USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 180:sc= -0.644 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.599 K(o=-0.044,f=-7.3!) USER MOD Set 2.1: A 40 TYR OH : rot -130:sc= -0.968 USER MOD Set 2.2: A 77 MET CE :methyl -152:sc= -2.21! (180deg=-0.876) USER MOD Set 3.1: A 36 HIS :FLIP no HE2:sc= -0.5 F(o=-1.2,f=-0.39) USER MOD Set 3.2: A 38 SER OG : rot 86:sc= 0.111 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.465 F(o=-1.1,f=-0.47) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -168:sc= -0.0624 (180deg=-0.42) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.108 (180deg=-0.543) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -81:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.51) USER MOD Single : A 39 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 41 MET CE :methyl 167:sc= -0.0583 (180deg=-0.362) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.15 X(o=0.15,f=-0.32) USER MOD Single : A 55 TYR OH : rot 80:sc= -0.0486 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0715 X(o=-0.072,f=-0.0046) USER MOD Single : A 82 SER OG : rot 98:sc= 1.28 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -167:sc= -0.0193 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.295 F(o=-1.1,f=-0.3) USER MOD Single : A 94 ASN : amide:sc=-0.00353 X(o=-0.0035,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.6) USER MOD Single : A 129 HIS :FLIP no HE2:sc= -1.45 F(o=-3.5,f=-1.5) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN :FLIP amide:sc= -1.83! C(o=-3.4!,f=-1.8!) USER MOD Single : A 139 LYS NZ :NH3+ 174:sc= 1.71 (180deg=1.45) USER MOD Single : A 144 GLN : amide:sc= 0.872 K(o=0.87,f=-0.15) USER MOD Single : A 145 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0572) USER MOD Single : A 150 SER OG : rot 180:sc= -0.158 USER MOD Single : A 156 SER OG : rot -140:sc= 0.0241 USER MOD Single : A 161 CYS SG : rot 180:sc= -0.0927 USER MOD Single : A 163 ASN : amide:sc= 0.152 K(o=0.15,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 8 2.239 10.220 -3.280 1.00 1.20 N ATOM 66 CA GLN A 8 3.579 10.770 -3.250 1.00 1.13 C ATOM 67 C GLN A 8 3.585 12.221 -3.678 1.00 0.98 C ATOM 68 O GLN A 8 3.193 12.561 -4.795 1.00 0.93 O ATOM 69 CB GLN A 8 4.529 9.949 -4.114 1.00 1.19 C ATOM 70 CG GLN A 8 4.989 8.676 -3.421 1.00 1.42 C ATOM 71 CD GLN A 8 5.693 8.956 -2.105 1.00 1.54 C ATOM 72 OE1 GLN A 8 6.440 10.050 -2.049 1.00 2.00 O flip ATOM 73 NE2 GLN A 8 5.595 8.176 -1.158 1.00 1.75 N flip ATOM 0 HA GLN A 8 3.931 10.722 -2.220 1.00 1.13 H new ATOM 0 HB2 GLN A 8 4.033 9.691 -5.050 1.00 1.19 H new ATOM 0 HB3 GLN A 8 5.398 10.555 -4.370 1.00 1.19 H new ATOM 0 HG2 GLN A 8 4.128 8.033 -3.240 1.00 1.42 H new ATOM 0 HG3 GLN A 8 5.662 8.129 -4.081 1.00 1.42 H new ATOM 0 HE21 GLN A 8 5.010 7.345 -1.240 1.00 1.75 H new ATOM 0 HE22 GLN A 8 6.099 8.361 -0.291 1.00 1.75 H new ATOM 82 N VAL A 9 4.016 13.067 -2.763 1.00 0.94 N ATOM 83 CA VAL A 9 4.135 14.485 -3.024 1.00 0.81 C ATOM 84 C VAL A 9 5.539 14.787 -3.512 1.00 0.79 C ATOM 85 O VAL A 9 6.521 14.419 -2.866 1.00 0.87 O ATOM 86 CB VAL A 9 3.838 15.316 -1.761 1.00 0.81 C ATOM 87 CG1 VAL A 9 3.724 16.795 -2.099 1.00 1.16 C ATOM 88 CG2 VAL A 9 2.575 14.813 -1.084 1.00 1.27 C ATOM 0 H VAL A 9 4.292 12.790 -1.821 1.00 0.94 H new ATOM 0 HA VAL A 9 3.404 14.756 -3.786 1.00 0.81 H new ATOM 0 HB VAL A 9 4.670 15.198 -1.066 1.00 0.81 H new ATOM 0 HG11 VAL A 9 3.514 17.361 -1.191 1.00 1.16 H new ATOM 0 HG12 VAL A 9 4.661 17.142 -2.534 1.00 1.16 H new ATOM 0 HG13 VAL A 9 2.915 16.943 -2.814 1.00 1.16 H new ATOM 0 HG21 VAL A 9 2.377 15.409 -0.193 1.00 1.27 H new ATOM 0 HG22 VAL A 9 1.734 14.899 -1.772 1.00 1.27 H new ATOM 0 HG23 VAL A 9 2.706 13.769 -0.800 1.00 1.27 H new ATOM 98 N TYR A 10 5.633 15.441 -4.646 1.00 0.71 N ATOM 99 CA TYR A 10 6.921 15.707 -5.246 1.00 0.71 C ATOM 100 C TYR A 10 7.352 17.119 -4.906 1.00 0.62 C ATOM 101 O TYR A 10 6.543 18.045 -4.928 1.00 0.57 O ATOM 102 CB TYR A 10 6.841 15.507 -6.758 1.00 0.74 C ATOM 103 CG TYR A 10 6.119 14.234 -7.149 1.00 0.83 C ATOM 104 CD1 TYR A 10 6.515 13.000 -6.645 1.00 0.95 C ATOM 105 CD2 TYR A 10 5.040 14.269 -8.022 1.00 0.84 C ATOM 106 CE1 TYR A 10 5.855 11.839 -6.997 1.00 1.04 C ATOM 107 CE2 TYR A 10 4.375 13.111 -8.380 1.00 0.94 C ATOM 108 CZ TYR A 10 4.786 11.898 -7.867 1.00 1.03 C ATOM 109 OH TYR A 10 4.126 10.740 -8.221 1.00 1.14 O ATOM 0 H TYR A 10 4.835 15.798 -5.171 1.00 0.71 H new ATOM 0 HA TYR A 10 7.663 15.012 -4.851 1.00 0.71 H new ATOM 0 HB2 TYR A 10 6.330 16.360 -7.205 1.00 0.74 H new ATOM 0 HB3 TYR A 10 7.850 15.487 -7.170 1.00 0.74 H new ATOM 0 HD1 TYR A 10 7.354 12.949 -5.966 1.00 0.95 H new ATOM 0 HD2 TYR A 10 4.715 15.216 -8.428 1.00 0.84 H new ATOM 0 HE1 TYR A 10 6.174 10.890 -6.593 1.00 1.04 H new ATOM 0 HE2 TYR A 10 3.536 13.156 -9.059 1.00 0.94 H new ATOM 0 HH TYR A 10 3.397 10.955 -8.840 1.00 1.14 H new ATOM 119 N ARG A 11 8.616 17.285 -4.577 1.00 0.66 N ATOM 120 CA ARG A 11 9.118 18.576 -4.169 1.00 0.64 C ATOM 121 C ARG A 11 10.086 19.109 -5.216 1.00 0.56 C ATOM 122 O ARG A 11 10.824 18.345 -5.832 1.00 0.66 O ATOM 123 CB ARG A 11 9.783 18.451 -2.797 1.00 0.85 C ATOM 124 CG ARG A 11 10.137 19.780 -2.160 1.00 0.85 C ATOM 125 CD ARG A 11 10.457 19.613 -0.684 1.00 1.11 C ATOM 126 NE ARG A 11 9.299 19.130 0.074 1.00 1.37 N ATOM 127 CZ ARG A 11 9.360 18.263 1.084 1.00 1.76 C ATOM 128 NH1 ARG A 11 10.523 17.745 1.466 1.00 2.15 N ATOM 129 NH2 ARG A 11 8.248 17.919 1.711 1.00 2.31 N ATOM 0 H ARG A 11 9.313 16.540 -4.585 1.00 0.66 H new ATOM 0 HA ARG A 11 8.296 19.287 -4.085 1.00 0.64 H new ATOM 0 HB2 ARG A 11 9.115 17.906 -2.129 1.00 0.85 H new ATOM 0 HB3 ARG A 11 10.690 17.855 -2.897 1.00 0.85 H new ATOM 0 HG2 ARG A 11 10.994 20.216 -2.674 1.00 0.85 H new ATOM 0 HG3 ARG A 11 9.306 20.476 -2.278 1.00 0.85 H new ATOM 0 HD2 ARG A 11 11.284 18.913 -0.569 1.00 1.11 H new ATOM 0 HD3 ARG A 11 10.787 20.567 -0.274 1.00 1.11 H new ATOM 0 HE ARG A 11 8.380 19.483 -0.191 1.00 1.37 H new ATOM 0 HH11 ARG A 11 11.382 18.010 0.984 1.00 2.15 H new ATOM 0 HH12 ARG A 11 10.556 17.082 2.241 1.00 2.15 H new ATOM 0 HH21 ARG A 11 7.355 18.316 1.420 1.00 2.31 H new ATOM 0 HH22 ARG A 11 8.283 17.256 2.485 1.00 2.31 H new ATOM 143 N GLY A 12 10.055 20.410 -5.436 1.00 0.46 N ATOM 144 CA GLY A 12 10.906 21.008 -6.437 1.00 0.45 C ATOM 145 C GLY A 12 11.113 22.480 -6.182 1.00 0.44 C ATOM 146 O GLY A 12 10.731 22.993 -5.131 1.00 0.50 O ATOM 0 H GLY A 12 9.453 21.065 -4.937 1.00 0.46 H new ATOM 0 HA2 GLY A 12 11.871 20.500 -6.446 1.00 0.45 H new ATOM 0 HA3 GLY A 12 10.463 20.868 -7.423 1.00 0.45 H new ATOM 150 N PHE A 13 11.708 23.161 -7.143 1.00 0.44 N ATOM 151 CA PHE A 13 11.995 24.580 -7.008 1.00 0.46 C ATOM 152 C PHE A 13 11.648 25.318 -8.300 1.00 0.43 C ATOM 153 O PHE A 13 11.878 24.807 -9.396 1.00 0.45 O ATOM 154 CB PHE A 13 13.468 24.803 -6.614 1.00 0.57 C ATOM 155 CG PHE A 13 14.348 23.596 -6.825 1.00 0.57 C ATOM 156 CD1 PHE A 13 15.025 23.418 -8.019 1.00 0.63 C ATOM 157 CD2 PHE A 13 14.492 22.629 -5.831 1.00 0.58 C ATOM 158 CE1 PHE A 13 15.825 22.308 -8.221 1.00 0.68 C ATOM 159 CE2 PHE A 13 15.288 21.526 -6.029 1.00 0.63 C ATOM 160 CZ PHE A 13 15.954 21.361 -7.225 1.00 0.67 C ATOM 0 H PHE A 13 12.004 22.754 -8.030 1.00 0.44 H new ATOM 0 HA PHE A 13 11.374 24.987 -6.210 1.00 0.46 H new ATOM 0 HB2 PHE A 13 13.866 25.636 -7.193 1.00 0.57 H new ATOM 0 HB3 PHE A 13 13.513 25.094 -5.564 1.00 0.57 H new ATOM 0 HD1 PHE A 13 14.927 24.155 -8.803 1.00 0.63 H new ATOM 0 HD2 PHE A 13 13.971 22.748 -4.893 1.00 0.58 H new ATOM 0 HE1 PHE A 13 16.348 22.182 -9.157 1.00 0.68 H new ATOM 0 HE2 PHE A 13 15.392 20.788 -5.247 1.00 0.63 H new ATOM 0 HZ PHE A 13 16.576 20.492 -7.382 1.00 0.67 H new ATOM 170 N ILE A 14 11.067 26.507 -8.155 1.00 0.42 N ATOM 171 CA ILE A 14 10.604 27.299 -9.297 1.00 0.42 C ATOM 172 C ILE A 14 11.764 27.677 -10.215 1.00 0.48 C ATOM 173 O ILE A 14 12.684 28.380 -9.798 1.00 0.56 O ATOM 174 CB ILE A 14 9.911 28.602 -8.828 1.00 0.43 C ATOM 175 CG1 ILE A 14 8.789 28.293 -7.828 1.00 0.41 C ATOM 176 CG2 ILE A 14 9.366 29.380 -10.021 1.00 0.46 C ATOM 177 CD1 ILE A 14 7.620 27.537 -8.420 1.00 0.38 C ATOM 0 H ILE A 14 10.904 26.948 -7.250 1.00 0.42 H new ATOM 0 HA ILE A 14 9.893 26.678 -9.842 1.00 0.42 H new ATOM 0 HB ILE A 14 10.655 29.220 -8.325 1.00 0.43 H new ATOM 0 HG12 ILE A 14 9.203 27.712 -7.004 1.00 0.41 H new ATOM 0 HG13 ILE A 14 8.425 29.230 -7.407 1.00 0.41 H new ATOM 0 HG21 ILE A 14 8.883 30.292 -9.671 1.00 0.46 H new ATOM 0 HG22 ILE A 14 10.185 29.638 -10.692 1.00 0.46 H new ATOM 0 HG23 ILE A 14 8.640 28.767 -10.554 1.00 0.46 H new ATOM 0 HD11 ILE A 14 6.872 27.359 -7.647 1.00 0.38 H new ATOM 0 HD12 ILE A 14 7.177 28.124 -9.225 1.00 0.38 H new ATOM 0 HD13 ILE A 14 7.967 26.582 -8.815 1.00 0.38 H new ATOM 189 N ALA A 15 11.719 27.219 -11.459 1.00 0.49 N ATOM 190 CA ALA A 15 12.770 27.530 -12.414 1.00 0.58 C ATOM 191 C ALA A 15 12.418 28.771 -13.230 1.00 0.65 C ATOM 192 O ALA A 15 13.173 29.743 -13.250 1.00 0.76 O ATOM 193 CB ALA A 15 13.038 26.346 -13.328 1.00 0.59 C ATOM 0 H ALA A 15 10.969 26.634 -11.828 1.00 0.49 H new ATOM 0 HA ALA A 15 13.680 27.741 -11.853 1.00 0.58 H new ATOM 0 HB1 ALA A 15 13.828 26.603 -14.034 1.00 0.59 H new ATOM 0 HB2 ALA A 15 13.349 25.489 -12.731 1.00 0.59 H new ATOM 0 HB3 ALA A 15 12.129 26.096 -13.876 1.00 0.59 H new ATOM 199 N VAL A 16 11.273 28.746 -13.903 1.00 0.66 N ATOM 200 CA VAL A 16 10.846 29.891 -14.705 1.00 0.78 C ATOM 201 C VAL A 16 9.500 30.405 -14.211 1.00 0.69 C ATOM 202 O VAL A 16 8.770 29.691 -13.523 1.00 0.67 O ATOM 203 CB VAL A 16 10.747 29.557 -16.215 1.00 0.94 C ATOM 204 CG1 VAL A 16 11.975 28.800 -16.689 1.00 1.55 C ATOM 205 CG2 VAL A 16 9.479 28.785 -16.523 1.00 1.42 C ATOM 0 H VAL A 16 10.629 27.955 -13.911 1.00 0.66 H new ATOM 0 HA VAL A 16 11.609 30.661 -14.587 1.00 0.78 H new ATOM 0 HB VAL A 16 10.704 30.499 -16.761 1.00 0.94 H new ATOM 0 HG11 VAL A 16 11.878 28.579 -17.752 1.00 1.55 H new ATOM 0 HG12 VAL A 16 12.864 29.409 -16.524 1.00 1.55 H new ATOM 0 HG13 VAL A 16 12.066 27.868 -16.131 1.00 1.55 H new ATOM 0 HG21 VAL A 16 9.437 28.565 -17.590 1.00 1.42 H new ATOM 0 HG22 VAL A 16 9.475 27.852 -15.960 1.00 1.42 H new ATOM 0 HG23 VAL A 16 8.612 29.382 -16.241 1.00 1.42 H new ATOM 215 N MET A 17 9.179 31.640 -14.564 1.00 0.73 N ATOM 216 CA MET A 17 7.931 32.257 -14.142 1.00 0.71 C ATOM 217 C MET A 17 7.337 33.109 -15.258 1.00 0.81 C ATOM 218 O MET A 17 7.907 34.130 -15.641 1.00 0.89 O ATOM 219 CB MET A 17 8.163 33.119 -12.895 1.00 0.74 C ATOM 220 CG MET A 17 6.929 33.886 -12.447 1.00 1.23 C ATOM 221 SD MET A 17 7.231 34.922 -10.996 1.00 1.42 S ATOM 222 CE MET A 17 7.496 33.677 -9.741 1.00 0.90 C ATOM 0 H MET A 17 9.768 32.237 -15.144 1.00 0.73 H new ATOM 0 HA MET A 17 7.224 31.462 -13.904 1.00 0.71 H new ATOM 0 HB2 MET A 17 8.499 32.479 -12.079 1.00 0.74 H new ATOM 0 HB3 MET A 17 8.967 33.827 -13.097 1.00 0.74 H new ATOM 0 HG2 MET A 17 6.579 34.512 -13.268 1.00 1.23 H new ATOM 0 HG3 MET A 17 6.130 33.179 -12.222 1.00 1.23 H new ATOM 0 HE1 MET A 17 7.483 34.144 -8.756 1.00 0.90 H new ATOM 0 HE2 MET A 17 6.705 32.929 -9.798 1.00 0.90 H new ATOM 0 HE3 MET A 17 8.462 33.198 -9.902 1.00 0.90 H new ATOM 232 N LYS A 18 6.208 32.674 -15.790 1.00 0.83 N ATOM 233 CA LYS A 18 5.467 33.475 -16.741 1.00 0.97 C ATOM 234 C LYS A 18 4.163 33.931 -16.112 1.00 1.03 C ATOM 235 O LYS A 18 3.840 33.536 -14.992 1.00 1.01 O ATOM 236 CB LYS A 18 5.194 32.702 -18.036 1.00 1.02 C ATOM 237 CG LYS A 18 6.068 33.141 -19.198 1.00 1.31 C ATOM 238 CD LYS A 18 7.521 32.740 -18.997 1.00 1.39 C ATOM 239 CE LYS A 18 7.825 31.383 -19.614 1.00 1.29 C ATOM 240 NZ LYS A 18 7.681 31.405 -21.097 1.00 2.03 N ATOM 0 H LYS A 18 5.787 31.770 -15.578 1.00 0.83 H new ATOM 0 HA LYS A 18 6.070 34.345 -17.001 1.00 0.97 H new ATOM 0 HB2 LYS A 18 5.351 31.639 -17.855 1.00 1.02 H new ATOM 0 HB3 LYS A 18 4.147 32.828 -18.311 1.00 1.02 H new ATOM 0 HG2 LYS A 18 5.694 32.699 -20.121 1.00 1.31 H new ATOM 0 HG3 LYS A 18 6.002 34.223 -19.313 1.00 1.31 H new ATOM 0 HD2 LYS A 18 8.171 33.494 -19.441 1.00 1.39 H new ATOM 0 HD3 LYS A 18 7.746 32.713 -17.931 1.00 1.39 H new ATOM 0 HE2 LYS A 18 8.840 31.083 -19.352 1.00 1.29 H new ATOM 0 HE3 LYS A 18 7.153 30.634 -19.195 1.00 1.29 H new ATOM 0 HZ1 LYS A 18 8.297 30.680 -21.516 1.00 2.03 H new ATOM 0 HZ2 LYS A 18 6.692 31.209 -21.353 1.00 2.03 H new ATOM 0 HZ3 LYS A 18 7.953 32.342 -21.458 1.00 2.03 H new ATOM 254 N GLU A 19 3.419 34.745 -16.844 1.00 1.21 N ATOM 255 CA GLU A 19 2.165 35.311 -16.349 1.00 1.32 C ATOM 256 C GLU A 19 1.138 34.215 -16.033 1.00 1.18 C ATOM 257 O GLU A 19 0.357 34.337 -15.092 1.00 1.24 O ATOM 258 CB GLU A 19 1.591 36.277 -17.394 1.00 1.62 C ATOM 259 CG GLU A 19 0.378 37.060 -16.917 1.00 2.11 C ATOM 260 CD GLU A 19 0.727 38.088 -15.858 1.00 2.65 C ATOM 261 OE1 GLU A 19 1.045 39.237 -16.227 1.00 2.89 O ATOM 262 OE2 GLU A 19 0.684 37.759 -14.660 1.00 3.24 O ATOM 0 H GLU A 19 3.661 35.033 -17.792 1.00 1.21 H new ATOM 0 HA GLU A 19 2.376 35.847 -15.424 1.00 1.32 H new ATOM 0 HB2 GLU A 19 2.370 36.980 -17.690 1.00 1.62 H new ATOM 0 HB3 GLU A 19 1.317 35.711 -18.284 1.00 1.62 H new ATOM 0 HG2 GLU A 19 -0.083 37.562 -17.767 1.00 2.11 H new ATOM 0 HG3 GLU A 19 -0.362 36.368 -16.516 1.00 2.11 H new ATOM 269 N ASN A 20 1.147 33.145 -16.820 1.00 1.10 N ATOM 270 CA ASN A 20 0.147 32.092 -16.665 1.00 1.07 C ATOM 271 C ASN A 20 0.751 30.798 -16.134 1.00 0.95 C ATOM 272 O ASN A 20 0.219 30.191 -15.207 1.00 0.97 O ATOM 273 CB ASN A 20 -0.561 31.808 -17.992 1.00 1.19 C ATOM 274 CG ASN A 20 -1.393 32.980 -18.476 1.00 1.48 C ATOM 275 OD1 ASN A 20 -2.539 33.151 -18.075 1.00 2.03 O ATOM 276 ND2 ASN A 20 -0.830 33.786 -19.365 1.00 1.59 N ATOM 0 H ASN A 20 1.826 32.983 -17.564 1.00 1.10 H new ATOM 0 HA ASN A 20 -0.575 32.458 -15.936 1.00 1.07 H new ATOM 0 HB2 ASN A 20 0.182 31.559 -18.749 1.00 1.19 H new ATOM 0 HB3 ASN A 20 -1.204 30.935 -17.876 1.00 1.19 H new ATOM 0 HD21 ASN A 20 -1.353 34.579 -19.738 1.00 1.59 H new ATOM 0 HD22 ASN A 20 0.126 33.614 -19.676 1.00 1.59 H new ATOM 283 N PHE A 21 1.861 30.370 -16.719 1.00 0.88 N ATOM 284 CA PHE A 21 2.436 29.079 -16.373 1.00 0.80 C ATOM 285 C PHE A 21 3.926 29.192 -16.062 1.00 0.75 C ATOM 286 O PHE A 21 4.551 30.227 -16.302 1.00 0.79 O ATOM 287 CB PHE A 21 2.216 28.081 -17.514 1.00 0.87 C ATOM 288 CG PHE A 21 3.024 28.363 -18.751 1.00 0.94 C ATOM 289 CD1 PHE A 21 4.142 27.603 -19.041 1.00 0.97 C ATOM 290 CD2 PHE A 21 2.668 29.382 -19.620 1.00 1.14 C ATOM 291 CE1 PHE A 21 4.890 27.849 -20.175 1.00 1.05 C ATOM 292 CE2 PHE A 21 3.413 29.633 -20.756 1.00 1.25 C ATOM 293 CZ PHE A 21 4.527 28.865 -21.034 1.00 1.15 C ATOM 0 H PHE A 21 2.376 30.892 -17.428 1.00 0.88 H new ATOM 0 HA PHE A 21 1.932 28.722 -15.475 1.00 0.80 H new ATOM 0 HB2 PHE A 21 2.459 27.080 -17.157 1.00 0.87 H new ATOM 0 HB3 PHE A 21 1.159 28.078 -17.778 1.00 0.87 H new ATOM 0 HD1 PHE A 21 4.434 26.807 -18.372 1.00 0.97 H new ATOM 0 HD2 PHE A 21 1.799 29.986 -19.407 1.00 1.14 H new ATOM 0 HE1 PHE A 21 5.760 27.246 -20.389 1.00 1.05 H new ATOM 0 HE2 PHE A 21 3.125 30.429 -21.426 1.00 1.25 H new ATOM 0 HZ PHE A 21 5.112 29.060 -21.921 1.00 1.15 H new ATOM 303 N GLY A 22 4.486 28.117 -15.528 1.00 0.71 N ATOM 304 CA GLY A 22 5.898 28.083 -15.221 1.00 0.68 C ATOM 305 C GLY A 22 6.436 26.668 -15.241 1.00 0.66 C ATOM 306 O GLY A 22 5.714 25.733 -15.593 1.00 0.70 O ATOM 0 H GLY A 22 3.981 27.261 -15.301 1.00 0.71 H new ATOM 0 HA2 GLY A 22 6.443 28.691 -15.943 1.00 0.68 H new