.136 -6.372 1.00 1.52 N ATOM 2383 CA MET B 122 4.828 -8.984 -7.217 1.00 1.72 C ATOM 2384 C MET B 122 6.115 -9.195 -8.018 1.00 1.91 C ATOM 2385 O MET B 122 6.272 -8.637 -9.104 1.00 2.38 O ATOM 2386 CB MET B 122 4.942 -7.702 -6.378 1.00 2.18 C ATOM 2387 CG MET B 122 6.159 -7.664 -5.463 1.00 2.58 C ATOM 2388 SD MET B 122 6.782 -5.991 -5.202 1.00 3.62 S ATOM 2389 CE MET B 122 7.530 -5.661 -6.794 1.00 3.50 C ATOM 0 H MET B 122 4.445 -9.918 -5.378 1.00 1.52 H new ATOM 0 HA MET B 122 4.004 -8.877 -7.922 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.978 -6.844 -7.049 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.042 -7.596 -5.772 1.00 2.18 H new ATOM 0 HG2 MET B 122 5.899 -8.105 -4.501 1.00 2.58 H new ATOM 0 HG3 MET B 122 6.950 -8.279 -5.892 1.00 2.58 H new ATOM 0 HE1 MET B 122 8.249 -4.848 -6.696 1.00 3.50 H new ATOM 0 HE2 MET B 122 8.040 -6.556 -7.149 1.00 3.50 H new ATOM 0 HE3 MET B 122 6.756 -5.377 -7.508 1.00 3.50 H new