ATOM 0 HA3 GLY A 22 6.069 28.524 -14.239 1.00 0.68 H new ATOM 310 N PHE A 23 7.691 26.511 -14.855 1.00 0.66 N ATOM 311 CA PHE A 23 8.324 25.203 -14.820 1.00 0.65 C ATOM 312 C PHE A 23 8.976 24.972 -13.461 1.00 0.56 C ATOM 313 O PHE A 23 9.334 25.929 -12.765 1.00 0.59 O ATOM 314 CB PHE A 23 9.357 25.073 -15.944 1.00 0.76 C ATOM 315 CG PHE A 23 8.756 25.024 -17.319 1.00 0.85 C ATOM 316 CD1 PHE A 23 7.870 24.018 -17.669 1.00 0.88 C ATOM 317 CD2 PHE A 23 9.087 25.980 -18.261 1.00 0.98 C ATOM 318 CE1 PHE A 23 7.323 23.969 -18.935 1.00 0.98 C ATOM 319 CE2 PHE A 23 8.542 25.937 -19.529 1.00 1.08 C ATOM 320 CZ PHE A 23 7.658 24.930 -19.866 1.00 1.06 C ATOM 0 H PHE A 23 8.295 27.278 -14.560 1.00 0.66 H new ATOM 0 HA PHE A 23 7.559 24.441 -14.973 1.00 0.65 H new ATOM 0 HB2 PHE A 23 10.047 25.915 -15.889 1.00 0.76 H new ATOM 0 HB3 PHE A 23 9.944 24.169 -15.782 1.00 0.76 H new ATOM 0 HD1 PHE A 23 7.604 23.264 -16.943 1.00 0.88 H new ATOM 0 HD2 PHE A 23 9.779 26.768 -18.003 1.00 0.98 H new ATOM 0 HE1 PHE A 23 6.634 23.180 -19.196 1.00 0.98 H new ATOM 0 HE2 PHE A 23 8.806 26.690 -20.257 1.00 1.08 H new ATOM 0 HZ PHE A 23 7.230 24.895 -20.857 1.00 1.06 H new ATOM 330 N ILE A 24 9.119 23.709 -13.087 1.00 0.54 N ATOM 331 CA ILE A 24 9.661 23.339 -11.787 1.00 0.48 C ATOM 332 C ILE A 24 10.702 22.238 -11.942 1.00 0.54 C ATOM 333 O ILE A 24 10.392 21.160 -12.459 1.00 0.61 O ATOM 334 CB ILE A 24 8.567 22.809 -10.830 1.00 0.42 C ATOM 335 CG1 ILE A 24 7.358 23.740 -10.787 1.00 0.41 C ATOM 336 CG2 ILE A 24 9.142 22.630 -9.433 1.00 0.40 C ATOM 337 CD1 ILE A 24 6.197 23.175 -10.000 1.00 0.41 C ATOM 0 H ILE A 24 8.864 22.914 -13.673 1.00 0.54 H new ATOM 0 HA ILE A 24 10.102 24.243 -11.368 1.00 0.48 H new ATOM 0 HB ILE A 24 8.228 21.845 -11.209 1.00 0.42 H new ATOM 0 HG12 ILE A 24 7.657 24.692 -10.348 1.00 0.41 H new ATOM 0 HG13 ILE A 24 7.031 23.947 -11.806 1.00 0.41 H new ATOM 0 HG21 ILE A 24 8.366 22.257 -8.765 1.00 0.40 H new ATOM 0 HG22 ILE A 24 9.965 21.917 -9.467 1.00 0.40 H new ATOM 0 HG23 ILE A 24 9.508 23.588 -9.064 1.00 0.40 H new ATOM 0 HD11 ILE A 24 5.371 23.886 -10.009 1.00 0.41 H new ATOM 0 HD12 ILE A 24 5.873 22.237 -10.452 1.00 0.41 H new ATOM 0 HD13 ILE A 24 6.509 22.994 -8.971 1.00 0.41 H new ATOM 349 N GLU A 25 11.917 22.491 -11.474 1.00 0.58 N ATOM 350 CA GLU A 25 12.941 21.462 -11.465 1.00 0.67 C ATOM 351 C GLU A 25 12.583 20.388 -10.452 1.00 0.64 C ATOM 352 O GLU A 25 12.426 20.668 -9.259 1.00 0.63 O ATOM 353 CB GLU A 25 14.311 22.034 -11.109 1.00 0.78 C ATOM 354 CG GLU A 25 15.119 22.554 -12.284 1.00 0.95 C ATOM 355 CD GLU A 25 16.541 22.886 -11.871 1.00 1.60 C ATOM 356 OE1 GLU A 25 16.771 24.011 -11.386 1.00 2.07 O ATOM 357 OE2 GLU A 25 17.430 22.011 -12.002 1.00 2.30 O ATOM 0 H GLU A 25 12.213 23.392 -11.099 1.00 0.58 H new ATOM 0 HA GLU A 25 12.990 21.039 -12.469 1.00 0.67 H new ATOM 0 HB2 GLU A 25 14.174 22.846 -10.395 1.00 0.78 H new ATOM 0 HB3 GLU A 25 14.890 21.261 -10.604 1.00 0.78 H new ATOM 0 HG2 GLU A 25 15.133 21.807 -13.077 1.00 0.95 H new ATOM 0 HG3 GLU A 25 14.640 23.444 -12.693 1.00 0.95 H new ATOM 364 N THR A 26 12.421 19.169 -10.939 1.00 0.68 N ATOM 365 CA THR A 26 12.201 18.026 -10.078 1.00 0.69 C ATOM 366 C THR A 26 13.359 17.889 -9.088 1.00 0.71 C ATOM 367 O THR A 26 14.512 18.141 -9.440 1.00 0.82 O ATOM 368 CB THR A 26 12.064 16.737 -10.913 1.00 0.79 C ATOM 369 OG1 THR A 26 13.069 16.715 -11.933 1.00 0.84 O ATOM 370 CG2 THR A 26 10.689 16.634 -11.559 1.00 0.87 C ATOM 0 H THR A 26 12.439 18.948 -11.935 1.00 0.68 H new ATOM 0 HA THR A 26 11.274 18.180 -9.525 1.00 0.69 H new ATOM 0 HB THR A 26 12.191 15.888 -10.242 1.00 0.79 H new ATOM 0 HG1 THR A 26 12.782 17.271 -12.687 1.00 0.84 H new ATOM 0 HG21 THR A 26 10.628 15.714 -12.140 1.00 0.87 H new ATOM 0 HG22 THR A 26 9.923 16.626 -10.784 1.00 0.87 H new ATOM 0 HG23 THR A 26 10.531 17.489 -12.216 1.00 0.87 H new ATOM 378 N LEU A 27 13.041 17.517 -7.852 1.00 0.68 N ATOM 379 CA LEU A 27 14.044 17.367 -6.794 1.00 0.74 C ATOM 380 C LEU A 27 15.215 16.505 -7.276 1.00 0.89 C ATOM 381 O LEU A 27 16.380 16.857 -7.101 1.00 1.00 O ATOM 382 CB LEU A 27 13.388 16.722 -5.567 1.00 0.74 C ATOM 383 CG LEU A 27 13.939 17.141 -4.194 1.00 0.80 C ATOM 384 CD1 LEU A 27 15.428 16.848 -4.067 1.00 1.48 C ATOM 385 CD2 LEU A 27 13.666 18.616 -3.945 1.00 1.58 C ATOM 0 H LEU A 27 12.088 17.311 -7.553 1.00 0.68 H new ATOM 0 HA LEU A 27 14.432 18.351 -6.530 1.00 0.74 H new ATOM 0 HB2 LEU A 27 12.322 16.950 -5.591 1.00 0.74 H new ATOM 0 HB3 LEU A 27 13.485 15.640 -5.658 1.00 0.74 H new ATOM 0 HG LEU A 27 13.424 16.549 -3.437 1.00 0.80 H new ATOM 0 HD11 LEU A 27 15.777 17.159 -3.082 1.00 1.48 H new ATOM 0 HD12 LEU A 27 15.600 15.779 -4.192 1.00 1.48 H new ATOM 0 HD13 LEU A 27 15.973 17.396 -4.835 1.00 1.48 H new ATOM 0 HD21 LEU A 27 14.061 18.900 -2.970 1.00 1.58 H new ATOM 0 HD22 LEU A 27 14.150 19.211 -4.719 1.00 1.58 H new ATOM 0 HD23 LEU A 27 12.591 18.796 -3.967 1.00 1.58 H new ATOM 397 N SER A 28 14.885 15.386 -7.911 1.00 0.97 N ATOM 398 CA SER A 28 15.885 14.438 -8.390 1.00 1.16 C ATOM 399 C SER A 28 16.405 14.819 -9.779 1.00 1.12 C ATOM 400 O SER A 28 16.984 13.982 -10.470 1.00 1.25 O ATOM 401 CB SER A 28 15.268 13.038 -8.436 1.00 1.34 C ATOM 402 OG SER A 28 14.642 12.718 -7.201 1.00 2.04 O ATOM 0 H SER A 28 13.923 15.111 -8.108 1.00 0.97 H new ATOM 0 HA SER A 28 16.731 14.456 -7.703 1.00 1.16 H new ATOM 0 HB2 SER A 28 14.537 12.985 -9.243 1.00 1.34 H new ATOM 0 HB3 SER A 28 16.041 12.303 -8.657 1.00 1.34 H new ATOM 0 HG SER A 28 14.253 11.820 -7.254 1.00 2.04 H new ATOM 408 N HIS A 29 16.187 16.083 -10.169 1.00 1.00 N ATOM 409 CA HIS A 29 16.585 16.625 -11.485 1.00 1.01 C ATOM 410 C HIS A 29 16.271 15.647 -12.626 1.00 1.02 C ATOM 411 O HIS A 29 16.989 15.565 -13.623 1.00 1.13 O ATOM 412 CB HIS A 29 18.069 17.070 -11.494 1.00 1.17 C ATOM 413 CG HIS A 29 19.098 15.972 -11.480 1.00 1.75 C ATOM 414 ND1 HIS A 29 19.696 15.471 -12.615 1.00 2.53 N ATOM 415 CD2 HIS A 29 19.656 15.303 -10.439 1.00 2.06 C ATOM 416 CE1 HIS A 29 20.578 14.539 -12.239 1.00 3.29 C ATOM 417 NE2 HIS A 29 20.595 14.397 -10.928 1.00 3.03 N ATOM 0 H HIS A 29 15.723 16.770 -9.575 1.00 1.00 H new ATOM 0 HA HIS A 29 15.983 17.516 -11.661 1.00 1.01 H new ATOM 0 HB2 HIS A 29 18.236 17.683 -12.379 1.00 1.17 H new ATOM 0 HB3 HIS A 29 18.239 17.709 -10.627 1.00 1.17 H new ATOM 0 HD2 HIS A 29 19.411 15.450 -9.397 1.00 2.06 H new ATOM 0 HE1 HIS A 29 21.197 13.975 -12.921 1.00 3.29 H new ATOM 0 HE2 HIS A 29 21.175 13.757 -10.385 1.00 3.03 H new ATOM 425 N ASP A 30 15.154 14.948 -12.481 1.00 1.05 N ATOM 426 CA ASP A 30 14.734 13.943 -13.443 1.00 1.17 C ATOM 427 C ASP A 30 14.302 14.604 -14.747 1.00 1.15 C ATOM 428 O ASP A 30 14.766 14.240 -15.831 1.00 1.31 O ATOM 429 CB ASP A 30 13.575 13.133 -12.858 1.00 1.31 C ATOM 430 CG ASP A 30 13.374 11.799 -13.550 1.00 2.12 C ATOM 431 OD1 ASP A 30 13.336 10.766 -12.849 1.00 2.89 O ATOM 432 OD2 ASP A 30 13.259 11.768 -14.790 1.00 2.47 O ATOM 0 H ASP A 30 14.515 15.063 -11.694 1.00 1.05 H new ATOM 0 HA ASP A 30 15.572 13.279 -13.654 1.00 1.17 H new ATOM 0 HB2 ASP A 30 13.758 12.962 -11.797 1.00 1.31 H new ATOM 0 HB3 ASP A 30 12.657 13.716 -12.933 1.00 1.31 H new ATOM 437 N GLU A 31 13.420 15.590 -14.626 1.00 1.06 N ATOM 438 CA GLU A 31 12.891 16.303 -15.780 1.00 1.19 C ATOM 439 C GLU A 31 12.219 17.600 -15.345 1.00 1.07 C ATOM 440 O GLU A 31 12.258 17.963 -14.165 1.00 0.94 O ATOM 441 CB GLU A 31 11.897 15.426 -16.549 1.00 1.37 C ATOM 442 CG GLU A 31 10.721 14.930 -15.721 1.00 1.33 C ATOM 443 CD GLU A 31 9.831 13.986 -16.506 1.00 1.49 C ATOM 444 OE1 GLU A 31 9.100 14.459 -17.402 1.00 1.80 O ATOM 445 OE2 GLU A 31 9.840 12.771 -16.221 1.00 1.65 O ATOM 0 H GLU A 31 13.054 15.915 -13.731 1.00 1.06 H new ATOM 0 HA GLU A 31 13.724 16.545 -16.441 1.00 1.19 H new ATOM 0 HB2 GLU A 31 11.514 15.992 -17.398 1.00 1.37 H new ATOM 0 HB3 GLU A 31 12.429 14.565 -16.954 1.00 1.37 H new ATOM 0 HG2 GLU A 31 11.093 14.422 -14.831 1.00 1.33 H new ATOM 0 HG3 GLU A 31 10.133 15.782 -15.379 1.00 1.33 H new ATOM 452 N GLU A 32 11.601 18.282 -16.299 1.00 1.20 N ATOM 453 CA GLU A 32 10.903 19.531 -16.032 1.00 1.14 C ATOM 454 C GLU A 32 9.405 19.289 -15.989 1.00 1.04 C ATOM 455 O GLU A 32 8.884 18.452 -16.726 1.00 1.17 O ATOM 456 CB GLU A 32 11.228 20.565 -17.114 1.00 1.41 C ATOM 457 CG GLU A 32 12.209 21.633 -16.667 1.00 1.85 C ATOM 458 CD GLU A 32 11.615 22.568 -15.630 1.00 2.71 C ATOM 459 OE1 GLU A 32 10.513 22.272 -15.127 1.00 3.37 O ATOM 460 OE2 GLU A 32 12.264 23.586 -15.298 1.00 3.06 O ATOM 0 H GLU A 32 11.569 17.987 -17.275 1.00 1.20 H new ATOM 0 HA GLU A 32 11.234 19.915 -15.067 1.00 1.14 H new ATOM 0 HB2 GLU A 32 11.637 20.051 -17.984 1.00 1.41 H new ATOM 0 HB3 GLU A 32 10.303 21.045 -17.434 1.00 1.41 H new ATOM 0 HG2 GLU A 32 13.098 21.156 -16.255 1.00 1.85 H new ATOM 0 HG3 GLU A 32 12.530 22.212 -17.533 1.00 1.85 H new ATOM 467 N VAL A 33 8.712 20.017 -15.131 1.00 0.87 N ATOM 468 CA VAL A 33 7.286 19.809 -14.949 1.00 0.80 C ATOM 469 C VAL A 33 6.507 21.081 -15.221 1.00 0.75 C ATOM 470 O VAL A 33 6.710 22.106 -14.568 1.00 0.71 O ATOM 471 CB VAL A 33 6.940 19.313 -13.530 1.00 0.71 C ATOM 472 CG1 VAL A 33 5.474 18.907 -13.446 1.00 0.78 C ATOM 473 CG2 VAL A 33 7.839 18.158 -13.124 1.00 0.76 C ATOM 0 H VAL A 33 9.112 20.755 -14.551 1.00 0.87 H new ATOM 0 HA VAL A 33 7.002 19.039 -15.666 1.00 0.80 H new ATOM 0 HB VAL A 33 7.110 20.135 -12.834 1.00 0.71 H new ATOM 0 HG11 VAL A 33 5.250 18.560 -12.437 1.00 0.78 H new ATOM 0 HG12 VAL A 33 4.845 19.765 -13.683 1.00 0.78 H new ATOM 0 HG13 VAL A 33 5.277 18.105 -14.158 1.00 0.78 H new ATOM 0 HG21 VAL A 33 7.575 17.827 -12.120 1.00 0.76 H new ATOM 0 HG22 VAL A 33 7.710 17.333 -13.824 1.00 0.76 H new ATOM 0 HG23 VAL A 33 8.879 18.485 -13.136 1.00 0.76 H new ATOM 483 N PHE A 34 5.612 21.000 -16.187 1.00 0.83 N ATOM 484 CA PHE A 34 4.730 22.100 -16.510 1.00 0.82 C ATOM 485 C PHE A 34 3.642 22.239 -15.448 1.00 0.75 C ATOM 486 O PHE A 34 2.834 21.329 -15.246 1.00 0.78 O ATOM 487 CB PHE A 34 4.101 21.873 -17.891 1.00 0.94 C ATOM 488 CG PHE A 34 2.859 22.680 -18.128 1.00 0.95 C ATOM 489 CD1 PHE A 34 1.630 22.055 -18.235 1.00 1.02 C ATOM 490 CD2 PHE A 34 2.916 24.060 -18.222 1.00 0.93 C ATOM 491 CE1 PHE A 34 0.481 22.791 -18.433 1.00 1.06 C ATOM 492 CE2 PHE A 34 1.771 24.797 -18.424 1.00 0.97 C ATOM 493 CZ PHE A 34 0.552 24.163 -18.527 1.00 1.04 C ATOM 0 H PHE A 34 5.478 20.172 -16.767 1.00 0.83 H new ATOM 0 HA PHE A 34 5.309 23.023 -16.531 1.00 0.82 H new ATOM 0 HB2 PHE A 34 4.835 22.118 -18.659 1.00 0.94 H new ATOM 0 HB3 PHE A 34 3.863 20.815 -18.003 1.00 0.94 H new ATOM 0 HD1 PHE A 34 1.570 20.979 -18.163 1.00 1.02 H new ATOM 0 HD2 PHE A 34 3.868 24.563 -18.136 1.00 0.93 H new ATOM 0 HE1 PHE A 34 -0.473 22.292 -18.514 1.00 1.06 H new ATOM 0 HE2 PHE A 34 1.828 25.873 -18.502 1.00 0.97 H new ATOM 0 HZ PHE A 34 -0.347 24.741 -18.681 1.00 1.04 H new ATOM 503 N PHE A 35 3.632 23.364 -14.756 1.00 0.68 N ATOM 504 CA PHE A 35 2.566 23.652 -13.817 1.00 0.65 C ATOM 505 C PHE A 35 1.889 24.958 -14.210 1.00 0.66 C ATOM 506 O PHE A 35 2.515 25.836 -14.809 1.00 0.67 O ATOM 507 CB PHE A 35 3.091 23.717 -12.374 1.00 0.62 C ATOM 508 CG PHE A 35 3.653 25.053 -11.960 1.00 0.80 C ATOM 509 CD1 PHE A 35 4.917 25.454 -12.362 1.00 1.17 C ATOM 510 CD2 PHE A 35 2.913 25.902 -11.149 1.00 1.23 C ATOM 511 CE1 PHE A 35 5.431 26.673 -11.962 1.00 1.72 C ATOM 512 CE2 PHE A 35 3.423 27.121 -10.750 1.00 1.76 C ATOM 513 CZ PHE A 35 4.684 27.506 -11.158 1.00 1.96 C ATOM 0 H PHE A 35 4.346 24.089 -14.826 1.00 0.68 H new ATOM 0 HA PHE A 35 1.837 22.843 -13.855 1.00 0.65 H new ATOM 0 HB2 PHE A 35 2.279 23.456 -11.696 1.00 0.62 H new ATOM 0 HB3 PHE A 35 3.865 22.960 -12.251 1.00 0.62 H new ATOM 0 HD1 PHE A 35 5.507 24.807 -12.995 1.00 1.17 H new ATOM 0 HD2 PHE A 35 1.926 25.605 -10.826 1.00 1.23 H new ATOM 0 HE1 PHE A 35 6.419 26.973 -12.280 1.00 1.72 H new ATOM 0 HE2 PHE A 35 2.836 27.773 -10.119 1.00 1.76 H new ATOM 0 HZ PHE A 35 5.085 28.459 -10.847 1.00 1.96 H new ATOM 523 N HIS A 36 0.617 25.078 -13.884 1.00 0.72 N ATOM 524 CA HIS A 36 -0.150 26.250 -14.251 1.00 0.74 C ATOM 525 C HIS A 36 -0.468 27.060 -12.996 1.00 0.70 C ATOM 526 O HIS A 36 -0.974 26.509 -12.021 1.00 0.74 O ATOM 527 CB HIS A 36 -1.445 25.817 -14.948 1.00 0.84 C ATOM 528 CG HIS A 36 -1.892 26.740 -16.038 1.00 0.94 C ATOM 529 ND1 HIS A 36 -1.674 28.068 -16.211 1.00 1.06 N flip ATOM 530 CD2 HIS A 36 -2.649 26.337 -17.117 1.00 1.15 C flip ATOM 531 CE1 HIS A 36 -2.288 28.484 -17.385 1.00 1.12 C flip ATOM 532 NE2 HIS A 36 -2.859 27.405 -17.893 1.00 1.18 N flip ATOM 0 H HIS A 36 0.092 24.375 -13.364 1.00 0.72 H new ATOM 0 HA HIS A 36 0.428 26.870 -14.936 1.00 0.74 H new ATOM 0 HB2 HIS A 36 -1.304 24.820 -15.366 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -2.237 25.741 -14.203 1.00 0.84 H new ATOM 0 HD1 HIS A 36 -1.143 28.666 -15.578 1.00 1.06 H new ATOM 0 HD2 HIS A 36 -3.009 25.336 -17.303 1.00 1.15 H new ATOM 0 HE1 HIS A 36 -2.297 29.482 -17.798 1.00 1.12 H new ATOM 540 N PHE A 37 -0.177 28.361 -13.016 1.00 0.68 N ATOM 541 CA PHE A 37 -0.423 29.221 -11.855 1.00 0.67 C ATOM 542 C PHE A 37 -1.914 29.307 -11.549 1.00 0.73 C ATOM 543 O PHE A 37 -2.309 29.655 -10.440 1.00 0.75 O ATOM 544 CB PHE A 37 0.144 30.625 -12.076 1.00 0.71 C ATOM 545 CG PHE A 37 1.639 30.718 -11.946 1.00 0.68 C ATOM 546 CD1 PHE A 37 2.448 30.749 -13.070 1.00 0.73 C ATOM 547 CD2 PHE A 37 2.233 30.785 -10.697 1.00 0.69 C ATOM 548 CE1 PHE A 37 3.821 30.851 -12.950 1.00 0.74 C ATOM 549 CE2 PHE A 37 3.605 30.885 -10.570 1.00 0.72 C ATOM 550 CZ PHE A 37 4.400 30.917 -11.700 1.00 0.73 C ATOM 0 H PHE A 37 0.228 28.842 -13.819 1.00 0.68 H new ATOM 0 HA PHE A 37 0.086 28.772 -11.002 1.00 0.67 H new ATOM 0 HB2 PHE A 37 -0.144 30.968 -13.070 1.00 0.71 H new ATOM 0 HB3 PHE A 37 -0.314 31.306 -11.359 1.00 0.71 H new ATOM 0 HD1 PHE A 37 2.001 30.693 -14.051 1.00 0.73 H new ATOM 0 HD2 PHE A 37 1.616 30.759 -9.811 1.00 0.69 H new ATOM 0 HE1 PHE A 37 4.440 30.879 -13.834 1.00 0.74 H new ATOM 0 HE2 PHE A 37 4.055 30.938 -9.590 1.00 0.72 H new ATOM 0 HZ PHE A 37 5.473 30.994 -11.604 1.00 0.73 H new ATOM 560 N SER A 38 -2.730 28.987 -12.543 1.00 0.80 N ATOM 561 CA SER A 38 -4.176 28.960 -12.378 1.00 0.90 C ATOM 562 C SER A 38 -4.605 27.958 -11.299 1.00 0.92 C ATOM 563 O SER A 38 -5.570 28.199 -10.574 1.00 1.07 O ATOM 564 CB SER A 38 -4.833 28.614 -13.711 1.00 0.98 C ATOM 565 OG SER A 38 -4.331 29.446 -14.741 1.00 1.63 O ATOM 0 H SER A 38 -2.411 28.740 -13.480 1.00 0.80 H new ATOM 0 HA SER A 38 -4.501 29.948 -12.053 1.00 0.90 H new ATOM 0 HB2 SER A 38 -4.645 27.569 -13.956 1.00 0.98 H new ATOM 0 HB3 SER A 38 -5.914 28.734 -13.633 1.00 0.98 H new ATOM 0 HG SER A 38 -3.506 29.059 -15.101 1.00 1.63 H new ATOM 571 N ASN A 39 -3.889 26.842 -11.186 1.00 0.82 N ATOM 572 CA ASN A 39 -4.220 25.836 -10.185 1.00 0.87 C ATOM 573 C ASN A 39 -3.257 25.916 -9.004 1.00 0.80 C ATOM 574 O ASN A 39 -3.372 25.157 -8.036 1.00 0.87 O ATOM 575 CB ASN A 39 -4.218 24.419 -10.787 1.00 0.92 C ATOM 576 CG ASN A 39 -2.845 23.925 -11.217 1.00 1.28 C ATOM 577 OD1 ASN A 39 -1.955 23.725 -10.394 1.00 2.07 O ATOM 578 ND2 ASN A 39 -2.680 23.672 -12.509 1.00 1.54 N ATOM 0 H ASN A 39 -3.084 26.614 -11.770 1.00 0.82 H new ATOM 0 HA ASN A 39 -5.229 26.044 -9.828 1.00 0.87 H new ATOM 0 HB2 ASN A 39 -4.628 23.725 -10.054 1.00 0.92 H new ATOM 0 HB3 ASN A 39 -4.884 24.402 -11.650 1.00 0.92 H new ATOM 0 HD21 ASN A 39 -1.792 23.299 -12.846 1.00 1.54 H new ATOM 0 HD22 ASN A 39 -3.441 23.850 -13.165 1.00 1.54 H new ATOM 585 N TYR A 40 -2.314 26.842 -9.091 1.00 0.72 N ATOM 586 CA TYR A 40 -1.352 27.061 -8.024 1.00 0.66 C ATOM 587 C TYR A 40 -2.030 27.725 -6.832 1.00 0.73 C ATOM 588 O TYR A 40 -2.709 28.744 -6.980 1.00 0.87 O ATOM 589 CB TYR A 40 -0.190 27.923 -8.529 1.00 0.65 C ATOM 590 CG TYR A 40 0.699 28.449 -7.427 1.00 0.59 C ATOM 591 CD1 TYR A 40 1.600 27.616 -6.783 1.00 0.55 C ATOM 592 CD2 TYR A 40 0.630 29.776 -7.028 1.00 0.75 C ATOM 593 CE1 TYR A 40 2.403 28.088 -5.766 1.00 0.64 C ATOM 594 CE2 TYR A 40 1.431 30.256 -6.015 1.00 0.81 C ATOM 595 CZ TYR A 40 2.316 29.408 -5.388 1.00 0.74 C ATOM 596 OH TYR A 40 3.109 29.883 -4.373 1.00 0.91 O ATOM 0 H TYR A 40 -2.195 27.457 -9.896 1.00 0.72 H new ATOM 0 HA TYR A 40 -0.956 26.097 -7.704 1.00 0.66 H new ATOM 0 HB2 TYR A 40 0.413 27.335 -9.221 1.00 0.65 H new ATOM 0 HB3 TYR A 40 -0.592 28.765 -9.093 1.00 0.65 H new ATOM 0 HD1 TYR A 40 1.674 26.581 -7.082 1.00 0.55 H new ATOM 0 HD2 TYR A 40 -0.063 30.443 -7.519 1.00 0.75 H new ATOM 0 HE1 TYR A 40 3.096 27.425 -5.269 1.00 0.64 H new ATOM 0 HE2 TYR A 40 1.365 31.291 -5.715 1.00 0.81 H new ATOM 0 HH TYR A 40 2.556 30.368 -3.726 1.00 0.91 H new ATOM 606 N MET A 41 -1.847 27.148 -5.656 1.00 0.69 N ATOM 607 CA MET A 41 -2.452 27.688 -4.452 1.00 0.79 C ATOM 608 C MET A 41 -1.415 28.455 -3.639 1.00 0.77 C ATOM 609 O MET A 41 -0.472 27.871 -3.097 1.00 0.77 O ATOM 610 CB MET A 41 -3.080 26.567 -3.622 1.00 0.87 C ATOM 611 CG MET A 41 -3.762 27.055 -2.354 1.00 1.35 C ATOM 612 SD MET A 41 -4.722 25.765 -1.539 1.00 1.73 S ATOM 613 CE MET A 41 -3.468 24.515 -1.256 1.00 1.39 C ATOM 0 H MET A 41 -1.286 26.309 -5.510 1.00 0.69 H new ATOM 0 HA MET A 41 -3.243 28.382 -4.736 1.00 0.79 H new ATOM 0 HB2 MET A 41 -3.809 26.037 -4.235 1.00 0.87 H new ATOM 0 HB3 MET A 41 -2.306 25.848 -3.354 1.00 0.87 H new ATOM 0 HG2 MET A 41 -3.008 27.432 -1.663 1.00 1.35 H new ATOM 0 HG3 MET A 41 -4.418 27.891 -2.598 1.00 1.35 H new ATOM 0 HE1 MET A 41 -3.851 23.766 -0.563 1.00 1.39 H new ATOM 0 HE2 MET A 41 -3.211 24.037 -2.201 1.00 1.39 H new ATOM 0 HE3 MET A 41 -2.579 24.981 -0.831 1.00 1.39 H new ATOM 623 N GLY A 42 -1.588 29.765 -3.579 1.00 0.87 N ATOM 624 CA GLY A 42 -0.676 30.613 -2.838 1.00 0.91 C ATOM 625 C GLY A 42 -0.534 31.969 -3.486 1.00 0.92 C ATOM 626 O GLY A 42 -1.269 32.292 -4.419 1.00 1.05 O ATOM 0 H GLY A 42 -2.353 30.262 -4.036 1.00 0.87 H new ATOM 0 HA2 GLY A 42 -1.037 30.732 -1.816 1.00 0.91 H new ATOM 0 HA3 GLY A 42 0.301 30.133 -2.777 1.00 0.91 H new ATOM 630 N ASN A 43 0.395 32.768 -2.995 1.00 0.89 N ATOM 631 CA ASN A 43 0.656 34.077 -3.571 1.00 0.91 C ATOM 632 C ASN A 43 1.813 33.996 -4.561 1.00 0.83 C ATOM 633 O ASN A 43 2.971 33.888 -4.158 1.00 0.83 O ATOM 634 CB ASN A 43 0.979 35.090 -2.469 1.00 1.02 C ATOM 635 CG ASN A 43 -0.158 35.255 -1.477 1.00 1.48 C ATOM 636 OD1 ASN A 43 -0.240 34.533 -0.485 1.00 2.14 O ATOM 637 ND2 ASN A 43 -1.035 36.212 -1.729 1.00 2.03 N ATOM 0 H ASN A 43 0.984 32.534 -2.196 1.00 0.89 H new ATOM 0 HA ASN A 43 -0.238 34.408 -4.099 1.00 0.91 H new ATOM 0 HB2 ASN A 43 1.876 34.771 -1.938 1.00 1.02 H new ATOM 0 HB3 ASN A 43 1.204 36.055 -2.922 1.00 1.02 H new ATOM 0 HD21 ASN A 43 -1.813 36.372 -1.089 1.00 2.03 H new ATOM 0 HD22 ASN A 43 -0.933 36.791 -2.563 1.00 2.03 H new ATOM 644 N PRO A 44 1.520 34.044 -5.874 1.00 0.84 N ATOM 645 CA PRO A 44 2.540 33.891 -6.913 1.00 0.82 C ATOM 646 C PRO A 44 3.525 35.052 -6.933 1.00 0.88 C ATOM 647 O PRO A 44 4.692 34.885 -7.273 1.00 0.91 O ATOM 648 CB PRO A 44 1.751 33.846 -8.228 1.00 0.92 C ATOM 649 CG PRO A 44 0.311 33.725 -7.843 1.00 1.01 C ATOM 650 CD PRO A 44 0.183 34.263 -6.444 1.00 0.93 C ATOM 0 HA PRO A 44 3.141 32.998 -6.742 1.00 0.82 H new ATOM 0 HB2 PRO A 44 1.923 34.747 -8.817 1.00 0.92 H new ATOM 0 HB3 PRO A 44 2.063 33.000 -8.841 1.00 0.92 H new ATOM 0 HG2 PRO A 44 -0.321 34.286 -8.531 1.00 1.01 H new ATOM 0 HG3 PRO A 44 -0.014 32.686 -7.888 1.00 1.01 H new ATOM 0 HD2 PRO A 44 -0.087 35.319 -6.442 1.00 0.93 H new ATOM 0 HD3 PRO A 44 -0.586 33.736 -5.879 1.00 0.93 H new ATOM 658 N ASN A 45 3.050 36.230 -6.547 1.00 0.94 N ATOM 659 CA ASN A 45 3.891 37.424 -6.517 1.00 1.05 C ATOM 660 C ASN A 45 4.924 37.343 -5.397 1.00 1.04 C ATOM 661 O ASN A 45 5.858 38.139 -5.346 1.00 1.15 O ATOM 662 CB ASN A 45 3.036 38.681 -6.350 1.00 1.15 C ATOM 663 CG ASN A 45 2.052 38.872 -7.486 1.00 1.43 C ATOM 664 OD1 ASN A 45 0.920 38.402 -7.424 1.00 2.08 O ATOM 665 ND2 ASN A 45 2.479 39.558 -8.537 1.00 1.88 N ATOM 0 H ASN A 45 2.087 36.386 -6.250 1.00 0.94 H new ATOM 0 HA ASN A 45 4.420 37.480 -7.468 1.00 1.05 H new ATOM 0 HB2 ASN A 45 2.491 38.622 -5.408 1.00 1.15 H new ATOM 0 HB3 ASN A 45 3.687 39.553 -6.288 1.00 1.15 H new ATOM 0 HD21 ASN A 45 1.859 39.711 -9.332 1.00 1.88 H new ATOM 0 HD22 ASN A 45 3.428 39.933 -8.550 1.00 1.88 H new ATOM 672 N TRP A 46 4.752 36.380 -4.501 1.00 0.98 N ATOM 673 CA TRP A 46 5.698 36.169 -3.417 1.00 1.04 C ATOM 674 C TRP A 46 6.642 35.018 -3.746 1.00 0.96 C ATOM 675 O TRP A 46 7.438 34.589 -2.910 1.00 1.02 O ATOM 676 CB TRP A 46 4.960 35.897 -2.102 1.00 1.10 C ATOM 677 CG TRP A 46 4.436 37.138 -1.453 1.00 1.28 C ATOM 678 CD1 TRP A 46 3.308 37.827 -1.792 1.00 1.30 C ATOM 679 CD2 TRP A 46 5.028 37.844 -0.359 1.00 1.56 C ATOM 680 NE1 TRP A 46 3.162 38.921 -0.976 1.00 1.52 N ATOM 681 CE2 TRP A 46 4.203 38.952 -0.084 1.00 1.67 C ATOM 682 CE3 TRP A 46 6.173 37.648 0.419 1.00 1.80 C ATOM 683 CZ2 TRP A 46 4.490 39.860 0.930 1.00 1.97 C ATOM 684 CZ3 TRP A 46 6.455 38.550 1.428 1.00 2.13 C ATOM 685 CH2 TRP A 46 5.614 39.643 1.678 1.00 2.18 C ATOM 0 H TRP A 46 3.964 35.732 -4.505 1.00 0.98 H new ATOM 0 HA TRP A 46 6.289 37.077 -3.298 1.00 1.04 H new ATOM 0 HB2 TRP A 46 4.130 35.216 -2.293 1.00 1.10 H new ATOM 0 HB3 TRP A 46 5.635 35.391 -1.412 1.00 1.10 H new ATOM 0 HD1 TRP A 46 2.630 37.552 -2.586 1.00 1.30 H new ATOM 0 HE1 TRP A 46 2.403 39.600 -1.025 1.00 1.52 H new ATOM 0 HE3 TRP A 46 6.825 36.807 0.235 1.00 1.80 H new ATOM 0 HZ2 TRP A 46 3.847 40.707 1.120 1.00 1.97 H new ATOM 0 HZ3 TRP A 46 7.338 38.410 2.034 1.00 2.13 H new ATOM 0 HH2 TRP A 46 5.858 40.327 2.477 1.00 2.18 H new ATOM 696 N LEU A 47 6.553 34.523 -4.975 1.00 0.85 N ATOM 697 CA LEU A 47 7.427 33.452 -5.424 1.00 0.78 C ATOM 698 C LEU A 47 8.716 34.000 -6.006 1.00 0.82 C ATOM 699 O LEU A 47 8.721 35.020 -6.697 1.00 0.92 O ATOM 700 CB LEU A 47 6.733 32.577 -6.469 1.00 0.68 C ATOM 701 CG LEU A 47 5.821 31.490 -5.911 1.00 0.62 C ATOM 702 CD1 LEU A 47 5.047 30.824 -7.029 1.00 0.57 C ATOM 703 CD2 LEU A 47 6.636 30.452 -5.159 1.00 0.66 C ATOM 0 H LEU A 47 5.885 34.847 -5.675 1.00 0.85 H new ATOM 0 HA LEU A 47 7.664 32.845 -4.550 1.00 0.78 H new ATOM 0 HB2 LEU A 47 6.145 33.220 -7.124 1.00 0.68 H new ATOM 0 HB3 LEU A 47 7.496 32.105 -7.088 1.00 0.68 H new ATOM 0 HG LEU A 47 5.116 31.954 -5.222 1.00 0.62 H new ATOM 0 HD11 LEU A 47 4.401 30.051 -6.614 1.00 0.57 H new ATOM 0 HD12 LEU A 47 4.438 31.568 -7.543 1.00 0.57 H new ATOM 0 HD13 LEU A 47 5.744 30.374 -7.736 1.00 0.57 H new ATOM 0 HD21 LEU A 47 5.972 29.682 -4.766 1.00 0.66 H new ATOM 0 HD22 LEU A 47 7.359 29.997 -5.836 1.00 0.66 H new ATOM 0 HD23 LEU A 47 7.163 30.931 -4.334 1.00 0.66 H new ATOM 715 N GLU A 48 9.803 33.309 -5.723 1.00 0.81 N ATOM 716 CA GLU A 48 11.099 33.647 -6.278 1.00 0.89 C ATOM 717 C GLU A 48 11.629 32.468 -7.062 1.00 0.71 C ATOM 718 O GLU A 48 11.209 31.329 -6.843 1.00 0.62 O ATOM 719 CB GLU A 48 12.088 34.020 -5.175 1.00 1.15 C ATOM 720 CG GLU A 48 11.915 35.434 -4.663 1.00 1.48 C ATOM 721 CD GLU A 48 12.496 36.466 -5.606 1.00 1.86 C ATOM 722 OE1 GLU A 48 11.979 36.607 -6.731 1.00 2.35 O ATOM 723 OE2 GLU A 48 13.464 37.156 -5.218 1.00 2.13 O ATOM 0 H GLU A 48 9.813 32.499 -5.103 1.00 0.81 H new ATOM 0 HA GLU A 48 10.982 34.509 -6.935 1.00 0.89 H new ATOM 0 HB2 GLU A 48 11.973 33.324 -4.344 1.00 1.15 H new ATOM 0 HB3 GLU A 48 13.104 33.900 -5.552 1.00 1.15 H new ATOM 0 HG2 GLU A 48 10.854 35.637 -4.516 1.00 1.48 H new ATOM 0 HG3 GLU A 48 12.395 35.526 -3.689 1.00 1.48 H new ATOM 730 N LEU A 49 12.544 32.733 -7.968 1.00 0.75 N ATOM 731 CA LEU A 49 13.152 31.671 -8.741 1.00 0.67 C ATOM 732 C LEU A 49 14.124 30.901 -7.856 1.00 0.67 C ATOM 733 O LEU A 49 15.136 31.442 -7.402 1.00 0.73 O ATOM 734 CB LEU A 49 13.866 32.231 -9.974 1.00 0.76 C ATOM 735 CG LEU A 49 12.987 33.037 -10.940 1.00 0.85 C ATOM 736 CD1 LEU A 49 13.798 33.494 -12.146 1.00 1.40 C ATOM 737 CD2 LEU A 49 11.778 32.223 -11.384 1.00 1.11 C ATOM 0 H LEU A 49 12.883 33.670 -8.188 1.00 0.75 H new ATOM 0 HA LEU A 49 12.373 30.995 -9.093 1.00 0.67 H new ATOM 0 HB2 LEU A 49 14.685 32.867 -9.640 1.00 0.76 H new ATOM 0 HB3 LEU A 49 14.311 31.401 -10.523 1.00 0.76 H new ATOM 0 HG LEU A 49 12.625 33.920 -10.413 1.00 0.85 H new ATOM 0 HD11 LEU A 49 13.158 34.064 -12.820 1.00 1.40 H new ATOM 0 HD12 LEU A 49 14.624 34.122 -11.812 1.00 1.40 H new ATOM 0 HD13 LEU A 49 14.193 32.624 -12.670 1.00 1.40 H new ATOM 0 HD21 LEU A 49 11.171 32.816 -12.068 1.00 1.11 H new ATOM 0 HD22 LEU A 49 12.115 31.318 -11.890 1.00 1.11 H new ATOM 0 HD23 LEU A 49 11.182 31.952 -10.513 1.00 1.11 H new ATOM 749 N GLY A 50 13.810 29.642 -7.609 1.00 0.66 N ATOM 750 CA GLY A 50 14.594 28.844 -6.691 1.00 0.72 C ATOM 751 C GLY A 50 13.856 28.569 -5.396 1.00 0.69 C ATOM 752 O GLY A 50 14.370 27.870 -4.523 1.00 0.75 O ATOM 0 H GLY A 50 13.020 29.154 -8.031 1.00 0.66 H new ATOM 0 HA2 GLY A 50 14.855 27.898 -7.166 1.00 0.72 H new ATOM 0 HA3 GLY A 50 15.529 29.359 -6.472 1.00 0.72 H new ATOM 756 N GLN A 51 12.656 29.129 -5.267 1.00 0.62 N ATOM 757 CA GLN A 51 11.829 28.897 -4.088 1.00 0.60 C ATOM 758 C GLN A 51 11.397 27.439 -4.013 1.00 0.56 C ATOM 759 O GLN A 51 11.015 26.839 -5.022 1.00 0.53 O ATOM 760 CB GLN A 51 10.591 29.803 -4.090 1.00 0.59 C ATOM 761 CG GLN A 51 9.587 29.489 -2.979 1.00 0.60 C ATOM 762 CD GLN A 51 10.177 29.622 -1.582 1.00 0.70 C ATOM 763 OE1 GLN A 51 11.040 30.460 -1.336 1.00 1.06 O ATOM 764 NE2 GLN A 51 9.735 28.773 -0.663 1.00 0.87 N ATOM 0 H GLN A 51 12.236 29.745 -5.963 1.00 0.62 H new ATOM 0 HA GLN A 51 12.432 29.137 -3.212 1.00 0.60 H new ATOM 0 HB2 GLN A 51 10.912 30.840 -3.992 1.00 0.59 H new ATOM 0 HB3 GLN A 51 10.090 29.714 -5.054 1.00 0.59 H new ATOM 0 HG2 GLN A 51 8.732 30.159 -3.071 1.00 0.60 H new ATOM 0 HG3 GLN A 51 9.212 28.474 -3.113 1.00 0.60 H new ATOM 0 HE21 GLN A 51 9.017 28.090 -0.903 1.00 0.87 H new ATOM 0 HE22 GLN A 51 10.113 28.804 0.284 1.00 0.87 H new ATOM 773 N GLU A 52 11.460 26.891 -2.812 1.00 0.57 N ATOM 774 CA GLU A 52 11.098 25.510 -2.569 1.00 0.55 C ATOM 775 C GLU A 52 9.576 25.364 -2.506 1.00 0.50 C ATOM 776 O GLU A 52 8.908 26.080 -1.752 1.00 0.55 O ATOM 777 CB GLU A 52 11.722 25.050 -1.254 1.00 0.63 C ATOM 778 CG GLU A 52 11.995 23.559 -1.195 1.00 1.15 C ATOM 779 CD GLU A 52 12.483 23.115 0.167 1.00 1.94 C ATOM 780 OE1 GLU A 52 11.645 22.695 0.982 1.00 2.44 O ATOM 781 OE2 GLU A 52 13.711 23.172 0.425 1.00 2.51 O ATOM 0 H GLU A 52 11.764 27.394 -1.978 1.00 0.57 H new ATOM 0 HA GLU A 52 11.471 24.891 -3.385 1.00 0.55 H new ATOM 0 HB2 GLU A 52 12.657 25.588 -1.099 1.00 0.63 H new ATOM 0 HB3 GLU A 52 11.058 25.321 -0.433 1.00 0.63 H new ATOM 0 HG2 GLU A 52 11.084 23.015 -1.446 1.00 1.15 H new ATOM 0 HG3 GLU A 52 12.740 23.299 -1.947 1.00 1.15 H new ATOM 788 N VAL A 53 9.038 24.463 -3.322 1.00 0.43 N ATOM 789 CA VAL A 53 7.606 24.176 -3.332 1.00 0.40 C ATOM 790 C VAL A 53 7.370 22.682 -3.535 1.00 0.41 C ATOM 791 O VAL A 53 8.222 21.982 -4.085 1.00 0.44 O ATOM 792 CB VAL A 53 6.864 24.955 -4.446 1.00 0.37 C ATOM 793 CG1 VAL A 53 6.859 26.453 -4.163 1.00 0.41 C ATOM 794 CG2 VAL A 53 7.490 24.675 -5.806 1.00 0.37 C ATOM 0 H VAL A 53 9.577 23.914 -3.991 1.00 0.43 H new ATOM 0 HA VAL A 53 7.211 24.495 -2.368 1.00 0.40 H new ATOM 0 HB VAL A 53 5.830 24.610 -4.460 1.00 0.37 H new ATOM 0 HG11 VAL A 53 6.331 26.973 -4.963 1.00 0.41 H new ATOM 0 HG12 VAL A 53 6.357 26.642 -3.214 1.00 0.41 H new ATOM 0 HG13 VAL A 53 7.885 26.817 -4.110 1.00 0.41 H new ATOM 0 HG21 VAL A 53 6.954 25.232 -6.575 1.00 0.37 H new ATOM 0 HG22 VAL A 53 8.535 24.984 -5.796 1.00 0.37 H new ATOM 0 HG23 VAL A 53 7.429 23.608 -6.022 1.00 0.37 H new ATOM 804 N GLU A 54 6.228 22.189 -3.085 1.00 0.47 N ATOM 805 CA GLU A 54 5.875 20.796 -3.304 1.00 0.54 C ATOM 806 C GLU A 54 4.520 20.696 -3.987 1.00 0.52 C ATOM 807 O GLU A 54 3.649 21.546 -3.795 1.00 0.54 O ATOM 808 CB GLU A 54 5.903 19.994 -1.996 1.00 0.72 C ATOM 809 CG GLU A 54 5.032 20.549 -0.881 1.00 0.81 C ATOM 810 CD GLU A 54 5.128 19.710 0.377 1.00 1.05 C ATOM 811 OE1 GLU A 54 6.262 19.411 0.810 1.00 1.49 O ATOM 812 OE2 GLU A 54 4.077 19.338 0.937 1.00 1.30 O ATOM 0 H GLU A 54 5.533 22.729 -2.569 1.00 0.47 H new ATOM 0 HA GLU A 54 6.624 20.356 -3.963 1.00 0.54 H new ATOM 0 HB2 GLU A 54 5.588 18.972 -2.208 1.00 0.72 H new ATOM 0 HB3 GLU A 54 6.932 19.943 -1.641 1.00 0.72 H new ATOM 0 HG2 GLU A 54 5.334 21.573 -0.659 1.00 0.81 H new ATOM 0 HG3 GLU A 54 3.995 20.587 -1.214 1.00 0.81 H new ATOM 819 N TYR A 55 4.357 19.669 -4.801 1.00 0.54 N ATOM 820 CA TYR A 55 3.187 19.542 -5.651 1.00 0.58 C ATOM 821 C TYR A 55 2.988 18.096 -6.085 1.00 0.64 C ATOM 822 O TYR A 55 3.823 17.233 -5.808 1.00 0.66 O ATOM 823 CB TYR A 55 3.328 20.465 -6.874 1.00 0.55 C ATOM 824 CG TYR A 55 4.527 20.173 -7.764 1.00 0.52 C ATOM 825 CD1 TYR A 55 5.823 20.184 -7.255 1.00 0.54 C ATOM 826 CD2 TYR A 55 4.360 19.908 -9.116 1.00 0.63 C ATOM 827 CE1 TYR A 55 6.912 19.931 -8.065 1.00 0.56 C ATOM 828 CE2 TYR A 55 5.445 19.656 -9.932 1.00 0.65 C ATOM 829 CZ TYR A 55 6.718 19.670 -9.402 1.00 0.57 C ATOM 830 OH TYR A 55 7.802 19.415 -10.208 1.00 0.63 O ATOM 0 H TYR A 55 5.026 18.905 -4.892 1.00 0.54 H new ATOM 0 HA TYR A 55 2.306 19.843 -5.083 1.00 0.58 H new ATOM 0 HB2 TYR A 55 2.421 20.389 -7.474 1.00 0.55 H new ATOM 0 HB3 TYR A 55 3.395 21.496 -6.527 1.00 0.55 H new ATOM 0 HD1 TYR A 55 5.979 20.394 -6.207 1.00 0.54 H new ATOM 0 HD2 TYR A 55 3.365 19.899 -9.537 1.00 0.63 H new ATOM 0 HE1 TYR A 55 7.910 19.938 -7.652 1.00 0.56 H new ATOM 0 HE2 TYR A 55 5.297 19.449 -10.982 1.00 0.65 H new ATOM 0 HH TYR A 55 8.086 18.485 -10.089 1.00 0.63 H new ATOM 840 N THR A 56 1.881 17.829 -6.757 1.00 0.72 N ATOM 841 CA THR A 56 1.578 16.483 -7.210 1.00 0.82 C ATOM 842 C THR A 56 1.254 16.469 -8.697 1.00 0.85 C ATOM 843 O THR A 56 0.642 17.404 -9.216 1.00 0.85 O ATOM 844 CB THR A 56 0.400 15.884 -6.416 1.00 0.88 C ATOM 845 OG1 THR A 56 -0.641 16.860 -6.282 1.00 0.84 O ATOM 846 CG2 THR A 56 0.853 15.419 -5.038 1.00 0.94 C ATOM 0 H THR A 56 1.178 18.526 -7.001 1.00 0.72 H new ATOM 0 HA THR A 56 2.464 15.873 -7.037 1.00 0.82 H new ATOM 0 HB THR A 56 0.021 15.020 -6.962 1.00 0.88 H new ATOM 0 HG1 THR A 56 -1.388 16.475 -5.778 1.00 0.84 H new ATOM 0 HG21 THR A 56 0.004 15.001 -4.498 1.00 0.94 H new ATOM 0 HG22 THR A 56 1.625 14.657 -5.147 1.00 0.94 H new ATOM 0 HG23 THR A 56 1.255 16.266 -4.482 1.00 0.94 H new ATOM 854 N LEU A 57 1.688 15.422 -9.387 1.00 0.96 N ATOM 855 CA LEU A 57 1.378 15.270 -10.802 1.00 1.03 C ATOM 856 C LEU A 57 -0.080 14.903 -10.983 1.00 1.12 C ATOM 857 O LEU A 57 -0.543 13.885 -10.471 1.00 1.19 O ATOM 858 CB LEU A 57 2.270 14.214 -11.456 1.00 1.09 C ATOM 859 CG LEU A 57 3.743 14.599 -11.577 1.00 1.04 C ATOM 860 CD1 LEU A 57 4.557 13.448 -12.155 1.00 1.13 C ATOM 861 CD2 LEU A 57 3.886 15.847 -12.436 1.00 1.03 C ATOM 0 H LEU A 57 2.252 14.670 -8.992 1.00 0.96 H new ATOM 0 HA LEU A 57 1.570 16.225 -11.291 1.00 1.03 H new ATOM 0 HB2 LEU A 57 2.197 13.291 -10.880 1.00 1.09 H new ATOM 0 HB3 LEU A 57 1.883 13.999 -12.452 1.00 1.09 H new ATOM 0 HG LEU A 57 4.130 14.815 -10.581 1.00 1.04 H new ATOM 0 HD11 LEU A 57 5.603 13.745 -12.232 1.00 1.13 H new ATOM 0 HD12 LEU A 57 4.474 12.579 -11.502 1.00 1.13 H new ATOM 0 HD13 LEU A 57 4.178 13.195 -13.145 1.00 1.13 H new ATOM 0 HD21 LEU A 57 4.940 16.114 -12.517 1.00 1.03 H new ATOM 0 HD22 LEU A 57 3.484 15.652 -13.430 1.00 1.03 H new ATOM 0 HD23 LEU A 57 3.337 16.669 -11.977 1.00 1.03 H new ATOM 873 N ALA A 58 -0.787 15.732 -11.728 1.00 1.17 N ATOM 874 CA ALA A 58 -2.223 15.567 -11.907 1.00 1.30 C ATOM 875 C ALA A 58 -2.537 14.454 -12.895 1.00 1.40 C ATOM 876 O ALA A 58 -3.572 13.796 -12.796 1.00 2.04 O ATOM 877 CB ALA A 58 -2.850 16.871 -12.376 1.00 1.33 C ATOM 0 H ALA A 58 -0.391 16.531 -12.222 1.00 1.17 H new ATOM 0 HA ALA A 58 -2.648 15.291 -10.942 1.00 1.30 H new ATOM 0 HB1 ALA A 58 -3.923 16.733 -12.506 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -2.671 17.648 -11.633 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -2.405 17.168 -13.326 1.00 1.33 H new ATOM 1026 N LEU A 70 1.549 17.239 -19.521 1.00 1.49 N ATOM 1027 CA LEU A 70 0.297 17.585 -18.869 1.00 1.50 C ATOM 1028 C LEU A 70 0.551 18.389 -17.595 1.00 1.25 C ATOM 1029 O LEU A 70 1.599 18.249 -16.964 1.00 1.15 O ATOM 1030 CB LEU A 70 -0.526 16.314 -18.589 1.00 1.71 C ATOM 1031 CG LEU A 70 0.262 15.072 -18.142 1.00 1.88 C ATOM 1032 CD1 LEU A 70 0.714 15.192 -16.694 1.00 2.30 C ATOM 1033 CD2 LEU A 70 -0.572 13.819 -18.349 1.00 2.29 C ATOM 0 HA LEU A 70 -0.285 18.219 -19.538 1.00 1.50 H new ATOM 0 HB2 LEU A 70 -1.262 16.547 -17.819 1.00 1.71 H new ATOM 0 HB3 LEU A 70 -1.080 16.060 -19.493 1.00 1.71 H new ATOM 0 HG LEU A 70 1.159 14.999 -18.757 1.00 1.88 H new ATOM 0 HD11 LEU A 70 1.268 14.297 -16.410 1.00 2.30 H new ATOM 0 HD12 LEU A 70 1.356 16.066 -16.584 1.00 2.30 H new ATOM 0 HD13 LEU A 70 -0.158 15.299 -16.048 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -0.003 12.946 -18.029 1.00 2.29 H new ATOM 0 HD22 LEU A 70 -1.488 13.890 -17.762 1.00 2.29 H new ATOM 0 HD23 LEU A 70 -0.824 13.720 -19.405 1.00 2.29 H new ATOM 1045 N PRO A 71 -0.408 19.248 -17.206 1.00 1.22 N ATOM 1046 CA PRO A 71 -0.252 20.144 -16.057 1.00 1.05 C ATOM 1047 C PRO A 71 -0.201 19.409 -14.718 1.00 0.97 C ATOM 1048 O PRO A 71 -0.786 18.334 -14.549 1.00 1.14 O ATOM 1049 CB PRO A 71 -1.500 21.031 -16.114 1.00 1.18 C ATOM 1050 CG PRO A 71 -2.502 20.225 -16.862 1.00 1.38 C ATOM 1051 CD PRO A 71 -1.718 19.423 -17.863 1.00 1.43 C ATOM 0 HA PRO A 71 0.690 20.689 -16.115 1.00 1.05 H new ATOM 0 HB2 PRO A 71 -1.857 21.277 -15.114 1.00 1.18 H new ATOM 0 HB3 PRO A 71 -1.293 21.974 -16.620 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -3.060 19.573 -16.190 1.00 1.38 H new ATOM 0 HG3 PRO A 71 -3.229 20.868 -17.359 1.00 1.38 H new ATOM 0 HD2 PRO A 71 -2.194 18.465 -18.073 1.00 1.43 H new ATOM 0 HD3 PRO A 71 -1.624 19.947 -18.814 1.00 1.43 H new ATOM 1059 N ALA A 72 0.515 20.002 -13.780 1.00 0.80 N ATOM 1060 CA ALA A 72 0.536 19.530 -12.407 1.00 0.74 C ATOM 1061 C ALA A 72 -0.397 20.390 -11.565 1.00 0.72 C ATOM 1062 O ALA A 72 -0.552 21.580 -11.845 1.00 0.82 O ATOM 1063 CB ALA A 72 1.952 19.588 -11.851 1.00 0.70 C ATOM 0 H ALA A 72 1.097 20.823 -13.948 1.00 0.80 H new ATOM 0 HA ALA A 72 0.198 18.494 -12.376 1.00 0.74 H new ATOM 0 HB1 ALA A 72 1.953 19.231 -10.821 1.00 0.70 H new ATOM 0 HB2 ALA A 72 2.606 18.958 -12.454 1.00 0.70 H new ATOM 0 HB3 ALA A 72 2.312 20.616 -11.879 1.00 0.70 H new ATOM 1069 N GLU A 73 -1.016 19.798 -10.550 1.00 0.74 N ATOM 1070 CA GLU A 73 -1.935 20.538 -9.693 1.00 0.77 C ATOM 1071 C GLU A 73 -1.533 20.396 -8.232 1.00 0.69 C ATOM 1072 O GLU A 73 -0.581 19.678 -7.910 1.00 0.71 O ATOM 1073 CB GLU A 73 -3.381 20.059 -9.877 1.00 0.94 C ATOM 1074 CG GLU A 73 -3.655 18.672 -9.309 1.00 1.28 C ATOM 1075 CD GLU A 73 -5.120 18.290 -9.380 1.00 1.84 C ATOM 1076 OE1 GLU A 73 -5.815 18.390 -8.348 1.00 2.30 O ATOM 1077 OE2 GLU A 73 -5.591 17.891 -10.468 1.00 2.28 O ATOM 0 H GLU A 73 -0.900 18.816 -10.301 1.00 0.74 H new ATOM 0 HA GLU A 73 -1.880 21.587 -9.983 1.00 0.77 H new ATOM 0 HB2 GLU A 73 -4.052 20.774 -9.401 1.00 0.94 H new ATOM 0 HB3 GLU A 73 -3.619 20.058 -10.941 1.00 0.94 H new ATOM 0 HG2 GLU A 73 -3.065 17.937 -9.856 1.00 1.28 H new ATOM 0 HG3 GLU A 73 -3.325 18.637 -8.271 1.00 1.28 H new ATOM 1084 N ASN A 74 -2.264 21.096 -7.358 1.00 0.68 N ATOM 1085 CA ASN A 74 -2.026 21.042 -5.913 1.00 0.69 C ATOM 1086 C ASN A 74 -0.637 21.591 -5.598 1.00 0.59 C ATOM 1087 O ASN A 74 -0.004 21.217 -4.612 1.00 0.66 O ATOM 1088 CB ASN A 74 -2.186 19.600 -5.406 1.00 0.81 C ATOM 1089 CG ASN A 74 -2.169 19.481 -3.889 1.00 1.39 C ATOM 1090 OD1 ASN A 74 -2.568 20.400 -3.166 1.00 1.81 O ATOM 1091 ND2 ASN A 74 -1.723 18.336 -3.395 1.00 2.01 N ATOM 0 H ASN A 74 -3.031 21.711 -7.630 1.00 0.68 H new ATOM 0 HA ASN A 74 -2.761 21.661 -5.399 1.00 0.69 H new ATOM 0 HB2 ASN A 74 -3.124 19.193 -5.783 1.00 0.81 H new ATOM 0 HB3 ASN A 74 -1.384 18.988 -5.819 1.00 0.81 H new ATOM 0 HD21 ASN A 74 -1.701 18.190 -2.386 1.00 2.01 H new ATOM 0 HD22 ASN A 74 -1.402 17.600 -4.024 1.00 2.01 H new ATOM 1098 N VAL A 75 -0.172 22.493 -6.456 1.00 0.66 N ATOM 1099 CA VAL A 75 1.122 23.134 -6.270 1.00 0.58 C ATOM 1100 C VAL A 75 1.084 24.027 -5.037 1.00 0.59 C ATOM 1101 O VAL A 75 0.290 24.967 -4.962 1.00 0.64 O ATOM 1102 CB VAL A 75 1.534 23.955 -7.510 1.00 0.56 C ATOM 1103 CG1 VAL A 75 2.977 24.417 -7.392 1.00 0.72 C ATOM 1104 CG2 VAL A 75 1.340 23.143 -8.779 1.00 0.80 C ATOM 0 H VAL A 75 -0.675 22.797 -7.290 1.00 0.66 H new ATOM 0 HA VAL A 75 1.868 22.352 -6.130 1.00 0.58 H new ATOM 0 HB VAL A 75 0.893 24.835 -7.563 1.00 0.56 H new ATOM 0 HG11 VAL A 75 3.248 24.994 -8.276 1.00 0.72 H new ATOM 0 HG12 VAL A 75 3.088 25.040 -6.504 1.00 0.72 H new ATOM 0 HG13 VAL A 75 3.631 23.549 -7.311 1.00 0.72 H new ATOM 0 HG21 VAL A 75 1.636 23.740 -9.642 1.00 0.80 H new ATOM 0 HG22 VAL A 75 1.953 22.243 -8.732 1.00 0.80 H new ATOM 0 HG23 VAL A 75 0.291 22.863 -8.875 1.00 0.80 H new ATOM 1114 N ARG A 76 1.930 23.716 -4.070 1.00 0.58 N ATOM 1115 CA ARG A 76 1.845 24.339 -2.766 1.00 0.62 C ATOM 1116 C ARG A 76 3.211 24.809 -2.277 1.00 0.55 C ATOM 1117 O ARG A 76 4.225 24.137 -2.476 1.00 0.52 O ATOM 1118 CB ARG A 76 1.252 23.326 -1.784 1.00 0.73 C ATOM 1119 CG ARG A 76 0.789 23.915 -0.464 1.00 1.28 C ATOM 1120 CD ARG A 76 0.177 22.843 0.426 1.00 1.58 C ATOM 1121 NE ARG A 76 -0.873 22.082 -0.264 1.00 2.10 N ATOM 1122 CZ ARG A 76 -1.975 21.618 0.328 1.00 2.75 C ATOM 1123 NH1 ARG A 76 -2.152 21.789 1.633 1.00 3.11 N ATOM 1124 NH2 ARG A 76 -2.887 20.954 -0.381 1.00 3.51 N ATOM 0 H ARG A 76 2.683 23.035 -4.166 1.00 0.58 H new ATOM 0 HA ARG A 76 1.208 25.221 -2.835 1.00 0.62 H new ATOM 0 HB2 ARG A 76 0.406 22.831 -2.261 1.00 0.73 H new ATOM 0 HB3 ARG A 76 1.998 22.558 -1.581 1.00 0.73 H new ATOM 0 HG2 ARG A 76 1.632 24.379 0.047 1.00 1.28 H new ATOM 0 HG3 ARG A 76 0.057 24.701 -0.649 1.00 1.28 H new ATOM 0 HD2 ARG A 76 0.959 22.160 0.759 1.00 1.58 H new ATOM 0 HD3 ARG A 76 -0.241 23.309 1.318 1.00 1.58 H new ATOM 0 HE ARG A 76 -0.752 21.896 -1.260 1.00 2.10 H new ATOM 0 HH11 ARG A 76 -1.445 22.276 2.184 1.00 3.11 H new ATOM 0 HH12 ARG A 76 -2.995 21.434 2.084 1.00 3.11 H new ATOM 0 HH21 ARG A 76 -2.744 20.799 -1.379 1.00 3.51 H new ATOM 0 HH22 ARG A 76 -3.729 20.600 0.074 1.00 3.51 H new ATOM 1138 N MET A 77 3.228 25.977 -1.650 1.00 0.63 N ATOM 1139 CA MET A 77 4.438 26.491 -1.018 1.00 0.60 C ATOM 1140 C MET A 77 4.762 25.695 0.239 1.00 0.70 C ATOM 1141 O MET A 77 3.860 25.187 0.909 1.00 0.91 O ATOM 1142 CB MET A 77 4.275 27.957 -0.613 1.00 0.72 C ATOM 1143 CG MET A 77 4.518 28.979 -1.711 1.00 0.80 C ATOM 1144 SD MET A 77 4.327 30.662 -1.077 1.00 1.12 S ATOM 1145 CE MET A 77 4.856 31.648 -2.469 1.00 0.86 C ATOM 0 H MET A 77 2.416 26.589 -1.565 1.00 0.63 H new ATOM 0 HA MET A 77 5.242 26.398 -1.748 1.00 0.60 H new ATOM 0 HB2 MET A 77 3.265 28.098 -0.229 1.00 0.72 H new ATOM 0 HB3 MET A 77 4.960 28.165 0.209 1.00 0.72 H new ATOM 0 HG2 MET A 77 5.521 28.851 -2.118 1.00 0.80 H new ATOM 0 HG3 MET A 77 3.818 28.813 -2.530 1.00 0.80 H new ATOM 0 HE1 MET A 77 5.262 32.594 -2.111 1.00 0.86 H new ATOM 0 HE2 MET A 77 5.625 31.111 -3.024 1.00 0.86 H new ATOM 0 HE3 MET A 77 4.005 31.842 -3.122 1.00 0.86 H new ATOM 1155 N LEU A 78 6.045 25.588 0.558 1.00 0.65 N ATOM 1156 CA LEU A 78 6.458 25.036 1.843 1.00 0.83 C ATOM 1157 C LEU A 78 7.727 25.743 2.316 1.00 0.83 C ATOM 1158 O LEU A 78 8.376 26.440 1.530 1.00 0.93 O ATOM 1159 CB LEU A 78 6.685 23.519 1.768 1.00 0.99 C ATOM 1160 CG LEU A 78 8.100 23.077 1.393 1.00 1.05 C ATOM 1161 CD1 LEU A 78 8.372 21.683 1.929 1.00 1.49 C ATOM 1162 CD2 LEU A 78 8.291 23.104 -0.110 1.00 1.67 C ATOM 0 H LEU A 78 6.813 25.873 -0.049 1.00 0.65 H new ATOM 0 HA LEU A 78 5.655 25.205 2.560 1.00 0.83 H new ATOM 0 HB2 LEU A 78 6.433 23.084 2.735 1.00 0.99 H new ATOM 0 HB3 LEU A 78 5.989 23.102 1.040 1.00 0.99 H new ATOM 0 HG LEU A 78 8.807 23.774 1.842 1.00 1.05 H new ATOM 0 HD11 LEU A 78 9.382 21.379 1.656 1.00 1.49 H new ATOM 0 HD12 LEU A 78 8.275 21.685 3.015 1.00 1.49 H new ATOM 0 HD13 LEU A 78 7.654 20.983 1.502 1.00 1.49 H new ATOM 0 HD21 LEU A 78 9.305 22.786 -0.354 1.00 1.67 H new ATOM 0 HD22 LEU A 78 7.576 22.429 -0.580 1.00 1.67 H new ATOM 0 HD23 LEU A 78 8.130 24.117 -0.479 1.00 1.67 H new ATOM 1174 N PRO A 79 8.073 25.628 3.611 1.00 1.15 N ATOM 1175 CA PRO A 79 9.306 26.208 4.140 1.00 1.27 C ATOM 1176 C PRO A 79 10.547 25.566 3.540 1.00 1.13 C ATOM 1177 O PRO A 79 10.487 24.473 2.986 1.00 1.59 O ATOM 1178 CB PRO A 79 9.237 25.930 5.647 1.00 1.97 C ATOM 1179 CG PRO A 79 7.806 25.612 5.917 1.00 2.15 C ATOM 1180 CD PRO A 79 7.288 24.964 4.665 1.00 1.65 C ATOM 0 HA PRO A 79 9.383 27.269 3.900 1.00 1.27 H new ATOM 0 HB2 PRO A 79 9.885 25.099 5.925 1.00 1.97 H new ATOM 0 HB3 PRO A 79 9.564 26.796 6.223 1.00 1.97 H new ATOM 0 HG2 PRO A 79 7.709 24.944 6.772 1.00 2.15 H new ATOM 0 HG3 PRO A 79 7.242 26.515 6.152 1.00 2.15 H new ATOM 0 HD2 PRO A 79 7.448 23.886 4.671 1.00 1.65 H new ATOM 0 HD3 PRO A 79 6.218 25.127 4.537 1.00 1.65 H new ATOM 1188 N LYS A 80 11.667 26.260 3.669 1.00 1.09 N ATOM 1189 CA LYS A 80 12.934 25.814 3.104 1.00 1.37 C ATOM 1190 C LYS A 80 13.522 24.640 3.898 1.00 1.18 C ATOM 1191 O LYS A 80 12.863 24.067 4.770 1.00 1.19 O ATOM 1192 CB LYS A 80 13.928 26.986 3.113 1.00 1.96 C ATOM 1193 CG LYS A 80 14.204 27.517 4.517 1.00 2.65 C ATOM 1194 CD LYS A 80 15.306 28.566 4.540 1.00 3.44 C ATOM 1195 CE LYS A 80 14.868 29.876 3.907 1.00 4.04 C ATOM 1196 NZ LYS A 80 15.903 30.925 4.079 1.00 4.61 N ATOM 0 H LYS A 80 11.725 27.148 4.168 1.00 1.09 H new ATOM 0 HA LYS A 80 12.754 25.474 2.084 1.00 1.37 H new ATOM 0 HB2 LYS A 80 14.866 26.664 2.660 1.00 1.96 H new ATOM 0 HB3 LYS A 80 13.536 27.794 2.495 1.00 1.96 H new ATOM 0 HG2 LYS A 80 13.289 27.947 4.925 1.00 2.65 H new ATOM 0 HG3 LYS A 80 14.483 26.688 5.167 1.00 2.65 H new ATOM 0 HD2 LYS A 80 15.611 28.747 5.571 1.00 3.44 H new ATOM 0 HD3 LYS A 80 16.180 28.184 4.012 1.00 3.44 H new ATOM 0 HE2 LYS A 80 14.674 29.723 2.845 1.00 4.04 H new ATOM 0 HE3 LYS A 80 13.932 30.206 4.358 1.00 4.04 H new ATOM 0 HZ1 LYS A 80 15.578 31.809 3.638 1.00 4.61 H new ATOM 0 HZ2 LYS A 80 16.070 31.085 5.093 1.00 4.61 H new ATOM 0 HZ3 LYS A 80 16.788 30.617 3.627 1.00 4.61 H new ATOM 1210 N ASN A 81 14.776 24.309 3.579 1.00 1.26 N ATOM 1211 CA ASN A 81 15.582 23.341 4.334 1.00 1.35 C ATOM 1212 C ASN A 81 15.217 21.893 4.003 1.00 1.23 C ATOM 1213 O ASN A 81 15.534 20.976 4.763 1.00 1.43 O ATOM 1214 CB ASN A 81 15.460 23.589 5.844 1.00 1.57 C ATOM 1215 CG ASN A 81 16.714 23.204 6.611 1.00 2.26 C ATOM 1216 OD1 ASN A 81 17.600 24.031 6.819 1.00 2.84 O ATOM 1217 ND2 ASN A 81 16.794 21.955 7.040 1.00 2.81 N ATOM 0 H ASN A 81 15.268 24.709 2.780 1.00 1.26 H new ATOM 0 HA ASN A 81 16.618 23.492 4.031 1.00 1.35 H new ATOM 0 HB2 ASN A 81 15.244 24.643 6.017 1.00 1.57 H new ATOM 0 HB3 ASN A 81 14.614 23.022 6.233 1.00 1.57 H new ATOM 0 HD21 ASN A 81 17.613 21.647 7.565 1.00 2.81 H new ATOM 0 HD22 ASN A 81 16.037 21.300 6.846 1.00 2.81 H new ATOM 1224 N SER A 82 14.576 21.672 2.866 1.00 1.01 N ATOM 1225 CA SER A 82 14.378 20.313 2.390 1.00 1.03 C ATOM 1226 C SER A 82 15.504 19.949 1.432 1.00 0.96 C ATOM 1227 O SER A 82 16.003 18.823 1.433 1.00 1.12 O ATOM 1228 CB SER A 82 13.036 20.161 1.686 1.00 1.08 C ATOM 1229 OG SER A 82 11.974 20.659 2.481 1.00 1.70 O ATOM 0 H SER A 82 14.191 22.401 2.266 1.00 1.01 H new ATOM 0 HA SER A 82 14.384 19.642 3.249 1.00 1.03 H new ATOM 0 HB2 SER A 82 13.060 20.693 0.735 1.00 1.08 H new ATOM 0 HB3 SER A 82 12.860 19.110 1.459 1.00 1.08 H new ATOM 0 HG SER A 82 11.750 21.569 2.195 1.00 1.70 H new ATOM 1235 N ILE A 83 15.892 20.915 0.608 1.00 0.83 N ATOM 1236 CA ILE A 83 17.005 20.738 -0.309 1.00 0.77 C ATOM 1237 C ILE A 83 18.329 21.023 0.399 1.00 0.76 C ATOM 1238 O ILE A 83 18.550 22.126 0.910 1.00 0.78 O ATOM 1239 CB ILE A 83 16.841 21.632 -1.566 1.00 0.76 C ATOM 1240 CG1 ILE A 83 15.816 21.031 -2.518 1.00 0.92 C ATOM 1241 CG2 ILE A 83 18.144 21.848 -2.306 1.00 0.79 C ATOM 1242 CD1 ILE A 83 14.408 21.486 -2.257 1.00 0.69 C ATOM 0 H ILE A 83 15.448 21.832 0.558 1.00 0.83 H new ATOM 0 HA ILE A 83 17.011 19.700 -0.642 1.00 0.77 H new ATOM 0 HB ILE A 83 16.497 22.603 -1.210 1.00 0.76 H new ATOM 0 HG12 ILE A 83 16.088 21.290 -3.541 1.00 0.92 H new ATOM 0 HG13 ILE A 83 15.857 19.944 -2.443 1.00 0.92 H new ATOM 0 HG21 ILE A 83 17.968 22.481 -3.176 1.00 0.79 H new ATOM 0 HG22 ILE A 83 18.862 22.333 -1.644 1.00 0.79 H new ATOM 0 HG23 ILE A 83 18.542 20.887 -2.631 1.00 0.79 H new ATOM 0 HD11 ILE A 83 13.735 21.016 -2.974 1.00 0.69 H new ATOM 0 HD12 ILE A 83 14.116 21.203 -1.246 1.00 0.69 H new ATOM 0 HD13 ILE A 83 14.351 22.569 -2.361 1.00 0.69 H new ATOM 1254 N PRO A 84 19.211 20.013 0.454 1.00 0.82 N ATOM 1255 CA PRO A 84 20.514 20.112 1.122 1.00 0.89 C ATOM 1256 C PRO A 84 21.535 20.879 0.298 1.00 0.83 C ATOM 1257 O PRO A 84 21.378 21.043 -0.913 1.00 0.82 O ATOM 1258 CB PRO A 84 20.951 18.660 1.234 1.00 1.03 C ATOM 1259 CG PRO A 84 20.355 18.019 0.033 1.00 1.03 C ATOM 1260 CD PRO A 84 19.012 18.675 -0.144 1.00 0.91 C ATOM 0 HA PRO A 84 20.441 20.644 2.071 1.00 0.89 H new ATOM 0 HB2 PRO A 84 22.037 18.568 1.240 1.00 1.03 H new ATOM 0 HB3 PRO A 84 20.588 18.202 2.154 1.00 1.03 H new ATOM 0 HG2 PRO A 84 20.984 18.168 -0.845 1.00 1.03 H new ATOM 0 HG3 PRO A 84 20.252 16.943 0.172 1.00 1.03 H new ATOM 0 HD2 PRO A 84 18.731 18.741 -1.195 1.00 0.91 H new ATOM 0 HD3 PRO A 84 18.222 18.120 0.363 1.00 0.91 H new ATOM 1268 N GLN A 85 22.580 21.346 0.951 1.00 0.88 N ATOM 1269 CA GLN A 85 23.641 22.028 0.243 1.00 0.88 C ATOM 1270 C GLN A 85 24.742 21.039 -0.137 1.00 0.77 C ATOM 1271 O GLN A 85 24.898 19.997 0.509 1.00 0.74 O ATOM 1272 CB GLN A 85 24.222 23.171 1.086 1.00 1.06 C ATOM 1273 CG GLN A 85 25.069 22.700 2.259 1.00 1.73 C ATOM 1274 CD GLN A 85 25.690 23.845 3.033 1.00 2.21 C ATOM 1275 OE1 GLN A 85 26.778 24.316 2.698 1.00 2.76 O ATOM 1276 NE2 GLN A 85 25.018 24.292 4.084 1.00 2.65 N ATOM 0 H GLN A 85 22.716 21.267 1.959 1.00 0.88 H new ATOM 0 HA GLN A 85 23.220 22.458 -0.666 1.00 0.88 H new ATOM 0 HB2 GLN A 85 24.829 23.810 0.445 1.00 1.06 H new ATOM 0 HB3 GLN A 85 23.403 23.784 1.464 1.00 1.06 H new ATOM 0 HG2 GLN A 85 24.451 22.106 2.932 1.00 1.73 H new ATOM 0 HG3 GLN A 85 25.859 22.046 1.891 1.00 1.73 H new ATOM 0 HE21 GLN A 85 24.120 23.876 4.330 1.00 2.65 H new ATOM 0 HE22 GLN A 85 25.399 25.052 4.647 1.00 2.65 H new ATOM 1285 N PRO A 86 25.501 21.335 -1.206 1.00 0.81 N ATOM 1286 CA PRO A 86 26.655 20.521 -1.608 1.00 0.79 C ATOM 1287 C PRO A 86 27.749 20.547 -0.543 1.00 0.77 C ATOM 1288 O PRO A 86 27.751 21.417 0.336 1.00 0.85 O ATOM 1289 CB PRO A 86 27.144 21.194 -2.897 1.00 0.88 C ATOM 1290 CG PRO A 86 26.007 22.033 -3.359 1.00 1.08 C ATOM 1291 CD PRO A 86 25.289 22.469 -2.118 1.00 0.95 C ATOM 0 HA PRO A 86 26.396 19.471 -1.744 1.00 0.79 H new ATOM 0 HB2 PRO A 86 28.030 21.801 -2.712 1.00 0.88 H new ATOM 0 HB3 PRO A 86 27.416 20.453 -3.648 1.00 0.88 H new ATOM 0 HG2 PRO A 86 26.361 22.893 -3.928 1.00 1.08 H new ATOM 0 HG3 PRO A 86 25.345 21.467 -4.015 1.00 1.08 H new ATOM 0 HD2 PRO A 86 25.701 23.394 -1.716 1.00 0.95 H new ATOM 0 HD3 PRO A 86 24.230 22.646 -2.304 1.00 0.95 H new ATOM 1299 N ALA A 87 28.689 19.620 -0.618 1.00 0.84 N ATOM 1300 CA ALA A 87 29.730 19.545 0.391 1.00 0.93 C ATOM 1301 C ALA A 87 31.116 19.589 -0.230 1.00 0.90 C ATOM 1302 O ALA A 87 31.688 18.560 -0.594 1.00 0.98 O ATOM 1303 CB ALA A 87 29.563 18.288 1.229 1.00 1.10 C ATOM 0 H ALA A 87 28.753 18.919 -1.356 1.00 0.84 H new ATOM 0 HA ALA A 87 29.630 20.417 1.037 1.00 0.93 H new ATOM 0 HB1 ALA A 87 30.350 18.245 1.981 1.00 1.10 H new ATOM 0 HB2 ALA A 87 28.591 18.306 1.722 1.00 1.10 H new ATOM 0 HB3 ALA A 87 29.628 17.411 0.586 1.00 1.10 H new ATOM 1309 N VAL A 88 31.642 20.802 -0.347 1.00 0.87 N ATOM 1310 CA VAL A 88 33.013 21.032 -0.780 1.00 0.88 C ATOM 1311 C VAL A 88 33.560 22.220 0.003 1.00 1.02 C ATOM 1312 O VAL A 88 32.785 23.069 0.440 1.00 1.23 O ATOM 1313 CB VAL A 88 33.122 21.327 -2.301 1.00 0.81 C ATOM 1314 CG1 VAL A 88 34.570 21.287 -2.758 1.00 0.87 C ATOM 1315 CG2 VAL A 88 32.301 20.345 -3.114 1.00 0.94 C ATOM 0 H VAL A 88 31.126 21.658 -0.143 1.00 0.87 H new ATOM 0 HA VAL A 88 33.586 20.124 -0.592 1.00 0.88 H new ATOM 0 HB VAL A 88 32.726 22.329 -2.466 1.00 0.81 H new ATOM 0 HG11 VAL A 88 34.620 21.497 -3.826 1.00 0.87 H new ATOM 0 HG12 VAL A 88 35.144 22.037 -2.214 1.00 0.87 H new ATOM 0 HG13 VAL A 88 34.986 20.299 -2.562 1.00 0.87 H new ATOM 0 HG21 VAL A 88 32.399 20.579 -4.174 1.00 0.94 H new ATOM 0 HG22 VAL A 88 32.660 19.332 -2.931 1.00 0.94 H new ATOM 0 HG23 VAL A 88 31.253 20.417 -2.822 1.00 0.94 H new ATOM 1325 N LEU A 89 34.869 22.288 0.195 1.00 1.09 N ATOM 1326 CA LEU A 89 35.447 23.384 0.967 1.00 1.27 C ATOM 1327 C LEU A 89 35.726 24.600 0.086 1.00 1.15 C ATOM 1328 O LEU A 89 35.143 25.665 0.288 1.00 1.29 O ATOM 1329 CB LEU A 89 36.734 22.941 1.681 1.00 1.54 C ATOM 1330 CG LEU A 89 36.542 22.097 2.951 1.00 2.14 C ATOM 1331 CD1 LEU A 89 35.678 22.830 3.969 1.00 2.87 C ATOM 1332 CD2 LEU A 89 35.947 20.736 2.622 1.00 2.45 C ATOM 0 H LEU A 89 35.543 21.612 -0.165 1.00 1.09 H new ATOM 0 HA LEU A 89 34.713 23.669 1.721 1.00 1.27 H new ATOM 0 HB2 LEU A 89 37.339 22.370 0.977 1.00 1.54 H new ATOM 0 HB3 LEU A 89 37.306 23.831 1.943 1.00 1.54 H new ATOM 0 HG LEU A 89 37.526 21.937 3.393 1.00 2.14 H new ATOM 0 HD11 LEU A 89 35.558 22.210 4.858 1.00 2.87 H new ATOM 0 HD12 LEU A 89 36.157 23.770 4.244 1.00 2.87 H new ATOM 0 HD13 LEU A 89 34.699 23.035 3.535 1.00 2.87 H new ATOM 0 HD21 LEU A 89 35.823 20.162 3.540 1.00 2.45 H new ATOM 0 HD22 LEU A 89 34.977 20.869 2.143 1.00 2.45 H new ATOM 0 HD23 LEU A 89 36.614 20.201 1.947 1.00 2.45 H new ATOM 1344 N GLU A 90 36.590 24.440 -0.912 1.00 1.05 N ATOM 1345 CA GLU A 90 36.965 25.565 -1.762 1.00 1.13 C ATOM 1346 C GLU A 90 36.066 25.652 -2.993 1.00 1.04 C ATOM 1347 O GLU A 90 35.381 26.654 -3.211 1.00 1.34 O ATOM 1348 CB GLU A 90 38.427 25.408 -2.197 1.00 1.30 C ATOM 1349 CG GLU A 90 38.928 26.505 -3.122 1.00 1.98 C ATOM 1350 CD GLU A 90 39.064 27.837 -2.428 1.00 2.31 C ATOM 1351 OE1 GLU A 90 40.106 28.076 -1.787 1.00 2.59 O ATOM 1352 OE2 GLU A 90 38.122 28.648 -2.514 1.00 2.84 O ATOM 0 H GLU A 90 37.038 23.555 -1.150 1.00 1.05 H new ATOM 0 HA GLU A 90 36.844 26.485 -1.190 1.00 1.13 H new ATOM 0 HB2 GLU A 90 39.057 25.383 -1.308 1.00 1.30 H new ATOM 0 HB3 GLU A 90 38.543 24.447 -2.697 1.00 1.30 H new ATOM 0 HG2 GLU A 90 39.895 26.214 -3.533 1.00 1.98 H new ATOM 0 HG3 GLU A 90 38.242 26.607 -3.963 1.00 1.98 H new ATOM 1359 N THR A 91 36.022 24.562 -3.746 1.00 0.84 N ATOM 1360 CA THR A 91 35.305 24.508 -5.010 1.00 0.77 C ATOM 1361 C THR A 91 35.726 23.240 -5.745 1.00 0.77 C ATOM 1362 O THR A 91 36.716 22.613 -5.359 1.00 0.95 O ATOM 1363 CB THR A 91 35.605 25.753 -5.886 1.00 0.81 C ATOM 1364 OG1 THR A 91 34.587 25.921 -6.874 1.00 1.42 O ATOM 1365 CG2 THR A 91 36.969 25.651 -6.568 1.00 1.41 C ATOM 0 H THR A 91 36.484 23.688 -3.496 1.00 0.84 H new ATOM 0 HA THR A 91 34.233 24.499 -4.812 1.00 0.77 H new ATOM 0 HB THR A 91 35.621 26.620 -5.225 1.00 0.81 H new ATOM 0 HG1 THR A 91 34.787 26.711 -7.419 1.00 1.42 H new ATOM 0 HG21 THR A 91 37.141 26.542 -7.172 1.00 1.41 H new ATOM 0 HG22 THR A 91 37.749 25.569 -5.811 1.00 1.41 H new ATOM 0 HG23 THR A 91 36.991 24.769 -7.208 1.00 1.41 H new ATOM 1373 N THR A 92 34.985 22.843 -6.767 1.00 0.69 N ATOM 1374 CA THR A 92 35.342 21.652 -7.521 1.00 0.73 C ATOM 1375 C THR A 92 35.906 22.018 -8.894 1.00 0.65 C ATOM 1376 O THR A 92 37.012 21.613 -9.248 1.00 0.69 O ATOM 1377 CB THR A 92 34.141 20.707 -7.689 1.00 0.81 C ATOM 1378 OG1 THR A 92 33.424 20.607 -6.452 1.00 1.30 O ATOM 1379 CG2 THR A 92 34.609 19.323 -8.115 1.00 0.82 C ATOM 0 H THR A 92 34.144 23.320 -7.091 1.00 0.69 H new ATOM 0 HA THR A 92 36.111 21.133 -6.949 1.00 0.73 H new ATOM 0 HB THR A 92 33.486 21.113 -8.460 1.00 0.81 H new ATOM 0 HG1 THR A 92 32.792 19.860 -6.500 1.00 1.30 H new ATOM 0 HG21 THR A 92 33.746 18.666 -8.229 1.00 0.82 H new ATOM 0 HG22 THR A 92 35.139 19.395 -9.065 1.00 0.82 H new ATOM 0 HG23 THR A 92 35.277 18.915 -7.356 1.00 0.82 H new ATOM 1387 N HIS A 93 35.145 22.795 -9.658 1.00 0.59 N ATOM 1388 CA HIS A 93 35.547 23.177 -11.010 1.00 0.54 C ATOM 1389 C HIS A 93 35.049 24.574 -11.341 1.00 0.49 C ATOM 1390 O HIS A 93 34.088 25.059 -10.746 1.00 0.63 O ATOM 1391 CB HIS A 93 34.995 22.200 -12.064 1.00 0.68 C ATOM 1392 CG HIS A 93 35.594 20.828 -12.037 1.00 0.62 C ATOM 1393 ND1 HIS A 93 35.067 19.657 -11.601 1.00 0.98 N flip ATOM 1394 CD2 HIS A 93 36.853 20.526 -12.509 1.00 0.72 C flip ATOM 1395 CE1 HIS A 93 35.989 18.636 -11.803 1.00 1.29 C flip ATOM 1396 NE2 HIS A 93 37.045 19.210 -12.353 1.00 1.10 N flip ATOM 0 H HIS A 93 34.245 23.174 -9.365 1.00 0.59 H new ATOM 0 HA HIS A 93 36.636 23.151 -11.036 1.00 0.54 H new ATOM 0 HB2 HIS A 93 33.918 22.111 -11.925 1.00 0.68 H new ATOM 0 HB3 HIS A 93 35.155 22.629 -13.053 1.00 0.68 H new ATOM 0 HD2 HIS A 93 37.559 21.226 -12.930 1.00 0.72 H new ATOM 0 HE1 HIS A 93 35.867 17.591 -11.561 1.00 1.29 H new ATOM 0 HE2 HIS A 93 37.895 18.715 -12.623 1.00 1.10 H new ATOM 1404 N ASN A 94 35.703 25.215 -12.289 1.00 0.45 N ATOM 1405 CA ASN A 94 35.218 26.475 -12.825 1.00 0.48 C ATOM 1406 C ASN A 94 34.899 26.283 -14.299 1.00 0.51 C ATOM 1407 O ASN A 94 35.037 25.179 -14.824 1.00 0.78 O ATOM 1408 CB ASN A 94 36.249 27.599 -12.641 1.00 0.57 C ATOM 1409 CG ASN A 94 37.499 27.413 -13.481 1.00 0.67 C ATOM 1410 OD1 ASN A 94 38.426 26.712 -13.089 1.00 1.36 O ATOM 1411 ND2 ASN A 94 37.536 28.057 -14.638 1.00 1.19 N ATOM 0 H ASN A 94 36.573 24.885 -12.706 1.00 0.45 H new ATOM 0 HA ASN A 94 34.320 26.771 -12.282 1.00 0.48 H new ATOM 0 HB2 ASN A 94 35.786 28.552 -12.897 1.00 0.57 H new ATOM 0 HB3 ASN A 94 36.531 27.654 -11.590 1.00 0.57 H new ATOM 0 HD21 ASN A 94 38.357 27.980 -15.239 1.00 1.19 H new ATOM 0 HD22 ASN A 94 36.744 28.630 -14.928 1.00 1.19 H new ATOM 1418 N GLY A 95 34.451 27.328 -14.965 1.00 0.45 N ATOM 1419 CA GLY A 95 34.230 27.229 -16.388 1.00 0.49 C ATOM 1420 C GLY A 95 33.585 28.465 -16.951 1.00 0.47 C ATOM 1421 O GLY A 95 33.515 29.498 -16.283 1.00 0.53 O ATOM 0 H GLY A 95 34.237 28.236 -14.552 1.00 0.45 H new ATOM 0 HA2 GLY A 95 35.182 27.057 -16.890 1.00 0.49 H new ATOM 0 HA3 GLY A 95 33.599 26.365 -16.597 1.00 0.49 H new ATOM 1425 N VAL A 96 33.120 28.364 -18.178 1.00 0.47 N ATOM 1426 CA VAL A 96 32.445 29.465 -18.825 1.00 0.48 C ATOM 1427 C VAL A 96 31.072 28.996 -19.295 1.00 0.45 C ATOM 1428 O VAL A 96 30.913 27.841 -19.703 1.00 0.43 O ATOM 1429 CB VAL A 96 33.278 30.023 -20.004 1.00 0.55 C ATOM 1430 CG1 VAL A 96 33.387 29.022 -21.138 1.00 1.21 C ATOM 1431 CG2 VAL A 96 32.702 31.332 -20.499 1.00 1.37 C ATOM 0 H VAL A 96 33.199 27.523 -18.750 1.00 0.47 H new ATOM 0 HA VAL A 96 32.324 30.279 -18.111 1.00 0.48 H new ATOM 0 HB VAL A 96 34.286 30.208 -19.632 1.00 0.55 H new ATOM 0 HG11 VAL A 96 33.979 29.451 -21.946 1.00 1.21 H new ATOM 0 HG12 VAL A 96 33.870 28.114 -20.777 1.00 1.21 H new ATOM 0 HG13 VAL A 96 32.390 28.780 -21.507 1.00 1.21 H new ATOM 0 HG21 VAL A 96 33.304 31.704 -21.328 1.00 1.37 H new ATOM 0 HG22 VAL A 96 31.678 31.174 -20.837 1.00 1.37 H new ATOM 0 HG23 VAL A 96 32.708 32.062 -19.689 1.00 1.37 H new ATOM 1441 N VAL A 97 30.080 29.866 -19.189 1.00 0.50 N ATOM 1442 CA VAL A 97 28.718 29.512 -19.557 1.00 0.53 C ATOM 1443 C VAL A 97 28.644 29.106 -21.027 1.00 0.60 C ATOM 1444 O VAL A 97 29.030 29.875 -21.914 1.00 0.67 O ATOM 1445 CB VAL A 97 27.740 30.678 -19.302 1.00 0.60 C ATOM 1446 CG1 VAL A 97 26.313 30.273 -19.660 1.00 0.69 C ATOM 1447 CG2 VAL A 97 27.827 31.143 -17.854 1.00 0.57 C ATOM 0 H VAL A 97 30.192 30.822 -18.851 1.00 0.50 H new ATOM 0 HA VAL A 97 28.426 28.669 -18.931 1.00 0.53 H new ATOM 0 HB VAL A 97 28.025 31.512 -19.944 1.00 0.60 H new ATOM 0 HG11 VAL A 97 25.640 31.109 -19.473 1.00 0.69 H new ATOM 0 HG12 VAL A 97 26.266 29.998 -20.714 1.00 0.69 H new ATOM 0 HG13 VAL A 97 26.012 29.422 -19.049 1.00 0.69 H new ATOM 0 HG21 VAL A 97 27.130 31.966 -17.694 1.00 0.57 H new ATOM 0 HG22 VAL A 97 27.572 30.317 -17.191 1.00 0.57 H new ATOM 0 HG23 VAL A 97 28.841 31.480 -17.640 1.00 0.57 H new ATOM 1457 N ALA A 98 28.165 27.892 -21.274 1.00 0.61 N ATOM 1458 CA ALA A 98 28.016 27.402 -22.633 1.00 0.70 C ATOM 1459 C ALA A 98 26.847 28.099 -23.308 1.00 0.83 C ATOM 1460 O ALA A 98 27.008 28.687 -24.375 1.00 0.89 O ATOM 1461 CB ALA A 98 27.837 25.892 -22.648 1.00 0.76 C ATOM 0 H ALA A 98 27.875 27.233 -20.551 1.00 0.61 H new ATOM 0 HA ALA A 98 28.924 27.630 -23.191 1.00 0.70 H new ATOM 0 HB1 ALA A 98 27.727 25.549 -23.677 1.00 0.76 H new ATOM 0 HB2 ALA A 98 28.709 25.418 -22.198 1.00 0.76 H new ATOM 0 HB3 ALA A 98 26.946 25.626 -22.080 1.00 0.76 H new ATOM 1467 N ARG A 99 25.676 28.039 -22.667 1.00 0.97 N ATOM 1468 CA ARG A 99 24.499 28.769 -23.137 1.00 1.17 C ATOM 1469 C ARG A 99 23.272 28.492 -22.264 1.00 1.38 C ATOM 1470 O ARG A 99 22.973 27.336 -21.963 1.00 1.41 O ATOM 1471 CB ARG A 99 24.171 28.400 -24.588 1.00 1.25 C ATOM 1472 CG ARG A 99 23.095 29.279 -25.199 1.00 1.85 C ATOM 1473 CD ARG A 99 22.862 28.937 -26.654 1.00 2.04 C ATOM 1474 NE ARG A 99 21.912 29.851 -27.279 1.00 2.61 N ATOM 1475 CZ ARG A 99 21.654 29.871 -28.582 1.00 2.99 C ATOM 1476 NH1 ARG A 99 22.279 29.033 -29.399 1.00 2.82 N ATOM 1477 NH2 ARG A 99 20.777 30.739 -29.069 1.00 3.92 N ATOM 0 H ARG A 99 25.520 27.491 -21.821 1.00 0.97 H new ATOM 0 HA ARG A 99 24.742 29.830 -23.073 1.00 1.17 H new ATOM 0 HB2 ARG A 99 25.077 28.475 -25.189 1.00 1.25 H new ATOM 0 HB3 ARG A 99 23.847 27.360 -24.628 1.00 1.25 H new ATOM 0 HG2 ARG A 99 22.166 29.159 -24.642 1.00 1.85 H new ATOM 0 HG3 ARG A 99 23.386 30.326 -25.112 1.00 1.85 H new ATOM 0 HD2 ARG A 99 23.809 28.973 -27.192 1.00 2.04 H new ATOM 0 HD3 ARG A 99 22.489 27.916 -26.732 1.00 2.04 H new ATOM 0 HE ARG A 99 21.417 30.513 -26.681 1.00 2.61 H new ATOM 0 HH11 ARG A 99 22.960 28.371 -29.027 1.00 2.82 H new ATOM 0 HH12 ARG A 99 22.079 29.051 -30.399 1.00 2.82 H new ATOM 0 HH21 ARG A 99 20.302 31.390 -28.443 1.00 3.92 H new ATOM 0 HH22 ARG A 99 20.578 30.756 -30.069 1.00 3.92 H new ATOM 1688 N ALA A 112 17.603 23.490 -19.407 1.00 1.24 N ATOM 1689 CA ALA A 112 17.949 24.413 -18.338 1.00 1.02 C ATOM 1690 C ALA A 112 19.164 25.273 -18.674 1.00 0.97 C ATOM 1691 O ALA A 112 19.223 26.450 -18.311 1.00 1.15 O ATOM 1692 CB ALA A 112 18.158 23.661 -17.034 1.00 1.06 C ATOM 0 HA ALA A 112 17.108 25.097 -18.220 1.00 1.02 H new ATOM 0 HB1 ALA A 112 18.416 24.367 -16.244 1.00 1.06 H new ATOM 0 HB2 ALA A 112 17.241 23.136 -16.766 1.00 1.06 H new ATOM 0 HB3 ALA A 112 18.967 22.940 -17.155 1.00 1.06 H new ATOM 1698 N GLY A 113 20.116 24.699 -19.380 1.00 0.94 N ATOM 1699 CA GLY A 113 21.331 25.415 -19.691 1.00 0.89 C ATOM 1700 C GLY A 113 22.552 24.668 -19.225 1.00 0.79 C ATOM 1701 O GLY A 113 22.510 23.962 -18.219 1.00 0.83 O ATOM 0 H GLY A 113 20.071 23.748 -19.745 1.00 0.94 H new ATOM 0 HA2 GLY A 113 21.392 25.577 -20.767 1.00 0.89 H new ATOM 0 HA3 GLY A 113 21.304 26.398 -19.221 1.00 0.89 H new ATOM 1705 N LEU A 114 23.649 24.831 -19.937 1.00 0.73 N ATOM 1706 CA LEU A 114 24.838 24.045 -19.665 1.00 0.66 C ATOM 1707 C LEU A 114 26.080 24.916 -19.574 1.00 0.58 C ATOM 1708 O LEU A 114 26.135 26.017 -20.129 1.00 0.63 O ATOM 1709 CB LEU A 114 25.008 22.981 -20.750 1.00 0.74 C ATOM 1710 CG LEU A 114 23.923 21.903 -20.765 1.00 0.83 C ATOM 1711 CD1 LEU A 114 23.934 21.146 -22.072 1.00 0.93 C ATOM 1712 CD2 LEU A 114 24.132 20.933 -19.623 1.00 0.80 C ATOM 0 H LEU A 114 23.743 25.496 -20.704 1.00 0.73 H new ATOM 0 HA LEU A 114 24.712 23.560 -18.697 1.00 0.66 H new ATOM 0 HB2 LEU A 114 25.025 23.473 -21.722 1.00 0.74 H new ATOM 0 HB3 LEU A 114 25.977 22.500 -20.619 1.00 0.74 H new ATOM 0 HG LEU A 114 22.958 22.397 -20.651 1.00 0.83 H new ATOM 0 HD11 LEU A 114 23.154 20.385 -22.058 1.00 0.93 H new ATOM 0 HD12 LEU A 114 23.752 21.838 -22.895 1.00 0.93 H new ATOM 0 HD13 LEU A 114 24.904 20.668 -22.208 1.00 0.93 H new ATOM 0 HD21 LEU A 114 23.353 20.171 -19.646 1.00 0.80 H new ATOM 0 HD22 LEU A 114 25.108 20.457 -19.724 1.00 0.80 H new ATOM 0 HD23 LEU A 114 24.086 21.471 -18.676 1.00 0.80 H new ATOM 1724 N ILE A 115 27.059 24.417 -18.840 1.00 0.49 N ATOM 1725 CA ILE A 115 28.359 25.055 -18.718 1.00 0.42 C ATOM 1726 C ILE A 115 29.419 24.126 -19.298 1.00 0.43 C ATOM 1727 O ILE A 115 29.380 22.913 -19.067 1.00 0.47 O ATOM 1728 CB ILE A 115 28.694 25.361 -17.235 1.00 0.34 C ATOM 1729 CG1 ILE A 115 27.563 26.181 -16.608 1.00 0.36 C ATOM 1730 CG2 ILE A 115 30.025 26.102 -17.116 1.00 0.31 C ATOM 1731 CD1 ILE A 115 27.664 26.329 -15.106 1.00 0.28 C ATOM 0 H ILE A 115 26.974 23.551 -18.308 1.00 0.49 H new ATOM 0 HA ILE A 115 28.340 25.999 -19.263 1.00 0.42 H new ATOM 0 HB ILE A 115 28.790 24.418 -16.698 1.00 0.34 H new ATOM 0 HG12 ILE A 115 27.555 27.173 -17.060 1.00 0.36 H new ATOM 0 HG13 ILE A 115 26.610 25.711 -16.852 1.00 0.36 H new ATOM 0 HG21 ILE A 115 30.236 26.304 -16.066 1.00 0.31 H new ATOM 0 HG22 ILE A 115 30.822 25.488 -17.535 1.00 0.31 H new ATOM 0 HG23 ILE A 115 29.967 27.043 -17.662 1.00 0.31 H new ATOM 0 HD11 ILE A 115 26.826 26.923 -14.742 1.00 0.28 H new ATOM 0 HD12 ILE A 115 27.640 25.344 -14.641 1.00 0.28 H new ATOM 0 HD13 ILE A 115 28.599 26.828 -14.852 1.00 0.28 H new ATOM 1743 N GLU A 116 30.344 24.675 -20.067 1.00 0.43 N ATOM 1744 CA GLU A 116 31.412 23.869 -20.631 1.00 0.47 C ATOM 1745 C GLU A 116 32.558 23.763 -19.632 1.00 0.45 C ATOM 1746 O GLU A 116 33.246 24.742 -19.332 1.00 0.49 O ATOM 1747 CB GLU A 116 31.874 24.427 -21.982 1.00 0.54 C ATOM 1748 CG GLU A 116 32.186 25.910 -21.980 1.00 0.84 C ATOM 1749 CD GLU A 116 32.582 26.414 -23.353 1.00 1.03 C ATOM 1750 OE1 GLU A 116 33.720 26.141 -23.796 1.00 1.14 O ATOM 1751 OE2 GLU A 116 31.764 27.104 -23.992 1.00 1.40 O ATOM 0 H GLU A 116 30.377 25.664 -20.313 1.00 0.43 H new ATOM 0 HA GLU A 116 31.036 22.864 -20.823 1.00 0.47 H new ATOM 0 HB2 GLU A 116 32.763 23.883 -22.300 1.00 0.54 H new ATOM 0 HB3 GLU A 116 31.099 24.233 -22.724 1.00 0.54 H new ATOM 0 HG2 GLU A 116 31.314 26.462 -21.630 1.00 0.84 H new ATOM 0 HG3 GLU A 116 32.993 26.109 -21.275 1.00 0.84 H new ATOM 1758 N ILE A 117 32.727 22.561 -19.106 1.00 0.47 N ATOM 1759 CA ILE A 117 33.661 22.311 -18.022 1.00 0.50 C ATOM 1760 C ILE A 117 35.048 22.062 -18.580 1.00 0.56 C ATOM 1761 O ILE A 117 35.215 21.253 -19.491 1.00 0.63 O ATOM 1762 CB ILE A 117 33.216 21.081 -17.203 1.00 0.53 C ATOM 1763 CG1 ILE A 117 31.701 21.111 -17.008 1.00 0.48 C ATOM 1764 CG2 ILE A 117 33.928 21.033 -15.855 1.00 0.60 C ATOM 1765 CD1 ILE A 117 31.204 22.348 -16.290 1.00 0.41 C ATOM 0 H ILE A 117 32.221 21.732 -19.418 1.00 0.47 H new ATOM 0 HA ILE A 117 33.679 23.187 -17.374 1.00 0.50 H new ATOM 0 HB ILE A 117 33.487 20.181 -17.754 1.00 0.53 H new ATOM 0 HG12 ILE A 117 31.217 21.048 -17.983 1.00 0.48 H new ATOM 0 HG13 ILE A 117 31.399 20.228 -16.444 1.00 0.48 H new ATOM 0 HG21 ILE A 117 33.596 20.156 -15.299 1.00 0.60 H new ATOM 0 HG22 ILE A 117 35.005 20.975 -16.014 1.00 0.60 H new ATOM 0 HG23 ILE A 117 33.693 21.933 -15.287 1.00 0.60 H new ATOM 0 HD11 ILE A 117 30.120 22.299 -16.188 1.00 0.41 H new ATOM 0 HD12 ILE A 117 31.659 22.402 -15.301 1.00 0.41 H new ATOM 0 HD13 ILE A 117 31.475 23.235 -16.863 1.00 0.41 H new ATOM 1777 N LEU A 118 36.033 22.750 -18.037 1.00 0.61 N ATOM 1778 CA LEU A 118 37.388 22.637 -18.539 1.00 0.70 C ATOM 1779 C LEU A 118 38.100 21.462 -17.881 1.00 0.79 C ATOM 1780 O LEU A 118 37.828 21.125 -16.728 1.00 0.88 O ATOM 1781 CB LEU A 118 38.163 23.949 -18.313 1.00 0.84 C ATOM 1782 CG LEU A 118 38.742 24.198 -16.906 1.00 0.96 C ATOM 1783 CD1 LEU A 118 39.368 25.582 -16.844 1.00 1.15 C ATOM 1784 CD2 LEU A 118 37.683 24.063 -15.820 1.00 1.21 C ATOM 0 H LEU A 118 35.921 23.391 -17.251 1.00 0.61 H new ATOM 0 HA LEU A 118 37.347 22.453 -19.613 1.00 0.70 H new ATOM 0 HB2 LEU A 118 38.986 23.981 -19.026 1.00 0.84 H new ATOM 0 HB3 LEU A 118 37.499 24.779 -18.555 1.00 0.84 H new ATOM 0 HG LEU A 118 39.501 23.438 -16.723 1.00 0.96 H new ATOM 0 HD11 LEU A 118 39.776 25.753 -15.848 1.00 1.15 H new ATOM 0 HD12 LEU A 118 40.168 25.653 -17.580 1.00 1.15 H new ATOM 0 HD13 LEU A 118 38.609 26.334 -17.059 1.00 1.15 H new ATOM 0 HD21 LEU A 118 38.136 24.247 -14.846 1.00 1.21 H new ATOM 0 HD22 LEU A 118 36.889 24.789 -15.994 1.00 1.21 H new ATOM 0 HD23 LEU A 118 37.265 23.056 -15.842 1.00 1.21 H new ATOM 1796 N ASP A 119 38.974 20.820 -18.638 1.00 0.83 N ATOM 1797 CA ASP A 119 39.788 19.728 -18.112 1.00 0.95 C ATOM 1798 C ASP A 119 40.731 20.242 -17.021 1.00 1.01 C ATOM 1799 O ASP A 119 40.929 21.451 -16.883 1.00 0.98 O ATOM 1800 CB ASP A 119 40.570 19.074 -19.258 1.00 1.05 C ATOM 1801 CG ASP A 119 41.552 18.017 -18.793 1.00 1.65 C ATOM 1802 OD1 ASP A 119 42.770 18.264 -18.894 1.00 2.29 O ATOM 1803 OD2 ASP A 119 41.112 16.951 -18.314 1.00 2.22 O ATOM 0 H ASP A 119 39.141 21.034 -19.621 1.00 0.83 H new ATOM 0 HA ASP A 119 39.139 18.977 -17.661 1.00 0.95 H new ATOM 0 HB2 ASP A 119 39.866 18.622 -19.957 1.00 1.05 H new ATOM 0 HB3 ASP A 119 41.111 19.846 -19.805 1.00 1.05 H new ATOM 1808 N GLU A 120 41.305 19.328 -16.247 1.00 1.17 N ATOM 1809 CA GLU A 120 42.188 19.697 -15.147 1.00 1.32 C ATOM 1810 C GLU A 120 43.404 20.482 -15.635 1.00 1.33 C ATOM 1811 O GLU A 120 43.984 21.262 -14.877 1.00 1.44 O ATOM 1812 CB GLU A 120 42.630 18.452 -14.377 1.00 1.55 C ATOM 1813 CG GLU A 120 43.322 17.404 -15.232 1.00 1.63 C ATOM 1814 CD GLU A 120 43.624 16.138 -14.463 1.00 1.96 C ATOM 1815 OE1 GLU A 120 42.740 15.257 -14.379 1.00 1.89 O ATOM 1816 OE2 GLU A 120 44.754 16.010 -13.948 1.00 2.78 O ATOM 0 H GLU A 120 41.174 18.323 -16.362 1.00 1.17 H new ATOM 0 HA GLU A 120 41.625 20.347 -14.477 1.00 1.32 H new ATOM 0 HB2 GLU A 120 43.305 18.754 -13.576 1.00 1.55 H new ATOM 0 HB3 GLU A 120 41.757 18.001 -13.905 1.00 1.55 H new ATOM 0 HG2 GLU A 120 42.691 17.164 -16.088 1.00 1.63 H new ATOM 0 HG3 GLU A 120 44.251 17.816 -15.626 1.00 1.63 H new ATOM 1823 N LEU A 121 43.790 20.287 -16.893 1.00 1.28 N ATOM 1824 CA LEU A 121 44.902 21.043 -17.462 1.00 1.34 C ATOM 1825 C LEU A 121 44.387 22.246 -18.249 1.00 1.21 C ATOM 1826 O LEU A 121 45.143 22.891 -18.977 1.00 1.27 O ATOM 1827 CB LEU A 121 45.775 20.165 -18.372 1.00 1.45 C ATOM 1828 CG LEU A 121 46.473 18.966 -17.707 1.00 1.65 C ATOM 1829 CD1 LEU A 121 46.778 19.242 -16.242 1.00 1.77 C ATOM 1830 CD2 LEU A 121 45.642 17.703 -17.855 1.00 1.65 C ATOM 0 H LEU A 121 43.356 19.620 -17.531 1.00 1.28 H new ATOM 0 HA LEU A 121 45.516 21.392 -16.632 1.00 1.34 H new ATOM 0 HB2 LEU A 121 45.152 19.789 -19.183 1.00 1.45 H new ATOM 0 HB3 LEU A 121 46.540 20.797 -18.824 1.00 1.45 H new ATOM 0 HG LEU A 121 47.422 18.813 -18.221 1.00 1.65 H new ATOM 0 HD11 LEU A 121 47.271 18.374 -15.803 1.00 1.77 H new ATOM 0 HD12 LEU A 121 47.433 20.110 -16.164 1.00 1.77 H new ATOM 0 HD13 LEU A 121 45.849 19.440 -15.708 1.00 1.77 H new ATOM 0 HD21 LEU A 121 46.157 16.870 -17.377 1.00 1.65 H new ATOM 0 HD22 LEU A 121 44.671 17.849 -17.382 1.00 1.65 H new ATOM 0 HD23 LEU A 121 45.501 17.482 -18.913 1.00 1.65 H new ATOM 1842 N ARG A 122 43.106 22.559 -18.044 1.00 1.11 N ATOM 1843 CA ARG A 122 42.382 23.610 -18.771 1.00 1.08 C ATOM 1844 C ARG A 122 42.747 23.646 -20.256 1.00 1.13 C ATOM 1845 O ARG A 122 43.519 24.489 -20.717 1.00 1.46 O ATOM 1846 CB ARG A 122 42.504 25.007 -18.109 1.00 1.24 C ATOM 1847 CG ARG A 122 43.910 25.585 -17.951 1.00 1.80 C ATOM 1848 CD ARG A 122 44.602 25.093 -16.684 1.00 2.04 C ATOM 1849 NE ARG A 122 45.827 25.846 -16.407 1.00 2.50 N ATOM 1850 CZ ARG A 122 46.966 25.719 -17.096 1.00 3.32 C ATOM 1851 NH1 ARG A 122 47.062 24.838 -18.087 1.00 3.73 N ATOM 1852 NH2 ARG A 122 48.014 26.474 -16.790 1.00 4.14 N ATOM 0 H ARG A 122 42.528 22.080 -17.353 1.00 1.11 H new ATOM 0 HA ARG A 122 41.328 23.338 -18.707 1.00 1.08 H new ATOM 0 HB2 ARG A 122 41.913 25.711 -18.695 1.00 1.24 H new ATOM 0 HB3 ARG A 122 42.048 24.953 -17.121 1.00 1.24 H new ATOM 0 HG2 ARG A 122 44.511 25.314 -18.819 1.00 1.80 H new ATOM 0 HG3 ARG A 122 43.852 26.673 -17.931 1.00 1.80 H new ATOM 0 HD2 ARG A 122 43.920 25.184 -15.838 1.00 2.04 H new ATOM 0 HD3 ARG A 122 44.841 24.035 -16.788 1.00 2.04 H new ATOM 0 HE ARG A 122 45.810 26.513 -15.636 1.00 2.50 H new ATOM 0 HH11 ARG A 122 46.263 24.252 -18.327 1.00 3.73 H new ATOM 0 HH12 ARG A 122 47.935 24.748 -18.607 1.00 3.73 H new ATOM 0 HH21 ARG A 122 47.950 27.151 -16.030 1.00 4.14 H new ATOM 0 HH22 ARG A 122 48.883 26.377 -17.315 1.00 4.14 H new ATOM 1866 N THR A 123 42.194 22.695 -20.995 1.00 1.08 N ATOM 1867 CA THR A 123 42.454 22.583 -22.418 1.00 1.20 C ATOM 1868 C THR A 123 41.153 22.591 -23.221 1.00 1.15 C ATOM 1869 O THR A 123 40.862 23.542 -23.949 1.00 1.38 O ATOM 1870 CB THR A 123 43.243 21.294 -22.722 1.00 1.40 C ATOM 1871 OG1 THR A 123 42.612 20.176 -22.078 1.00 1.86 O ATOM 1872 CG2 THR A 123 44.687 21.409 -22.249 1.00 1.87 C ATOM 0 H THR A 123 41.559 21.987 -20.627 1.00 1.08 H new ATOM 0 HA THR A 123 43.048 23.447 -22.714 1.00 1.20 H new ATOM 0 HB THR A 123 43.247 21.144 -23.802 1.00 1.40 H new ATOM 0 HG1 THR A 123 43.115 19.358 -22.275 1.00 1.86 H new ATOM 0 HG21 THR A 123 45.219 20.485 -22.477 1.00 1.87 H new ATOM 0 HG22 THR A 123 45.172 22.242 -22.759 1.00 1.87 H new ATOM 0 HG23 THR A 123 44.705 21.582 -21.173 1.00 1.87 H new ATOM 1880 N THR A 124 40.373 21.530 -23.084 1.00 1.01 N ATOM 1881 CA THR A 124 39.114 21.405 -23.803 1.00 1.03 C ATOM 1882 C THR A 124 37.956 21.173 -22.822 1.00 0.89 C ATOM 1883 O THR A 124 38.183 20.890 -21.643 1.00 0.85 O ATOM 1884 CB THR A 124 39.187 20.232 -24.804 1.00 1.26 C ATOM 1885 OG1 THR A 124 40.487 20.185 -25.403 1.00 1.54 O ATOM 1886 CG2 THR A 124 38.140 20.368 -25.899 1.00 1.53 C ATOM 0 H THR A 124 40.591 20.739 -22.478 1.00 1.01 H new ATOM 0 HA THR A 124 38.936 22.332 -24.348 1.00 1.03 H new ATOM 0 HB THR A 124 38.993 19.312 -24.252 1.00 1.26 H new ATOM 0 HG1 THR A 124 40.529 19.438 -26.036 1.00 1.54 H new ATOM 0 HG21 THR A 124 38.220 19.525 -26.586 1.00 1.53 H new ATOM 0 HG22 THR A 124 37.146 20.379 -25.452 1.00 1.53 H new ATOM 0 HG23 THR A 124 38.303 21.297 -26.445 1.00 1.53 H new ATOM 1894 N VAL A 125 36.726 21.314 -23.310 1.00 0.90 N ATOM 1895 CA VAL A 125 35.544 21.012 -22.516 1.00 0.82 C ATOM 1896 C VAL A 125 35.385 19.498 -22.362 1.00 0.86 C ATOM 1897 O VAL A 125 35.507 18.754 -23.336 1.00 0.96 O ATOM 1898 CB VAL A 125 34.263 21.615 -23.148 1.00 0.82 C ATOM 1899 CG1 VAL A 125 34.119 21.213 -24.607 1.00 1.17 C ATOM 1900 CG2 VAL A 125 33.028 21.197 -22.369 1.00 1.29 C ATOM 0 H VAL A 125 36.524 21.637 -24.256 1.00 0.90 H new ATOM 0 HA VAL A 125 35.680 21.465 -21.534 1.00 0.82 H new ATOM 0 HB VAL A 125 34.358 22.700 -23.102 1.00 0.82 H new ATOM 0 HG11 VAL A 125 33.210 21.653 -25.018 1.00 1.17 H new ATOM 0 HG12 VAL A 125 34.982 21.570 -25.170 1.00 1.17 H new ATOM 0 HG13 VAL A 125 34.061 20.127 -24.681 1.00 1.17 H new ATOM 0 HG21 VAL A 125 32.142 21.632 -22.831 1.00 1.29 H new ATOM 0 HG22 VAL A 125 32.944 20.110 -22.376 1.00 1.29 H new ATOM 0 HG23 VAL A 125 33.110 21.548 -21.340 1.00 1.29 H new ATOM 1910 N ILE A 126 35.128 19.048 -21.138 1.00 0.82 N ATOM 1911 CA ILE A 126 35.018 17.620 -20.862 1.00 0.90 C ATOM 1912 C ILE A 126 33.744 17.039 -21.475 1.00 0.93 C ATOM 1913 O ILE A 126 33.805 16.258 -22.426 1.00 1.03 O ATOM 1914 CB ILE A 126 34.990 17.359 -19.341 1.00 0.89 C ATOM 1915 CG1 ILE A 126 36.155 18.074 -18.650 1.00 0.87 C ATOM 1916 CG2 ILE A 126 35.038 15.863 -19.056 1.00 1.00 C ATOM 1917 CD1 ILE A 126 36.014 18.130 -17.145 1.00 0.87 C ATOM 0 H ILE A 126 34.993 19.648 -20.325 1.00 0.82 H new ATOM 0 HA ILE A 126 35.889 17.138 -21.305 1.00 0.90 H new ATOM 0 HB ILE A 126 34.057 17.757 -18.941 1.00 0.89 H new ATOM 0 HG12 ILE A 126 37.085 17.565 -18.902 1.00 0.87 H new ATOM 0 HG13 ILE A 126 36.231 19.089 -19.039 1.00 0.87 H new ATOM 0 HG21 ILE A 126 35.018 15.697 -17.979 1.00 1.00 H new ATOM 0 HG22 ILE A 126 34.177 15.377 -19.514 1.00 1.00 H new ATOM 0 HG23 ILE A 126 35.954 15.443 -19.470 1.00 1.00 H new ATOM 0 HD11 ILE A 126 36.872 18.649 -16.718 1.00 0.87 H new ATOM 0 HD12 ILE A 126 35.100 18.664 -16.885 1.00 0.87 H new ATOM 0 HD13 ILE A 126 35.968 17.117 -16.746 1.00 0.87 H new ATOM 1929 N SER A 127 32.591 17.406 -20.931 1.00 0.87 N ATOM 1930 CA SER A 127 31.326 17.051 -21.553 1.00 0.92 C ATOM 1931 C SER A 127 30.349 18.225 -21.511 1.00 0.84 C ATOM 1932 O SER A 127 30.281 19.030 -22.439 1.00 0.85 O ATOM 1933 CB SER A 127 30.736 15.815 -20.870 1.00 0.99 C ATOM 1934 OG SER A 127 31.661 14.740 -20.888 1.00 1.56 O ATOM 0 H SER A 127 32.507 17.944 -20.069 1.00 0.87 H new ATOM 0 HA SER A 127 31.506 16.813 -22.601 1.00 0.92 H new ATOM 0 HB2 SER A 127 30.470 16.055 -19.840 1.00 0.99 H new ATOM 0 HB3 SER A 127 29.817 15.518 -21.376 1.00 0.99 H new ATOM 0 HG SER A 127 31.265 13.960 -20.445 1.00 1.56 H new ATOM 1940 N GLN A 128 29.630 18.329 -20.393 1.00 0.79 N ATOM 1941 CA GLN A 128 28.684 19.409 -20.152 1.00 0.74 C ATOM 1942 C GLN A 128 28.124 19.269 -18.736 1.00 0.69 C ATOM 1943 O GLN A 128 27.829 18.158 -18.296 1.00 0.73 O ATOM 1944 CB GLN A 128 27.536 19.393 -21.183 1.00 0.86 C ATOM 1945 CG GLN A 128 26.457 18.335 -20.936 1.00 1.02 C ATOM 1946 CD GLN A 128 26.928 16.910 -21.169 1.00 1.43 C ATOM 1947 OE1 GLN A 128 27.783 16.648 -22.014 1.00 2.08 O ATOM 1948 NE2 GLN A 128 26.369 15.977 -20.415 1.00 1.88 N ATOM 0 H GLN A 128 29.691 17.659 -19.626 1.00 0.79 H new ATOM 0 HA GLN A 128 29.204 20.361 -20.256 1.00 0.74 H new ATOM 0 HB2 GLN A 128 27.064 20.375 -21.194 1.00 0.86 H new ATOM 0 HB3 GLN A 128 27.960 19.232 -22.174 1.00 0.86 H new ATOM 0 HG2 GLN A 128 26.101 18.426 -19.910 1.00 1.02 H new ATOM 0 HG3 GLN A 128 25.607 18.538 -21.588 1.00 1.02 H new ATOM 0 HE21 GLN A 128 25.663 16.234 -19.725 1.00 1.88 H new ATOM 0 HE22 GLN A 128 26.644 15.001 -20.524 1.00 1.88 H new ATOM 1957 N HIS A 129 28.009 20.370 -18.009 1.00 0.63 N ATOM 1958 CA HIS A 129 27.337 20.340 -16.712 1.00 0.60 C ATOM 1959 C HIS A 129 26.173 21.301 -16.723 1.00 0.58 C ATOM 1960 O HIS A 129 26.300 22.435 -17.179 1.00 0.54 O ATOM 1961 CB HIS A 129 28.268 20.688 -15.544 1.00 0.54 C ATOM 1962 CG HIS A 129 29.289 19.641 -15.217 1.00 0.58 C ATOM 1963 ND1 HIS A 129 29.642 18.514 -15.884 1.00 0.58 N flip ATOM 1964 CD2 HIS A 129 30.101 19.696 -14.107 1.00 0.65 C flip ATOM 1965 CE1 HIS A 129 30.666 17.875 -15.189 1.00 0.65 C flip ATOM 1966 NE2 HIS A 129 30.905 18.627 -14.133 1.00 0.68 N flip ATOM 0 H HIS A 129 28.365 21.285 -18.287 1.00 0.63 H new ATOM 0 HA HIS A 129 26.995 19.317 -16.558 1.00 0.60 H new ATOM 0 HB2 HIS A 129 28.785 21.619 -15.776 1.00 0.54 H new ATOM 0 HB3 HIS A 129 27.661 20.872 -14.657 1.00 0.54 H new ATOM 0 HD1 HIS A 129 29.224 18.187 -16.755 1.00 0.58 H new ATOM 0 HD2 HIS A 129 30.091 20.466 -13.349 1.00 0.65 H new ATOM 0 HE1 HIS A 129 31.162 16.954 -15.459 1.00 0.65 H new ATOM 1974 N GLU A 130 25.048 20.835 -16.231 1.00 0.64 N ATOM 1975 CA GLU A 130 23.830 21.622 -16.208 1.00 0.64 C ATOM 1976 C GLU A 130 23.744 22.406 -14.904 1.00 0.56 C ATOM 1977 O GLU A 130 24.308 21.986 -13.885 1.00 0.54 O ATOM 1978 CB GLU A 130 22.639 20.678 -16.351 1.00 0.77 C ATOM 1979 CG GLU A 130 21.416 21.297 -16.994 1.00 0.82 C ATOM 1980 CD GLU A 130 20.270 20.313 -17.070 1.00 0.98 C ATOM 1981 OE1 GLU A 130 19.766 20.073 -18.185 1.00 1.18 O ATOM 1982 OE2 GLU A 130 19.902 19.752 -16.014 1.00 1.19 O ATOM 0 H GLU A 130 24.948 19.900 -15.835 1.00 0.64 H new ATOM 0 HA GLU A 130 23.827 22.336 -17.032 1.00 0.64 H new ATOM 0 HB2 GLU A 130 22.946 19.815 -16.941 1.00 0.77 H new ATOM 0 HB3 GLU A 130 22.365 20.308 -15.363 1.00 0.77 H new ATOM 0 HG2 GLU A 130 21.107 22.173 -16.423 1.00 0.82 H new ATOM 0 HG3 GLU A 130 21.667 21.643 -17.997 1.00 0.82 H new ATOM 1989 N PHE A 131 23.054 23.536 -14.930 1.00 0.53 N ATOM 1990 CA PHE A 131 22.925 24.356 -13.738 1.00 0.46 C ATOM 1991 C PHE A 131 21.468 24.472 -13.316 1.00 0.51 C ATOM 1992 O PHE A 131 20.578 24.667 -14.141 1.00 0.74 O ATOM 1993 CB PHE A 131 23.558 25.745 -13.930 1.00 0.42 C ATOM 1994 CG PHE A 131 23.126 26.495 -15.165 1.00 0.48 C ATOM 1995 CD1 PHE A 131 21.896 27.129 -15.229 1.00 0.60 C ATOM 1996 CD2 PHE A 131 23.977 26.587 -16.251 1.00 0.46 C ATOM 1997 CE1 PHE A 131 21.525 27.838 -16.356 1.00 0.70 C ATOM 1998 CE2 PHE A 131 23.612 27.291 -17.382 1.00 0.56 C ATOM 1999 CZ PHE A 131 22.385 27.918 -17.434 1.00 0.68 C ATOM 0 H PHE A 131 22.579 23.902 -15.755 1.00 0.53 H new ATOM 0 HA PHE A 131 23.473 23.859 -12.937 1.00 0.46 H new ATOM 0 HB2 PHE A 131 23.324 26.354 -13.057 1.00 0.42 H new ATOM 0 HB3 PHE A 131 24.642 25.630 -13.958 1.00 0.42 H new ATOM 0 HD1 PHE A 131 21.220 27.069 -14.389 1.00 0.60 H new ATOM 0 HD2 PHE A 131 24.941 26.101 -16.214 1.00 0.46 H new ATOM 0 HE1 PHE A 131 20.564 28.329 -16.394 1.00 0.70 H new ATOM 0 HE2 PHE A 131 24.286 27.350 -18.224 1.00 0.56 H new ATOM 0 HZ PHE A 131 22.097 28.471 -18.316 1.00 0.68 H new ATOM 2009 N GLY A 132 21.239 24.323 -12.024 1.00 0.48 N ATOM 2010 CA GLY A 132 19.898 24.396 -11.490 1.00 0.51 C ATOM 2011 C GLY A 132 19.530 25.809 -11.090 1.00 0.50 C ATOM 2012 O GLY A 132 20.403 26.598 -10.736 1.00 0.47 O ATOM 0 H GLY A 132 21.965 24.151 -11.329 1.00 0.48 H new ATOM 0 HA2 GLY A 132 19.190 24.033 -12.235 1.00 0.51 H new ATOM 0 HA3 GLY A 132 19.815 23.739 -10.624 1.00 0.51 H new ATOM 2016 N ILE A 133 18.243 26.133 -11.150 1.00 0.54 N ATOM 2017 CA ILE A 133 17.755 27.462 -10.781 1.00 0.55 C ATOM 2018 C ILE A 133 18.126 27.792 -9.337 1.00 0.54 C ATOM 2019 O ILE A 133 18.404 28.943 -8.986 1.00 0.56 O ATOM 2020 CB ILE A 133 16.222 27.568 -10.956 1.00 0.60 C ATOM 2021 CG1 ILE A 133 15.762 29.023 -10.835 1.00 0.64 C ATOM 2022 CG2 ILE A 133 15.487 26.698 -9.944 1.00 0.61 C ATOM 2023 CD1 ILE A 133 16.255 29.906 -11.958 1.00 0.67 C ATOM 0 H ILE A 133 17.512 25.490 -11.453 1.00 0.54 H new ATOM 0 HA ILE A 133 18.232 28.180 -11.449 1.00 0.55 H new ATOM 0 HB ILE A 133 15.979 27.205 -11.955 1.00 0.60 H new ATOM 0 HG12 ILE A 133 14.673 29.051 -10.813 1.00 0.64 H new ATOM 0 HG13 ILE A 133 16.110 29.428 -9.885 1.00 0.64 H new ATOM 0 HG21 ILE A 133 14.412 26.795 -10.094 1.00 0.61 H new ATOM 0 HG22 ILE A 133 15.780 25.657 -10.079 1.00 0.61 H new ATOM 0 HG23 ILE A 133 15.743 27.019 -8.934 1.00 0.61 H new ATOM 0 HD11 ILE A 133 15.891 30.923 -11.808 1.00 0.67 H new ATOM 0 HD12 ILE A 133 17.345 29.908 -11.967 1.00 0.67 H new ATOM 0 HD13 ILE A 133 15.885 29.525 -12.910 1.00 0.67 H new ATOM 2035 N THR A 134 18.141 26.769 -8.508 1.00 0.57 N ATOM 2036 CA THR A 134 18.506 26.915 -7.116 1.00 0.61 C ATOM 2037 C THR A 134 20.021 27.058 -6.980 1.00 0.57 C ATOM 2038 O THR A 134 20.522 27.740 -6.083 1.00 0.61 O ATOM 2039 CB THR A 134 17.994 25.713 -6.294 1.00 0.71 C ATOM 2040 OG1 THR A 134 18.566 25.716 -4.985 1.00 1.35 O ATOM 2041 CG2 THR A 134 18.306 24.400 -7.002 1.00 0.86 C ATOM 0 H THR A 134 17.901 25.816 -8.780 1.00 0.57 H new ATOM 0 HA THR A 134 18.038 27.818 -6.724 1.00 0.61 H new ATOM 0 HB THR A 134 16.912 25.806 -6.201 1.00 0.71 H new ATOM 0 HG1 THR A 134 18.228 24.948 -4.479 1.00 1.35 H new ATOM 0 HG21 THR A 134 17.936 23.567 -6.404 1.00 0.86 H new ATOM 0 HG22 THR A 134 17.822 24.389 -7.978 1.00 0.86 H new ATOM 0 HG23 THR A 134 19.384 24.303 -7.131 1.00 0.86 H new ATOM 2049 N SER A 135 20.744 26.439 -7.905 1.00 0.54 N ATOM 2050 CA SER A 135 22.193 26.534 -7.940 1.00 0.57 C ATOM 2051 C SER A 135 22.617 27.887 -8.496 1.00 0.46 C ATOM 2052 O SER A 135 23.717 28.365 -8.222 1.00 0.44 O ATOM 2053 CB SER A 135 22.759 25.407 -8.797 1.00 0.72 C ATOM 2054 OG SER A 135 22.306 24.147 -8.324 1.00 1.10 O ATOM 0 H SER A 135 20.344 25.862 -8.645 1.00 0.54 H new ATOM 0 HA SER A 135 22.583 26.440 -6.927 1.00 0.57 H new ATOM 0 HB2 SER A 135 22.455 25.543 -9.835 1.00 0.72 H new ATOM 0 HB3 SER A 135 23.848 25.439 -8.777 1.00 0.72 H new ATOM 0 HG SER A 135 22.677 23.434 -8.885 1.00 1.10 H new ATOM 2060 N LEU A 136 21.724 28.489 -9.279 1.00 0.45 N ATOM 2061 CA LEU A 136 21.922 29.825 -9.834 1.00 0.43 C ATOM 2062 C LEU A 136 21.817 30.897 -8.757 1.00 0.47 C ATOM 2063 O LEU A 136 20.939 31.758 -8.816 1.00 0.53 O ATOM 2064 CB LEU A 136 20.915 30.115 -10.951 1.00 0.48 C ATOM 2065 CG LEU A 136 21.156 29.367 -12.266 1.00 0.81 C ATOM 2066 CD1 LEU A 136 20.024 29.628 -13.247 1.00 1.46 C ATOM 2067 CD2 LEU A 136 22.486 29.787 -12.880 1.00 1.24 C ATOM 0 H LEU A 136 20.838 28.061 -9.547 1.00 0.45 H new ATOM 0 HA LEU A 136 22.928 29.850 -10.252 1.00 0.43 H new ATOM 0 HB2 LEU A 136 19.917 29.867 -10.590 1.00 0.48 H new ATOM 0 HB3 LEU A 136 20.924 31.186 -11.155 1.00 0.48 H new ATOM 0 HG LEU A 136 21.189 28.299 -12.049 1.00 0.81 H new ATOM 0 HD11 LEU A 136 20.214 29.088 -14.174 1.00 1.46 H new ATOM 0 HD12 LEU A 136 19.083 29.288 -12.815 1.00 1.46 H new ATOM 0 HD13 LEU A 136 19.962 30.696 -13.455 1.00 1.46 H new ATOM 0 HD21 LEU A 136 22.643 29.247 -13.814 1.00 1.24 H new ATOM 0 HD22 LEU A 136 22.473 30.859 -13.079 1.00 1.24 H new ATOM 0 HD23 LEU A 136 23.295 29.556 -12.187 1.00 1.24 H new ATOM 2079 N VAL A 137 22.662 30.793 -7.740 1.00 0.49 N ATOM 2080 CA VAL A 137 22.728 31.794 -6.680 1.00 0.60 C ATOM 2081 C VAL A 137 22.772 33.200 -7.277 1.00 0.65 C ATOM 2082 O VAL A 137 22.013 34.083 -6.891 1.00 0.77 O ATOM 2083 CB VAL A 137 23.980 31.583 -5.799 1.00 0.63 C ATOM 2084 CG1 VAL A 137 24.064 32.631 -4.701 1.00 0.82 C ATOM 2085 CG2 VAL A 137 23.992 30.181 -5.208 1.00 0.59 C ATOM 0 H VAL A 137 23.317 30.019 -7.625 1.00 0.49 H new ATOM 0 HA VAL A 137 21.835 31.684 -6.065 1.00 0.60 H new ATOM 0 HB VAL A 137 24.858 31.695 -6.435 1.00 0.63 H new ATOM 0 HG11 VAL A 137 24.955 32.456 -4.098 1.00 0.82 H new ATOM 0 HG12 VAL A 137 24.118 33.623 -5.149 1.00 0.82 H new ATOM 0 HG13 VAL A 137 23.179 32.566 -4.068 1.00 0.82 H new ATOM 0 HG21 VAL A 137 24.882 30.054 -4.591 1.00 0.59 H new ATOM 0 HG22 VAL A 137 23.102 30.037 -4.595 1.00 0.59 H new ATOM 0 HG23 VAL A 137 24.001 29.447 -6.013 1.00 0.59 H new ATOM 2095 N ASN A 138 23.632 33.373 -8.268 1.00 0.59 N ATOM 2096 CA ASN A 138 23.840 34.670 -8.894 1.00 0.66 C ATOM 2097 C ASN A 138 22.936 34.859 -10.112 1.00 0.58 C ATOM 2098 O ASN A 138 23.317 35.516 -11.072 1.00 0.60 O ATOM 2099 CB ASN A 138 25.311 34.822 -9.295 1.00 0.76 C ATOM 2100 CG ASN A 138 26.220 34.955 -8.091 1.00 1.36 C ATOM 2101 OD1 ASN A 138 26.659 33.829 -7.549 1.00 2.08 O flip ATOM 2102 ND2 ASN A 138 26.514 36.059 -7.643 1.00 2.17 N flip ATOM 0 H ASN A 138 24.203 32.624 -8.660 1.00 0.59 H new ATOM 0 HA ASN A 138 23.580 35.441 -8.169 1.00 0.66 H new ATOM 0 HB2 ASN A 138 25.616 33.958 -9.885 1.00 0.76 H new ATOM 0 HB3 ASN A 138 25.424 35.699 -9.932 1.00 0.76 H new ATOM 0 HD21 ASN A 138 26.155 36.903 -8.090 1.00 2.17 H new ATOM 0 HD22 ASN A 138 27.117 36.133 -6.824 1.00 2.17 H new ATOM 2109 N LYS A 139 21.727 34.300 -10.057 1.00 0.55 N ATOM 2110 CA LYS A 139 20.769 34.404 -11.166 1.00 0.56 C ATOM 2111 C LYS A 139 20.392 35.858 -11.454 1.00 0.66 C ATOM 2112 O LYS A 139 19.910 36.177 -12.536 1.00 0.76 O ATOM 2113 CB LYS A 139 19.493 33.606 -10.865 1.00 0.62 C ATOM 2114 CG LYS A 139 18.751 34.085 -9.623 1.00 0.75 C ATOM 2115 CD LYS A 139 17.408 33.388 -9.464 1.00 0.96 C ATOM 2116 CE LYS A 139 17.570 31.894 -9.228 1.00 0.74 C ATOM 2117 NZ LYS A 139 18.339 31.595 -7.993 1.00 1.39 N ATOM 0 H LYS A 139 21.384 33.769 -9.256 1.00 0.55 H new ATOM 0 HA LYS A 139 21.260 33.989 -12.046 1.00 0.56 H new ATOM 0 HB2 LYS A 139 18.825 33.669 -11.724 1.00 0.62 H new ATOM 0 HB3 LYS A 139 19.753 32.555 -10.740 1.00 0.62 H new ATOM 0 HG2 LYS A 139 19.363 33.901 -8.740 1.00 0.75 H new ATOM 0 HG3 LYS A 139 18.597 35.162 -9.685 1.00 0.75 H new ATOM 0 HD2 LYS A 139 16.865 33.831 -8.629 1.00 0.96 H new ATOM 0 HD3 LYS A 139 16.806 33.551 -10.358 1.00 0.96 H new ATOM 0 HE2 LYS A 139 16.586 31.431 -9.161 1.00 0.74 H new ATOM 0 HE3 LYS A 139 18.075 31.446 -10.084 1.00 0.74 H new ATOM 0 HZ1 LYS A 139 18.335 30.569 -7.822 1.00 1.39 H new ATOM 0 HZ2 LYS A 139 19.319 31.924 -8.106 1.00 1.39 H new ATOM 0 HZ3 LYS A 139 17.902 32.082 -7.185 1.00 1.39 H new ATOM 2131 N ARG A 140 20.585 36.731 -10.473 1.00 0.73 N ATOM 2132 CA ARG A 140 20.243 38.138 -10.640 1.00 0.87 C ATOM 2133 C ARG A 140 21.413 38.926 -11.213 1.00 0.86 C ATOM 2134 O ARG A 140 21.308 40.126 -11.462 1.00 1.01 O ATOM 2135 CB ARG A 140 19.768 38.735 -9.319 1.00 1.03 C ATOM 2136 CG ARG A 140 20.835 38.881 -8.248 1.00 1.11 C ATOM 2137 CD ARG A 140 20.225 39.420 -6.959 1.00 1.39 C ATOM 2138 NE ARG A 140 21.231 39.728 -5.945 1.00 1.65 N ATOM 2139 CZ ARG A 140 21.064 39.527 -4.639 1.00 2.04 C ATOM 2140 NH1 ARG A 140 19.941 38.985 -4.175 1.00 2.31 N ATOM 2141 NH2 ARG A 140 22.025 39.865 -3.790 1.00 2.46 N ATOM 0 H ARG A 140 20.973 36.492 -9.560 1.00 0.73 H new ATOM 0 HA ARG A 140 19.424 38.205 -11.356 1.00 0.87 H new ATOM 0 HB2 ARG A 140 19.340 39.718 -9.517 1.00 1.03 H new ATOM 0 HB3 ARG A 140 18.966 38.111 -8.926 1.00 1.03 H new ATOM 0 HG2 ARG A 140 21.304 37.915 -8.060 1.00 1.11 H new ATOM 0 HG3 ARG A 140 21.619 39.554 -8.596 1.00 1.11 H new ATOM 0 HD2 ARG A 140 19.652 40.320 -7.182 1.00 1.39 H new ATOM 0 HD3 ARG A 140 19.524 38.687 -6.559 1.00 1.39 H new ATOM 0 HE ARG A 140 22.118 40.122 -6.257 1.00 1.65 H new ATOM 0 HH11 ARG A 140 19.198 38.719 -4.821 1.00 2.31 H new ATOM 0 HH12 ARG A 140 19.823 38.835 -3.173 1.00 2.31 H new ATOM 0 HH21 ARG A 140 22.890 40.278 -4.137 1.00 2.46 H new ATOM 0 HH22 ARG A 140 21.899 39.712 -2.790 1.00 2.46 H new ATOM 2155 N ASP A 141 22.524 38.243 -11.411 1.00 0.73 N ATOM 2156 CA ASP A 141 23.659 38.810 -12.139 1.00 0.75 C ATOM 2157 C ASP A 141 23.468 38.529 -13.622 1.00 0.72 C ATOM 2158 O ASP A 141 22.864 37.520 -13.985 1.00 0.75 O ATOM 2159 CB ASP A 141 24.990 38.199 -11.668 1.00 0.74 C ATOM 2160 CG ASP A 141 26.201 38.860 -12.306 1.00 1.24 C ATOM 2161 OD1 ASP A 141 26.489 40.027 -11.965 1.00 1.89 O ATOM 2162 OD2 ASP A 141 26.880 38.213 -13.128 1.00 1.57 O ATOM 0 H ASP A 141 22.672 37.290 -11.079 1.00 0.73 H new ATOM 0 HA ASP A 141 23.699 39.883 -11.950 1.00 0.75 H new ATOM 0 HB2 ASP A 141 25.062 38.289 -10.584 1.00 0.74 H new ATOM 0 HB3 ASP A 141 24.998 37.134 -11.901 1.00 0.74 H new ATOM 2167 N LEU A 142 23.952 39.412 -14.479 1.00 0.85 N ATOM 2168 CA LEU A 142 23.807 39.205 -15.910 1.00 0.92 C ATOM 2169 C LEU A 142 24.808 38.169 -16.391 1.00 0.80 C ATOM 2170 O LEU A 142 25.950 38.481 -16.725 1.00 1.03 O ATOM 2171 CB LEU A 142 23.961 40.513 -16.684 1.00 1.16 C ATOM 2172 CG LEU A 142 22.884 41.564 -16.401 1.00 2.05 C ATOM 2173 CD1 LEU A 142 22.993 42.708 -17.390 1.00 2.56 C ATOM 2174 CD2 LEU A 142 21.491 40.955 -16.455 1.00 2.88 C ATOM 0 H LEU A 142 24.442 40.267 -14.215 1.00 0.85 H new ATOM 0 HA LEU A 142 22.800 38.834 -16.099 1.00 0.92 H new ATOM 0 HB2 LEU A 142 24.936 40.942 -16.452 1.00 1.16 H new ATOM 0 HB3 LEU A 142 23.957 40.289 -17.751 1.00 1.16 H new ATOM 0 HG LEU A 142 23.046 41.947 -15.394 1.00 2.05 H new ATOM 0 HD11 LEU A 142 22.221 43.448 -17.177 1.00 2.56 H new ATOM 0 HD12 LEU A 142 23.975 43.173 -17.302 1.00 2.56 H new ATOM 0 HD13 LEU A 142 22.861 42.327 -18.403 1.00 2.56 H new ATOM 0 HD21 LEU A 142 20.749 41.726 -16.250 1.00 2.88 H new ATOM 0 HD22 LEU A 142 21.315 40.536 -17.446 1.00 2.88 H new ATOM 0 HD23 LEU A 142 21.410 40.165 -15.708 1.00 2.88 H new ATOM 2186 N LEU A 143 24.355 36.932 -16.406 1.00 0.90 N ATOM 2187 CA LEU A 143 25.205 35.797 -16.695 1.00 0.81 C ATOM 2188 C LEU A 143 24.791 35.156 -18.016 1.00 0.88 C ATOM 2189 O LEU A 143 23.754 34.495 -18.095 1.00 0.97 O ATOM 2190 CB LEU A 143 25.080 34.791 -15.546 1.00 0.70 C ATOM 2191 CG LEU A 143 26.248 33.819 -15.370 1.00 0.60 C ATOM 2192 CD1 LEU A 143 27.530 34.578 -15.074 1.00 0.65 C ATOM 2193 CD2 LEU A 143 25.951 32.832 -14.248 1.00 0.58 C ATOM 0 H LEU A 143 23.383 36.686 -16.217 1.00 0.90 H new ATOM 0 HA LEU A 143 26.242 36.120 -16.787 1.00 0.81 H new ATOM 0 HB2 LEU A 143 24.953 35.346 -14.617 1.00 0.70 H new ATOM 0 HB3 LEU A 143 24.170 34.210 -15.697 1.00 0.70 H new ATOM 0 HG LEU A 143 26.378 33.264 -16.299 1.00 0.60 H new ATOM 0 HD11 LEU A 143 28.351 33.872 -14.952 1.00 0.65 H new ATOM 0 HD12 LEU A 143 27.752 35.253 -15.900 1.00 0.65 H new ATOM 0 HD13 LEU A 143 27.408 35.155 -14.157 1.00 0.65 H new ATOM 0 HD21 LEU A 143 26.791 32.147 -14.134 1.00 0.58 H new ATOM 0 HD22 LEU A 143 25.798 33.376 -13.316 1.00 0.58 H new ATOM 0 HD23 LEU A 143 25.051 32.266 -14.490 1.00 0.58 H new ATOM 2205 N GLN A 144 25.582 35.369 -19.056 1.00 0.90 N ATOM 2206 CA GLN A 144 25.237 34.857 -20.375 1.00 1.00 C ATOM 2207 C GLN A 144 26.391 34.067 -20.993 1.00 0.92 C ATOM 2208 O GLN A 144 27.382 33.775 -20.323 1.00 0.84 O ATOM 2209 CB GLN A 144 24.776 36.005 -21.289 1.00 1.21 C ATOM 2210 CG GLN A 144 25.734 37.188 -21.389 1.00 1.27 C ATOM 2211 CD GLN A 144 26.776 37.022 -22.476 1.00 1.47 C ATOM 2212 OE1 GLN A 144 26.529 37.335 -23.642 1.00 1.71 O ATOM 2213 NE2 GLN A 144 27.958 36.577 -22.093 1.00 1.77 N ATOM 0 H GLN A 144 26.459 35.888 -19.015 1.00 0.90 H new ATOM 0 HA GLN A 144 24.407 34.160 -20.264 1.00 1.00 H new ATOM 0 HB2 GLN A 144 24.613 35.606 -22.290 1.00 1.21 H new ATOM 0 HB3 GLN A 144 23.813 36.368 -20.930 1.00 1.21 H new ATOM 0 HG2 GLN A 144 25.161 38.096 -21.579 1.00 1.27 H new ATOM 0 HG3 GLN A 144 26.236 37.323 -20.431 1.00 1.27 H new ATOM 0 HE21 GLN A 144 28.118 36.330 -21.116 1.00 1.77 H new ATOM 0 HE22 GLN A 144 28.712 36.481 -22.774 1.00 1.77 H new ATOM 2222 N LYS A 145 26.245 33.708 -22.268 1.00 0.97 N ATOM 2223 CA LYS A 145 27.219 32.861 -22.955 1.00 0.98 C ATOM 2224 C LYS A 145 28.573 33.554 -23.060 1.00 1.01 C ATOM 2225 O LYS A 145 28.732 34.520 -23.807 1.00 1.11 O ATOM 2226 CB LYS A 145 26.713 32.509 -24.358 1.00 1.06 C ATOM 2227 CG LYS A 145 27.618 31.547 -25.115 1.00 1.17 C ATOM 2228 CD LYS A 145 27.140 31.338 -26.543 1.00 1.25 C ATOM 2229 CE LYS A 145 27.849 30.166 -27.211 1.00 1.41 C ATOM 2230 NZ LYS A 145 29.329 30.303 -27.171 1.00 1.43 N ATOM 0 H LYS A 145 25.456 33.993 -22.849 1.00 0.97 H new ATOM 0 HA LYS A 145 27.342 31.949 -22.371 1.00 0.98 H new ATOM 0 HB2 LYS A 145 25.719 32.069 -24.276 1.00 1.06 H new ATOM 0 HB3 LYS A 145 26.609 33.427 -24.937 1.00 1.06 H new ATOM 0 HG2 LYS A 145 28.636 31.935 -25.124 1.00 1.17 H new ATOM 0 HG3 LYS A 145 27.647 30.589 -24.596 1.00 1.17 H new ATOM 0 HD2 LYS A 145 26.065 31.161 -26.544 1.00 1.25 H new ATOM 0 HD3 LYS A 145 27.314 32.246 -27.121 1.00 1.25 H new ATOM 0 HE2 LYS A 145 27.559 29.239 -26.716 1.00 1.41 H new ATOM 0 HE3 LYS A 145 27.522 30.090 -28.248 1.00 1.41 H new ATOM 0 HZ1 LYS A 145 29.762 29.568 -27.765 1.00 1.43 H new ATOM 0 HZ2 LYS A 145 29.601 31.241 -27.528 1.00 1.43 H new ATOM 0 HZ3 LYS A 145 29.661 30.196 -26.191 1.00 1.43 H new ATOM 2244 N GLY A 146 29.547 33.046 -22.323 1.00 0.97 N ATOM 2245 CA GLY A 146 30.869 33.637 -22.344 1.00 1.06 C ATOM 2246 C GLY A 146 31.261 34.221 -21.003 1.00 1.00 C ATOM 2247 O GLY A 146 32.402 34.650 -20.819 1.00 1.07 O ATOM 0 H GLY A 146 29.447 32.236 -21.711 1.00 0.97 H new ATOM 0 HA2 GLY A 146 31.598 32.880 -22.635 1.00 1.06 H new ATOM 0 HA3 GLY A 146 30.902 34.420 -23.102 1.00 1.06 H new ATOM 2251 N ASP A 147 30.322 34.239 -20.064 1.00 0.90 N ATOM 2252 CA ASP A 147 30.619 34.686 -18.706 1.00 0.87 C ATOM 2253 C ASP A 147 31.308 33.585 -17.910 1.00 0.72 C ATOM 2254 O ASP A 147 30.975 32.404 -18.046 1.00 0.63 O ATOM 2255 CB ASP A 147 29.351 35.141 -17.981 1.00 0.89 C ATOM 2256 CG ASP A 147 28.910 36.520 -18.410 1.00 1.35 C ATOM 2257 OD1 ASP A 147 28.137 36.619 -19.386 1.00 1.94 O ATOM 2258 OD2 ASP A 147 29.316 37.505 -17.766 1.00 1.60 O ATOM 0 H ASP A 147 29.355 33.952 -20.215 1.00 0.90 H new ATOM 0 HA ASP A 147 31.294 35.538 -18.783 1.00 0.87 H new ATOM 0 HB2 ASP A 147 28.549 34.429 -18.175 1.00 0.89 H new ATOM 0 HB3 ASP A 147 29.528 35.137 -16.906 1.00 0.89 H new ATOM 2263 N LEU A 148 32.266 33.978 -17.078 1.00 0.75 N ATOM 2264 CA LEU A 148 33.047 33.023 -16.293 1.00 0.66 C ATOM 2265 C LEU A 148 32.383 32.738 -14.952 1.00 0.60 C ATOM 2266 O LEU A 148 31.863 33.647 -14.301 1.00 0.63 O ATOM 2267 CB LEU A 148 34.459 33.552 -16.052 1.00 0.75 C ATOM 2268 CG LEU A 148 35.314 33.728 -17.307 1.00 0.93 C ATOM 2269 CD1 LEU A 148 36.662 34.319 -16.950 1.00 1.46 C ATOM 2270 CD2 LEU A 148 35.500 32.400 -18.023 1.00 1.79 C ATOM 0 H LEU A 148 32.523 34.954 -16.928 1.00 0.75 H new ATOM 0 HA LEU A 148 33.099 32.096 -16.865 1.00 0.66 H new ATOM 0 HB2 LEU A 148 34.387 34.514 -15.544 1.00 0.75 H new ATOM 0 HB3 LEU A 148 34.974 32.871 -15.374 1.00 0.75 H new ATOM 0 HG LEU A 148 34.795 34.413 -17.977 1.00 0.93 H new ATOM 0 HD11 LEU A 148 37.258 34.438 -17.855 1.00 1.46 H new ATOM 0 HD12 LEU A 148 36.520 35.292 -16.479 1.00 1.46 H new ATOM 0 HD13 LEU A 148 37.180 33.654 -16.259 1.00 1.46 H new ATOM 0 HD21 LEU A 148 36.111 32.549 -18.913 1.00 1.79 H new ATOM 0 HD22 LEU A 148 35.995 31.694 -17.357 1.00 1.79 H new ATOM 0 HD23 LEU A 148 34.527 32.004 -18.313 1.00 1.79 H new ATOM 2282 N VAL A 149 32.417 31.475 -14.540 1.00 0.53 N ATOM 2283 CA VAL A 149 31.780 31.052 -13.298 1.00 0.48 C ATOM 2284 C VAL A 149 32.637 30.043 -12.537 1.00 0.46 C ATOM 2285 O VAL A 149 33.449 29.328 -13.130 1.00 0.49 O ATOM 2286 CB VAL A 149 30.394 30.410 -13.555 1.00 0.50 C ATOM 2287 CG1 VAL A 149 29.421 31.428 -14.116 1.00 1.16 C ATOM 2288 CG2 VAL A 149 30.513 29.214 -14.491 1.00 1.10 C ATOM 0 H VAL A 149 32.881 30.724 -15.051 1.00 0.53 H new ATOM 0 HA VAL A 149 31.661 31.956 -12.700 1.00 0.48 H new ATOM 0 HB VAL A 149 30.007 30.058 -12.599 1.00 0.50 H new ATOM 0 HG11 VAL A 149 28.455 30.952 -14.288 1.00 1.16 H new ATOM 0 HG12 VAL A 149 29.301 32.246 -13.406 1.00 1.16 H new ATOM 0 HG13 VAL A 149 29.806 31.818 -15.058 1.00 1.16 H new ATOM 0 HG21 VAL A 149 29.526 28.781 -14.655 1.00 1.10 H new ATOM 0 HG22 VAL A 149 30.931 29.538 -15.444 1.00 1.10 H new ATOM 0 HG23 VAL A 149 31.168 28.466 -14.044 1.00 1.10 H new ATOM 2298 N SER A 150 32.457 30.016 -11.225 1.00 0.46 N ATOM 2299 CA SER A 150 33.015 28.969 -10.386 1.00 0.47 C ATOM 2300 C SER A 150 31.875 28.217 -9.707 1.00 0.41 C ATOM 2301 O SER A 150 30.849 28.812 -9.370 1.00 0.49 O ATOM 2302 CB SER A 150 33.969 29.555 -9.342 1.00 0.59 C ATOM 2303 OG SER A 150 35.125 30.110 -9.951 1.00 1.44 O ATOM 0 H SER A 150 31.921 30.718 -10.714 1.00 0.46 H new ATOM 0 HA SER A 150 33.589 28.280 -11.006 1.00 0.47 H new ATOM 0 HB2 SER A 150 33.454 30.324 -8.767 1.00 0.59 H new ATOM 0 HB3 SER A 150 34.264 28.776 -8.639 1.00 0.59 H new ATOM 0 HG SER A 150 35.714 30.478 -9.260 1.00 1.44 H new ATOM 2309 N PHE A 151 32.041 26.917 -9.523 1.00 0.34 N ATOM 2310 CA PHE A 151 30.974 26.083 -8.987 1.00 0.34 C ATOM 2311 C PHE A 151 31.539 24.804 -8.386 1.00 0.41 C ATOM 2312 O PHE A 151 32.740 24.548 -8.455 1.00 0.49 O ATOM 2313 CB PHE A 151 29.977 25.742 -10.099 1.00 0.30 C ATOM 2314 CG PHE A 151 30.620 25.174 -11.333 1.00 0.35 C ATOM 2315 CD1 PHE A 151 30.967 26.007 -12.384 1.00 0.39 C ATOM 2316 CD2 PHE A 151 30.888 23.818 -11.441 1.00 0.47 C ATOM 2317 CE1 PHE A 151 31.564 25.501 -13.521 1.00 0.53 C ATOM 2318 CE2 PHE A 151 31.485 23.306 -12.574 1.00 0.59 C ATOM 2319 CZ PHE A 151 31.828 24.150 -13.613 1.00 0.61 C ATOM 0 H PHE A 151 32.903 26.416 -9.736 1.00 0.34 H new ATOM 0 HA PHE A 151 30.463 26.636 -8.199 1.00 0.34 H new ATOM 0 HB2 PHE A 151 29.250 25.026 -9.716 1.00 0.30 H new ATOM 0 HB3 PHE A 151 29.425 26.642 -10.369 1.00 0.30 H new ATOM 0 HD1 PHE A 151 30.768 27.066 -12.313 1.00 0.39 H new ATOM 0 HD2 PHE A 151 30.626 23.155 -10.629 1.00 0.47 H new ATOM 0 HE1 PHE A 151 31.824 26.160 -14.336 1.00 0.53 H new ATOM 0 HE2 PHE A 151 31.684 22.247 -12.649 1.00 0.59 H new ATOM 0 HZ PHE A 151 32.303 23.752 -14.497 1.00 0.61 H new ATOM 2329 N ARG A 152 30.680 23.989 -7.808 1.00 0.44 N ATOM 2330 CA ARG A 152 31.124 22.722 -7.270 1.00 0.51 C ATOM 2331 C ARG A 152 30.176 21.598 -7.652 1.00 0.50 C ATOM 2332 O ARG A 152 28.969 21.678 -7.430 1.00 0.54 O ATOM 2333 CB ARG A 152 31.265 22.816 -5.747 1.00 0.69 C ATOM 2334 CG ARG A 152 30.024 23.340 -5.037 1.00 0.94 C ATOM 2335 CD ARG A 152 30.281 23.539 -3.552 1.00 1.05 C ATOM 2336 NE ARG A 152 31.393 24.459 -3.312 1.00 1.29 N ATOM 2337 CZ ARG A 152 31.525 25.207 -2.218 1.00 1.57 C ATOM 2338 NH1 ARG A 152 30.616 25.153 -1.252 1.00 2.03 N ATOM 2339 NH2 ARG A 152 32.565 26.025 -2.090 1.00 2.20 N ATOM 0 H ARG A 152 29.684 24.179 -7.700 1.00 0.44 H new ATOM 0 HA ARG A 152 32.099 22.493 -7.700 1.00 0.51 H new ATOM 0 HB2 ARG A 152 31.505 21.828 -5.354 1.00 0.69 H new ATOM 0 HB3 ARG A 152 32.107 23.466 -5.511 1.00 0.69 H new ATOM 0 HG2 ARG A 152 29.718 24.285 -5.485 1.00 0.94 H new ATOM 0 HG3 ARG A 152 29.200 22.640 -5.175 1.00 0.94 H new ATOM 0 HD2 ARG A 152 29.380 23.926 -3.076 1.00 1.05 H new ATOM 0 HD3 ARG A 152 30.499 22.577 -3.089 1.00 1.05 H new ATOM 0 HE ARG A 152 32.114 24.532 -4.029 1.00 1.29 H new ATOM 0 HH11 ARG A 152 29.809 24.536 -1.345 1.00 2.03 H new ATOM 0 HH12 ARG A 152 30.724 25.729 -0.417 1.00 2.03 H new ATOM 0 HH21 ARG A 152 33.264 26.081 -2.831 1.00 2.20 H new ATOM 0 HH22 ARG A 152 32.664 26.597 -1.251 1.00 2.20 H new ATOM 2353 N ILE A 153 30.733 20.582 -8.288 1.00 0.51 N ATOM 2354 CA ILE A 153 30.042 19.324 -8.495 1.00 0.56 C ATOM 2355 C ILE A 153 30.516 18.311 -7.458 1.00 0.65 C ATOM 2356 O ILE A 153 31.712 18.037 -7.353 1.00 0.75 O ATOM 2357 CB ILE A 153 30.247 18.780 -9.934 1.00 0.58 C ATOM 2358 CG1 ILE A 153 29.743 17.336 -10.052 1.00 1.23 C ATOM 2359 CG2 ILE A 153 31.705 18.871 -10.354 1.00 0.93 C ATOM 2360 CD1 ILE A 153 29.897 16.748 -11.436 1.00 1.24 C ATOM 0 H ILE A 153 31.677 20.607 -8.675 1.00 0.51 H new ATOM 0 HA ILE A 153 28.972 19.495 -8.373 1.00 0.56 H new ATOM 0 HB ILE A 153 29.661 19.404 -10.609 1.00 0.58 H new ATOM 0 HG12 ILE A 153 30.284 16.713 -9.340 1.00 1.23 H new ATOM 0 HG13 ILE A 153 28.691 17.304 -9.769 1.00 1.23 H new ATOM 0 HG21 ILE A 153 31.817 18.483 -11.366 1.00 0.93 H new ATOM 0 HG22 ILE A 153 32.027 19.912 -10.327 1.00 0.93 H new ATOM 0 HG23 ILE A 153 32.318 18.284 -9.670 1.00 0.93 H new ATOM 0 HD11 ILE A 153 29.519 15.726 -11.441 1.00 1.24 H new ATOM 0 HD12 ILE A 153 29.333 17.347 -12.151 1.00 1.24 H new ATOM 0 HD13 ILE A 153 30.951 16.747 -11.716 1.00 1.24 H new ATOM 2372 N ASP A 154 29.591 17.772 -6.685 1.00 0.71 N ATOM 2373 CA ASP A 154 29.945 16.824 -5.636 1.00 0.82 C ATOM 2374 C ASP A 154 28.783 15.871 -5.349 1.00 0.96 C ATOM 2375 O ASP A 154 28.607 14.878 -6.055 1.00 1.09 O ATOM 2376 CB ASP A 154 30.401 17.579 -4.370 1.00 0.84 C ATOM 2377 CG ASP A 154 29.410 18.635 -3.907 1.00 1.45 C ATOM 2378 OD1 ASP A 154 29.418 19.749 -4.472 1.00 1.92 O ATOM 2379 OD2 ASP A 154 28.631 18.360 -2.971 1.00 1.73 O ATOM 0 H ASP A 154 28.593 17.971 -6.760 1.00 0.71 H new ATOM 0 HA ASP A 154 30.781 16.213 -5.977 1.00 0.82 H new ATOM 0 HB2 ASP A 154 30.558 16.861 -3.565 1.00 0.84 H new ATOM 0 HB3 ASP A 154 31.362 18.054 -4.566 1.00 0.84 H new ATOM 2384 N GLU A 155 27.970 16.195 -4.359 1.00 1.00 N ATOM 2385 CA GLU A 155 26.809 15.390 -4.012 1.00 1.17 C ATOM 2386 C GLU A 155 25.655 15.753 -4.932 1.00 1.23 C ATOM 2387 O GLU A 155 24.677 15.015 -5.061 1.00 1.46 O ATOM 2388 CB GLU A 155 26.406 15.646 -2.557 1.00 1.25 C ATOM 2389 CG GLU A 155 27.491 15.319 -1.540 1.00 1.32 C ATOM 2390 CD GLU A 155 27.716 13.831 -1.374 1.00 2.00 C ATOM 2391 OE1 GLU A 155 26.802 13.141 -0.878 1.00 2.28 O ATOM 2392 OE2 GLU A 155 28.819 13.344 -1.709 1.00 2.76 O ATOM 0 H GLU A 155 28.094 17.021 -3.774 1.00 1.00 H new ATOM 0 HA GLU A 155 27.056 14.335 -4.129 1.00 1.17 H new ATOM 0 HB2 GLU A 155 26.127 16.694 -2.449 1.00 1.25 H new ATOM 0 HB3 GLU A 155 25.520 15.054 -2.328 1.00 1.25 H new ATOM 0 HG2 GLU A 155 28.424 15.790 -1.848 1.00 1.32 H new ATOM 0 HG3 GLU A 155 27.220 15.750 -0.576 1.00 1.32 H new ATOM 2399 N SER A 156 25.790 16.905 -5.571 1.00 1.10 N ATOM 2400 CA SER A 156 24.765 17.418 -6.463 1.00 1.19 C ATOM 2401 C SER A 156 24.898 16.818 -7.859 1.00 1.14 C ATOM 2402 O SER A 156 23.948 16.834 -8.644 1.00 1.27 O ATOM 2403 CB SER A 156 24.894 18.938 -6.533 1.00 1.17 C ATOM 2404 OG SER A 156 26.235 19.309 -6.825 1.00 1.98 O ATOM 0 H SER A 156 26.609 17.507 -5.486 1.00 1.10 H new ATOM 0 HA SER A 156 23.785 17.140 -6.075 1.00 1.19 H new ATOM 0 HB2 SER A 156 24.226 19.331 -7.300 1.00 1.17 H new ATOM 0 HB3 SER A 156 24.586 19.379 -5.585 1.00 1.17 H new ATOM 0 HG SER A 156 26.480 20.095 -6.293 1.00 1.98 H new ATOM 2410 N GLY A 157 26.080 16.281 -8.152 1.00 1.04 N ATOM 2411 CA GLY A 157 26.334 15.659 -9.449 1.00 1.09 C ATOM 2412 C GLY A 157 26.214 16.619 -10.633 1.00 1.02 C ATOM 2413 O GLY A 157 26.305 16.199 -11.785 1.00 1.27 O ATOM 0 H GLY A 157 26.874 16.264 -7.512 1.00 1.04 H new ATOM 0 HA2 GLY A 157 27.335 15.228 -9.444 1.00 1.09 H new ATOM 0 HA3 GLY A 157 25.633 14.836 -9.589 1.00 1.09 H new ATOM 2417 N ARG A 158 26.032 17.904 -10.351 1.00 0.79 N ATOM 2418 CA ARG A 158 25.885 18.922 -11.385 1.00 0.72 C ATOM 2419 C ARG A 158 26.681 20.152 -10.980 1.00 0.56 C ATOM 2420 O ARG A 158 27.480 20.093 -10.049 1.00 0.57 O ATOM 2421 CB ARG A 158 24.409 19.314 -11.591 1.00 0.85 C ATOM 2422 CG ARG A 158 23.535 18.219 -12.195 1.00 1.47 C ATOM 2423 CD ARG A 158 22.242 18.785 -12.781 1.00 1.52 C ATOM 2424 NE ARG A 158 21.392 19.430 -11.775 1.00 2.12 N ATOM 2425 CZ ARG A 158 20.279 20.123 -12.067 1.00 2.75 C ATOM 2426 NH1 ARG A 158 19.870 20.256 -13.324 1.00 3.00 N ATOM 2427 NH2 ARG A 158 19.564 20.674 -11.097 1.00 3.61 N ATOM 0 H ARG A 158 25.982 18.269 -9.400 1.00 0.79 H new ATOM 0 HA ARG A 158 26.257 18.514 -12.325 1.00 0.72 H new ATOM 0 HB2 ARG A 158 23.988 19.607 -10.629 1.00 0.85 H new ATOM 0 HB3 ARG A 158 24.367 20.191 -12.237 1.00 0.85 H new ATOM 0 HG2 ARG A 158 24.091 17.699 -12.975 1.00 1.47 H new ATOM 0 HG3 ARG A 158 23.295 17.481 -11.429 1.00 1.47 H new ATOM 0 HD2 ARG A 158 22.488 19.508 -13.559 1.00 1.52 H new ATOM 0 HD3 ARG A 158 21.683 17.980 -13.259 1.00 1.52 H new ATOM 0 HE ARG A 158 21.662 19.347 -10.795 1.00 2.12 H new ATOM 0 HH11 ARG A 158 20.403 19.829 -14.082 1.00 3.00 H new ATOM 0 HH12 ARG A 158 19.023 20.785 -13.531 1.00 3.00 H new ATOM 0 HH21 ARG A 158 19.858 20.572 -10.126 1.00 3.61 H new ATOM 0 HH22 ARG A 158 18.719 21.200 -11.322 1.00 3.61 H new ATOM 2441 N ALA A 159 26.466 21.263 -11.663 1.00 0.48 N ATOM 2442 CA ALA A 159 27.123 22.498 -11.286 1.00 0.39 C ATOM 2443 C ALA A 159 26.296 23.207 -10.224 1.00 0.39 C ATOM 2444 O ALA A 159 25.218 23.733 -10.509 1.00 0.48 O ATOM 2445 CB ALA A 159 27.325 23.383 -12.504 1.00 0.37 C ATOM 0 H ALA A 159 25.849 21.334 -12.472 1.00 0.48 H new ATOM 0 HA ALA A 159 28.106 22.275 -10.872 1.00 0.39 H new ATOM 0 HB1 ALA A 159 27.820 24.307 -12.204 1.00 0.37 H new ATOM 0 HB2 ALA A 159 27.943 22.861 -13.235 1.00 0.37 H new ATOM 0 HB3 ALA A 159 26.358 23.617 -12.948 1.00 0.37 H new ATOM 2451 N ALA A 160 26.792 23.193 -8.996 1.00 0.38 N ATOM 2452 CA ALA A 160 26.075 23.788 -7.884 1.00 0.41 C ATOM 2453 C ALA A 160 26.849 24.957 -7.293 1.00 0.41 C ATOM 2454 O ALA A 160 28.075 25.022 -7.417 1.00 0.42 O ATOM 2455 CB ALA A 160 25.796 22.745 -6.816 1.00 0.49 C ATOM 0 H ALA A 160 27.689 22.775 -8.747 1.00 0.38 H new ATOM 0 HA ALA A 160 25.126 24.169 -8.261 1.00 0.41 H new ATOM 0 HB1 ALA A 160 25.258 23.207 -5.988 1.00 0.49 H new ATOM 0 HB2 ALA A 160 25.192 21.943 -7.240 1.00 0.49 H new ATOM 0 HB3 ALA A 160 26.738 22.336 -6.452 1.00 0.49 H new ATOM 2461 N CYS A 161 26.117 25.872 -6.653 1.00 0.47 N ATOM 2462 CA CYS A 161 26.704 27.062 -6.039 1.00 0.51 C ATOM 2463 C CYS A 161 27.447 27.899 -7.078 1.00 0.42 C ATOM 2464 O CYS A 161 28.492 28.479 -6.782 1.00 0.49 O ATOM 2465 CB CYS A 161 27.651 26.666 -4.901 1.00 0.63 C ATOM 2466 SG CYS A 161 26.866 25.701 -3.589 1.00 1.55 S ATOM 0 H CYS A 161 25.105 25.808 -6.547 1.00 0.47 H new ATOM 0 HA CYS A 161 25.895 27.665 -5.627 1.00 0.51 H new ATOM 0 HB2 CYS A 161 28.479 26.090 -5.315 1.00 0.63 H new ATOM 0 HB3 CYS A 161 28.078 27.570 -4.467 1.00 0.63 H new ATOM 0 HG CYS A 161 27.746 25.413 -2.676 1.00 1.55 H new ATOM 2472 N VAL A 162 26.888 27.973 -8.286 1.00 0.37 N ATOM 2473 CA VAL A 162 27.529 28.701 -9.369 1.00 0.35 C ATOM 2474 C VAL A 162 27.595 30.189 -9.041 1.00 0.39 C ATOM 2475 O VAL A 162 26.574 30.856 -8.833 1.00 0.48 O ATOM 2476 CB VAL A 162 26.827 28.482 -10.736 1.00 0.45 C ATOM 2477 CG1 VAL A 162 26.836 27.015 -11.117 1.00 1.15 C ATOM 2478 CG2 VAL A 162 25.403 29.005 -10.733 1.00 1.26 C ATOM 0 H VAL A 162 25.999 27.539 -8.533 1.00 0.37 H new ATOM 0 HA VAL A 162 28.540 28.304 -9.463 1.00 0.35 H new ATOM 0 HB VAL A 162 27.391 29.048 -11.477 1.00 0.45 H new ATOM 0 HG11 VAL A 162 26.339 26.886 -12.078 1.00 1.15 H new ATOM 0 HG12 VAL A 162 27.865 26.665 -11.191 1.00 1.15 H new ATOM 0 HG13 VAL A 162 26.310 26.438 -10.356 1.00 1.15 H new ATOM 0 HG21 VAL A 162 24.950 28.831 -11.709 1.00 1.26 H new ATOM 0 HG22 VAL A 162 24.826 28.486 -9.967 1.00 1.26 H new ATOM 0 HG23 VAL A 162 25.408 30.074 -10.521 1.00 1.26 H new ATOM 2488 N ASN A 163 28.803 30.698 -8.944 1.00 0.43 N ATOM 2489 CA ASN A 163 29.003 32.099 -8.644 1.00 0.53 C ATOM 2490 C ASN A 163 29.727 32.784 -9.789 1.00 0.52 C ATOM 2491 O ASN A 163 30.795 32.345 -10.225 1.00 0.53 O ATOM 2492 CB ASN A 163 29.743 32.288 -7.307 1.00 0.67 C ATOM 2493 CG ASN A 163 31.037 31.496 -7.203 1.00 1.29 C ATOM 2494 OD1 ASN A 163 32.112 31.984 -7.547 1.00 1.96 O ATOM 2495 ND2 ASN A 163 30.944 30.270 -6.705 1.00 2.05 N ATOM 0 H ASN A 163 29.662 30.163 -9.068 1.00 0.43 H new ATOM 0 HA ASN A 163 28.026 32.569 -8.533 1.00 0.53 H new ATOM 0 HB2 ASN A 163 29.964 33.347 -7.172 1.00 0.67 H new ATOM 0 HB3 ASN A 163 29.082 31.994 -6.492 1.00 0.67 H new ATOM 0 HD21 ASN A 163 31.782 29.699 -6.597 1.00 2.05 H new ATOM 0 HD22 ASN A 163 30.035 29.899 -6.430 1.00 2.05 H new ATOM 2502 N ALA A 164 29.099 33.829 -10.314 1.00 0.53 N ATOM 2503 CA ALA A 164 29.666 34.610 -11.398 1.00 0.56 C ATOM 2504 C ALA A 164 30.917 35.342 -10.940 1.00 0.63 C ATOM 2505 O ALA A 164 30.840 36.347 -10.228 1.00 0.75 O ATOM 2506 CB ALA A 164 28.639 35.596 -11.923 1.00 0.60 C ATOM 0 H ALA A 164 28.185 34.155 -9.999 1.00 0.53 H new ATOM 0 HA ALA A 164 29.946 33.930 -12.203 1.00 0.56 H new ATOM 0 HB1 ALA A 164 29.075 36.177 -12.736 1.00 0.60 H new ATOM 0 HB2 ALA A 164 27.768 35.053 -12.291 1.00 0.60 H new ATOM 0 HB3 ALA A 164 28.335 36.267 -11.120 1.00 0.60 H new ATOM 2512 N VAL A 165 32.064 34.824 -11.332 1.00 0.62 N ATOM 2513 CA VAL A 165 33.324 35.404 -10.930 1.00 0.70 C ATOM 2514 C VAL A 165 34.220 35.647 -12.139 1.00 0.71 C ATOM 2515 O VAL A 165 34.696 34.713 -12.792 1.00 0.95 O ATOM 2516 CB VAL A 165 34.040 34.516 -9.884 1.00 1.07 C ATOM 2517 CG1 VAL A 165 34.223 33.095 -10.397 1.00 1.43 C ATOM 2518 CG2 VAL A 165 35.374 35.120 -9.479 1.00 1.56 C ATOM 0 H VAL A 165 32.147 34.001 -11.929 1.00 0.62 H new ATOM 0 HA VAL A 165 33.114 36.366 -10.463 1.00 0.70 H new ATOM 0 HB VAL A 165 33.405 34.471 -8.999 1.00 1.07 H new ATOM 0 HG11 VAL A 165 34.729 32.497 -9.639 1.00 1.43 H new ATOM 0 HG12 VAL A 165 33.248 32.658 -10.613 1.00 1.43 H new ATOM 0 HG13 VAL A 165 34.823 33.111 -11.307 1.00 1.43 H new ATOM 0 HG21 VAL A 165 35.856 34.476 -8.743 1.00 1.56 H new ATOM 0 HG22 VAL A 165 36.014 35.211 -10.357 1.00 1.56 H new ATOM 0 HG23 VAL A 165 35.210 36.107 -9.046 1.00 1.56 H new ATOM 2528 N ARG A 166 34.413 36.912 -12.459 1.00 0.84 N ATOM 2529 CA ARG A 166 35.299 37.286 -13.536 1.00 1.15 C ATOM 2530 C ARG A 166 36.721 37.313 -13.011 1.00 1.13 C ATOM 2531 O ARG A 166 37.071 38.124 -12.152 1.00 1.05 O ATOM 2532 CB ARG A 166 34.903 38.637 -14.140 1.00 1.51 C ATOM 2533 CG ARG A 166 33.620 38.584 -14.963 1.00 1.76 C ATOM 2534 CD ARG A 166 32.370 38.458 -14.094 1.00 1.58 C ATOM 2535 NE ARG A 166 31.150 38.306 -14.896 1.00 1.94 N ATOM 2536 CZ ARG A 166 29.905 38.379 -14.406 1.00 2.24 C ATOM 2537 NH1 ARG A 166 29.700 38.613 -13.117 1.00 2.45 N ATOM 2538 NH2 ARG A 166 28.859 38.210 -15.208 1.00 2.94 N ATOM 0 H ARG A 166 33.966 37.697 -11.985 1.00 0.84 H new ATOM 0 HA ARG A 166 35.223 36.551 -14.337 1.00 1.15 H new ATOM 0 HB2 ARG A 166 34.780 39.363 -13.336 1.00 1.51 H new ATOM 0 HB3 ARG A 166 35.716 38.996 -14.772 1.00 1.51 H new ATOM 0 HG2 ARG A 166 33.546 39.485 -15.572 1.00 1.76 H new ATOM 0 HG3 ARG A 166 33.668 37.739 -15.649 1.00 1.76 H new ATOM 0 HD2 ARG A 166 32.476 37.600 -13.431 1.00 1.58 H new ATOM 0 HD3 ARG A 166 32.279 39.341 -13.461 1.00 1.58 H new ATOM 0 HE ARG A 166 31.257 38.133 -15.895 1.00 1.94 H new ATOM 0 HH11 ARG A 166 30.494 38.739 -12.489 1.00 2.45 H new ATOM 0 HH12 ARG A 166 28.749 38.667 -12.753 1.00 2.45 H new ATOM 0 HH21 ARG A 166 29.002 38.024 -16.201 1.00 2.94 H new ATOM 0 HH22 ARG A 166 27.913 38.266 -14.831 1.00 2.94 H new