USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 55 THR OG1 : rot 114:sc= 0.947 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.829 USER MOD Set 2.1: A 49 GLN : amide:sc= -2.57! C(o=-5.3!,f=-12!) USER MOD Set 2.2: B 19 ASN : amide:sc= -2.76! C(o=-5.3!,f=-5.2!) USER MOD Set 3.1: A 22 THR OG1 : rot -67:sc= -0.259 USER MOD Set 3.2: A 25 ASN :FLIP amide:sc= -0.322 F(o=-2.9,f=-0.58) USER MOD Single : A 1 MET CE :methyl 179:sc= -1.08 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.26 (180deg=-0.254) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= 0.21 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 86:sc= 0.0788 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=0.000722 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.344 (180deg=0.0168) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= -0.0541 (180deg=-0.239) USER MOD Single : A 31 GLN : amide:sc= -1.71 X(o=-1.7,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0151 (180deg=-0.179) USER MOD Single : A 40 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.044) USER MOD Single : A 41 GLN : amide:sc= -1.85 K(o=-1.8,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 136:sc= 0.361 (180deg=0) USER MOD Single : A 59 TYR OH : rot 129:sc= 0.63 USER MOD Single : A 60 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -97:sc= 0.209 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.433 X(o=-0.43,f=-0.15) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc=-0.00743 USER MOD Single : B 9 CYS SG : rot 180:sc= -5.36! USER MOD Single : B 11 THR OG1 : rot 151:sc= 1.53 USER MOD Single : B 15 TYR OH : rot 15:sc= -0.547 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.103 USER MOD Single : B 18 THR OG1 : rot 180:sc= -1.06 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.648 USER MOD Single : B 32 HIS : no HE2:sc= 0.0544 K(o=0.054,f=-1) USER MOD Single : B 35 SER OG : rot 180:sc= -0.0133 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 108:sc= 1.08 USER MOD Single : B 45 LYS NZ :NH3+ 174:sc= -0.975 (180deg=-0.992) USER MOD Single : B 49 ASN :FLIP amide:sc= -0.126 F(o=-0.94,f=-0.13) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= -0.0139 K(o=-0.014,f=-0.97) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.801 -20.375 -5.672 1.00 15.13 N ATOM 2 CA MET A 1 -13.879 -19.689 -4.732 1.00 14.88 C ATOM 3 C MET A 1 -13.475 -18.325 -5.271 1.00 13.56 C ATOM 4 O MET A 1 -12.758 -18.227 -6.269 1.00 12.96 O ATOM 5 CB MET A 1 -12.637 -20.547 -4.480 1.00 15.67 C ATOM 6 CG MET A 1 -12.932 -21.834 -3.724 1.00 15.34 C ATOM 7 SD MET A 1 -11.459 -22.835 -3.437 1.00 16.50 S ATOM 8 CE MET A 1 -10.514 -21.765 -2.355 1.00 15.91 C ATOM 0 H1 MET A 1 -15.452 -20.984 -5.137 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.347 -19.666 -6.202 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.251 -20.956 -6.336 1.00 15.13 H new ATOM 0 HA MET A 1 -14.403 -19.544 -3.787 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.176 -20.794 -5.436 1.00 15.67 H new ATOM 0 HB3 MET A 1 -11.910 -19.963 -3.917 1.00 15.67 H new ATOM 0 HG2 MET A 1 -13.391 -21.589 -2.766 1.00 15.34 H new ATOM 0 HG3 MET A 1 -13.659 -22.420 -4.285 1.00 15.34 H new ATOM 0 HE1 MET A 1 -9.583 -22.259 -2.078 1.00 15.91 H new ATOM 0 HE2 MET A 1 -10.290 -20.831 -2.871 1.00 15.91 H new ATOM 0 HE3 MET A 1 -11.093 -21.553 -1.456 1.00 15.91 H new ATOM 20 N GLN A 2 -13.945 -17.276 -4.603 1.00 13.22 N ATOM 21 CA GLN A 2 -13.640 -15.910 -5.006 1.00 12.04 C ATOM 22 C GLN A 2 -12.270 -15.488 -4.492 1.00 11.88 C ATOM 23 O GLN A 2 -11.801 -15.981 -3.466 1.00 12.64 O ATOM 24 CB GLN A 2 -14.714 -14.951 -4.484 1.00 11.89 C ATOM 25 CG GLN A 2 -14.459 -13.492 -4.835 1.00 10.95 C ATOM 26 CD GLN A 2 -15.542 -12.568 -4.314 1.00 11.15 C ATOM 27 OE1 GLN A 2 -15.452 -12.053 -3.200 1.00 10.74 O ATOM 28 NE2 GLN A 2 -16.576 -12.356 -5.119 1.00 11.94 N ATOM 0 H GLN A 2 -14.540 -17.348 -3.778 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.627 -15.871 -6.095 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.681 -15.249 -4.889 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.779 -15.048 -3.400 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -13.497 -13.186 -4.424 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -14.390 -13.390 -5.918 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -16.610 -12.804 -6.035 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -17.337 -11.745 -4.822 1.00 11.94 H new ATOM 37 N ILE A 3 -11.632 -14.575 -5.217 1.00 10.95 N ATOM 38 CA ILE A 3 -10.321 -14.070 -4.838 1.00 10.68 C ATOM 39 C ILE A 3 -10.206 -12.590 -5.176 1.00 9.47 C ATOM 40 O ILE A 3 -10.781 -12.120 -6.158 1.00 8.82 O ATOM 41 CB ILE A 3 -9.173 -14.847 -5.522 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.283 -14.757 -7.049 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.179 -16.303 -5.070 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.083 -15.326 -7.778 1.00 10.30 C ATOM 0 H ILE A 3 -12.006 -14.169 -6.075 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.225 -14.212 -3.762 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.228 -14.392 -5.225 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.179 -15.287 -7.372 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.410 -13.713 -7.335 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.366 -16.839 -5.559 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.046 -16.349 -3.989 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.130 -16.763 -5.338 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.231 -15.228 -8.854 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.186 -14.781 -7.484 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -7.967 -16.379 -7.522 1.00 10.30 H new ATOM 56 N PHE A 4 -9.463 -11.867 -4.353 1.00 9.25 N ATOM 57 CA PHE A 4 -9.274 -10.437 -4.545 1.00 8.23 C ATOM 58 C PHE A 4 -7.981 -10.167 -5.300 1.00 7.51 C ATOM 59 O PHE A 4 -6.963 -10.811 -5.053 1.00 7.97 O ATOM 60 CB PHE A 4 -9.262 -9.719 -3.192 1.00 8.76 C ATOM 61 CG PHE A 4 -10.440 -10.068 -2.324 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.729 -9.752 -2.722 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.259 -10.720 -1.113 1.00 10.81 C ATOM 64 CE1 PHE A 4 -12.814 -10.077 -1.931 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.341 -11.048 -0.318 1.00 11.64 C ATOM 66 CZ PHE A 4 -12.620 -10.725 -0.727 1.00 11.33 C ATOM 0 H PHE A 4 -8.978 -12.249 -3.541 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.105 -10.053 -5.137 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.343 -9.970 -2.663 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.249 -8.642 -3.360 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.888 -9.245 -3.662 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.261 -10.974 -0.788 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -13.813 -9.825 -2.254 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -11.186 -11.556 0.622 1.00 11.64 H new ATOM 0 HZ PHE A 4 -13.467 -10.979 -0.106 1.00 11.33 H new ATOM 76 N VAL A 5 -8.032 -9.216 -6.226 1.00 6.47 N ATOM 77 CA VAL A 5 -6.867 -8.849 -7.020 1.00 5.80 C ATOM 78 C VAL A 5 -6.588 -7.364 -6.853 1.00 4.97 C ATOM 79 O VAL A 5 -7.122 -6.532 -7.589 1.00 4.55 O ATOM 80 CB VAL A 5 -7.063 -9.175 -8.518 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.804 -8.846 -9.309 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.450 -10.637 -8.702 1.00 6.66 C ATOM 0 H VAL A 5 -8.873 -8.683 -6.446 1.00 6.47 H new ATOM 0 HA VAL A 5 -6.020 -9.435 -6.662 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.875 -8.557 -8.900 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.963 -9.083 -10.361 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.577 -7.785 -9.206 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.970 -9.434 -8.927 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.584 -10.847 -9.763 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.662 -11.275 -8.302 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.382 -10.836 -8.173 1.00 6.66 H new ATOM 92 N LYS A 6 -5.751 -7.039 -5.876 1.00 4.99 N ATOM 93 CA LYS A 6 -5.418 -5.655 -5.583 1.00 4.54 C ATOM 94 C LYS A 6 -4.384 -5.107 -6.557 1.00 3.66 C ATOM 95 O LYS A 6 -3.587 -5.851 -7.128 1.00 3.73 O ATOM 96 CB LYS A 6 -4.901 -5.532 -4.147 1.00 5.41 C ATOM 97 CG LYS A 6 -4.460 -4.124 -3.771 1.00 5.62 C ATOM 98 CD LYS A 6 -3.962 -4.056 -2.335 1.00 6.25 C ATOM 99 CE LYS A 6 -3.381 -2.688 -2.010 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.894 -2.611 -0.605 1.00 6.86 N ATOM 0 H LYS A 6 -5.290 -7.720 -5.272 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.327 -5.064 -5.694 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.684 -5.853 -3.460 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -4.061 -6.214 -4.014 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.669 -3.798 -4.446 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -5.294 -3.434 -3.900 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.784 -4.275 -1.653 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -3.203 -4.822 -2.175 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.558 -2.472 -2.692 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -4.140 -1.923 -2.174 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -3.078 -1.661 -0.225 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -3.391 -3.318 -0.026 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.872 -2.801 -0.581 1.00 6.86 H new ATOM 114 N THR A 7 -4.423 -3.795 -6.739 1.00 3.27 N ATOM 115 CA THR A 7 -3.496 -3.099 -7.618 1.00 2.97 C ATOM 116 C THR A 7 -2.953 -1.864 -6.906 1.00 3.21 C ATOM 117 O THR A 7 -3.554 -1.385 -5.944 1.00 3.79 O ATOM 118 CB THR A 7 -4.175 -2.679 -8.939 1.00 3.37 C ATOM 119 OG1 THR A 7 -4.842 -3.804 -9.524 1.00 3.78 O ATOM 120 CG2 THR A 7 -3.158 -2.122 -9.926 1.00 3.68 C ATOM 0 H THR A 7 -5.099 -3.183 -6.281 1.00 3.27 H new ATOM 0 HA THR A 7 -2.681 -3.781 -7.861 1.00 2.97 H new ATOM 0 HB THR A 7 -4.901 -1.898 -8.712 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.740 -3.888 -9.140 1.00 3.78 H new ATOM 0 HG21 THR A 7 -3.665 -1.834 -10.847 1.00 3.68 H new ATOM 0 HG22 THR A 7 -2.670 -1.249 -9.492 1.00 3.68 H new ATOM 0 HG23 THR A 7 -2.410 -2.883 -10.146 1.00 3.68 H new ATOM 128 N LEU A 8 -1.820 -1.357 -7.374 1.00 3.26 N ATOM 129 CA LEU A 8 -1.205 -0.182 -6.767 1.00 3.74 C ATOM 130 C LEU A 8 -2.161 1.006 -6.799 1.00 4.78 C ATOM 131 O LEU A 8 -2.222 1.795 -5.856 1.00 5.48 O ATOM 132 CB LEU A 8 0.089 0.183 -7.498 1.00 3.85 C ATOM 133 CG LEU A 8 1.157 -0.912 -7.537 1.00 3.89 C ATOM 134 CD1 LEU A 8 1.421 -1.458 -6.140 1.00 4.36 C ATOM 135 CD2 LEU A 8 0.749 -2.033 -8.484 1.00 4.09 C ATOM 0 H LEU A 8 -1.309 -1.739 -8.170 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.975 -0.422 -5.729 1.00 3.74 H new ATOM 0 HB2 LEU A 8 -0.159 0.460 -8.522 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.517 1.066 -7.023 1.00 3.85 H new ATOM 0 HG LEU A 8 2.081 -0.470 -7.911 1.00 3.89 H new ATOM 0 HD11 LEU A 8 2.183 -2.235 -6.191 1.00 4.36 H new ATOM 0 HD12 LEU A 8 1.768 -0.652 -5.494 1.00 4.36 H new ATOM 0 HD13 LEU A 8 0.501 -1.878 -5.734 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.524 -2.800 -8.495 1.00 4.09 H new ATOM 0 HD22 LEU A 8 -0.190 -2.471 -8.146 1.00 4.09 H new ATOM 0 HD23 LEU A 8 0.621 -1.632 -9.489 1.00 4.09 H new ATOM 147 N THR A 9 -2.906 1.121 -7.896 1.00 5.08 N ATOM 148 CA THR A 9 -3.864 2.206 -8.070 1.00 6.24 C ATOM 149 C THR A 9 -4.944 2.170 -6.990 1.00 6.58 C ATOM 150 O THR A 9 -5.579 3.184 -6.701 1.00 7.61 O ATOM 151 CB THR A 9 -4.534 2.135 -9.459 1.00 6.63 C ATOM 152 OG1 THR A 9 -3.534 2.131 -10.484 1.00 5.90 O ATOM 153 CG2 THR A 9 -5.478 3.311 -9.676 1.00 7.65 C ATOM 0 H THR A 9 -2.863 0.471 -8.681 1.00 5.08 H new ATOM 0 HA THR A 9 -3.309 3.140 -7.986 1.00 6.24 H new ATOM 0 HB THR A 9 -5.114 1.213 -9.506 1.00 6.63 H new ATOM 0 HG1 THR A 9 -3.966 2.084 -11.362 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.935 3.234 -10.663 1.00 7.65 H new ATOM 0 HG22 THR A 9 -6.257 3.298 -8.913 1.00 7.65 H new ATOM 0 HG23 THR A 9 -4.919 4.244 -9.607 1.00 7.65 H new ATOM 161 N GLY A 10 -5.137 0.995 -6.395 1.00 5.95 N ATOM 162 CA GLY A 10 -6.141 0.836 -5.356 1.00 6.60 C ATOM 163 C GLY A 10 -7.403 0.177 -5.877 1.00 6.46 C ATOM 164 O GLY A 10 -8.457 0.247 -5.246 1.00 7.08 O ATOM 0 H GLY A 10 -4.614 0.147 -6.615 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.729 0.237 -4.543 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.388 1.812 -4.939 1.00 6.60 H new ATOM 168 N LYS A 11 -7.285 -0.469 -7.035 1.00 5.81 N ATOM 169 CA LYS A 11 -8.418 -1.140 -7.664 1.00 5.70 C ATOM 170 C LYS A 11 -8.394 -2.642 -7.386 1.00 5.01 C ATOM 171 O LYS A 11 -7.530 -3.362 -7.890 1.00 4.26 O ATOM 172 CB LYS A 11 -8.397 -0.890 -9.173 1.00 5.63 C ATOM 173 CG LYS A 11 -9.581 -1.497 -9.914 1.00 5.81 C ATOM 174 CD LYS A 11 -9.373 -1.473 -11.421 1.00 6.13 C ATOM 175 CE LYS A 11 -9.267 -0.052 -11.958 1.00 6.58 C ATOM 176 NZ LYS A 11 -9.025 -0.035 -13.426 1.00 6.35 N ATOM 0 H LYS A 11 -6.412 -0.541 -7.558 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.335 -0.731 -7.239 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.380 0.185 -9.353 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.474 -1.297 -9.586 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.729 -2.525 -9.583 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.488 -0.947 -9.663 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -8.466 -2.024 -11.671 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -10.202 -1.985 -11.910 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -10.185 0.491 -11.734 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -8.456 0.470 -11.449 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -8.959 0.949 -13.756 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -8.136 -0.532 -13.637 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -9.811 -0.511 -13.913 1.00 6.35 H new ATOM 190 N THR A 12 -9.343 -3.101 -6.576 1.00 5.57 N ATOM 191 CA THR A 12 -9.449 -4.517 -6.241 1.00 5.50 C ATOM 192 C THR A 12 -10.511 -5.181 -7.110 1.00 5.42 C ATOM 193 O THR A 12 -11.634 -4.688 -7.212 1.00 6.02 O ATOM 194 CB THR A 12 -9.801 -4.721 -4.754 1.00 6.58 C ATOM 195 OG1 THR A 12 -8.923 -3.941 -3.933 1.00 6.95 O ATOM 196 CG2 THR A 12 -9.687 -6.190 -4.368 1.00 6.85 C ATOM 0 H THR A 12 -10.051 -2.511 -6.139 1.00 5.57 H new ATOM 0 HA THR A 12 -8.478 -4.976 -6.429 1.00 5.50 H new ATOM 0 HB THR A 12 -10.830 -4.398 -4.599 1.00 6.58 H new ATOM 0 HG1 THR A 12 -9.153 -4.074 -2.990 1.00 6.95 H new ATOM 0 HG21 THR A 12 -9.940 -6.310 -3.315 1.00 6.85 H new ATOM 0 HG22 THR A 12 -10.373 -6.780 -4.975 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.666 -6.533 -4.537 1.00 6.85 H new ATOM 204 N ILE A 13 -10.154 -6.301 -7.734 1.00 4.88 N ATOM 205 CA ILE A 13 -11.079 -7.017 -8.608 1.00 5.00 C ATOM 206 C ILE A 13 -11.345 -8.429 -8.095 1.00 5.65 C ATOM 207 O ILE A 13 -10.457 -9.081 -7.547 1.00 5.97 O ATOM 208 CB ILE A 13 -10.544 -7.098 -10.055 1.00 4.65 C ATOM 209 CG1 ILE A 13 -10.189 -5.703 -10.585 1.00 4.64 C ATOM 210 CG2 ILE A 13 -11.565 -7.766 -10.966 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.807 -5.227 -10.189 1.00 5.04 C ATOM 0 H ILE A 13 -9.233 -6.731 -7.651 1.00 4.88 H new ATOM 0 HA ILE A 13 -12.011 -6.453 -8.606 1.00 5.00 H new ATOM 0 HB ILE A 13 -9.637 -7.702 -10.047 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -10.262 -5.709 -11.673 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -10.927 -4.988 -10.220 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -11.171 -7.814 -11.981 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.768 -8.775 -10.607 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -12.489 -7.188 -10.963 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -8.632 -4.234 -10.602 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -8.734 -5.186 -9.102 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.059 -5.918 -10.577 1.00 5.04 H new ATOM 223 N THR A 14 -12.577 -8.892 -8.283 1.00 6.06 N ATOM 224 CA THR A 14 -12.973 -10.226 -7.849 1.00 6.90 C ATOM 225 C THR A 14 -12.883 -11.221 -9.001 1.00 7.04 C ATOM 226 O THR A 14 -13.290 -10.921 -10.124 1.00 6.70 O ATOM 227 CB THR A 14 -14.407 -10.239 -7.281 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.302 -9.583 -8.190 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.462 -9.554 -5.923 1.00 8.28 C ATOM 0 H THR A 14 -13.321 -8.360 -8.735 1.00 6.06 H new ATOM 0 HA THR A 14 -12.282 -10.519 -7.059 1.00 6.90 H new ATOM 0 HB THR A 14 -14.713 -11.278 -7.157 1.00 7.48 H new ATOM 0 HG1 THR A 14 -16.210 -9.597 -7.822 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.484 -9.577 -5.545 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.806 -10.075 -5.226 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.136 -8.519 -6.024 1.00 8.28 H new ATOM 237 N LEU A 15 -12.341 -12.405 -8.718 1.00 7.82 N ATOM 238 CA LEU A 15 -12.197 -13.448 -9.729 1.00 8.34 C ATOM 239 C LEU A 15 -12.575 -14.809 -9.144 1.00 9.47 C ATOM 240 O LEU A 15 -12.435 -15.031 -7.941 1.00 10.02 O ATOM 241 CB LEU A 15 -10.762 -13.480 -10.267 1.00 8.35 C ATOM 242 CG LEU A 15 -10.490 -14.540 -11.339 1.00 8.95 C ATOM 243 CD1 LEU A 15 -11.388 -14.324 -12.549 1.00 8.50 C ATOM 244 CD2 LEU A 15 -9.025 -14.519 -11.754 1.00 9.28 C ATOM 0 H LEU A 15 -11.994 -12.665 -7.795 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.871 -13.224 -10.556 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.524 -12.500 -10.680 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.082 -13.648 -9.432 1.00 8.35 H new ATOM 0 HG LEU A 15 -10.715 -15.519 -10.915 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -11.179 -15.087 -13.298 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -12.432 -14.392 -12.244 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -11.197 -13.338 -12.972 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -8.852 -15.279 -12.516 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.775 -13.538 -12.157 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -8.398 -14.726 -10.887 1.00 9.28 H new ATOM 256 N GLU A 16 -13.057 -15.713 -9.997 1.00 9.94 N ATOM 257 CA GLU A 16 -13.467 -17.046 -9.554 1.00 11.04 C ATOM 258 C GLU A 16 -12.549 -18.132 -10.121 1.00 11.87 C ATOM 259 O GLU A 16 -12.633 -18.466 -11.303 1.00 12.00 O ATOM 260 CB GLU A 16 -14.917 -17.317 -9.971 1.00 11.14 C ATOM 261 CG GLU A 16 -15.539 -18.538 -9.304 1.00 10.90 C ATOM 262 CD GLU A 16 -14.801 -19.826 -9.622 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.006 -20.371 -10.728 1.00 11.47 O ATOM 264 OE2 GLU A 16 -14.017 -20.289 -8.766 1.00 12.19 O ATOM 0 H GLU A 16 -13.173 -15.547 -10.997 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.391 -17.074 -8.467 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.521 -16.441 -9.736 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -14.954 -17.449 -11.052 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.551 -18.389 -8.224 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -16.577 -18.631 -9.624 1.00 10.90 H new ATOM 271 N VAL A 17 -11.674 -18.680 -9.270 1.00 12.56 N ATOM 272 CA VAL A 17 -10.752 -19.737 -9.694 1.00 13.49 C ATOM 273 C VAL A 17 -10.342 -20.653 -8.538 1.00 14.65 C ATOM 274 O VAL A 17 -9.649 -20.222 -7.614 1.00 14.73 O ATOM 275 CB VAL A 17 -9.471 -19.156 -10.333 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.733 -18.727 -11.766 1.00 12.43 C ATOM 277 CG2 VAL A 17 -8.934 -17.989 -9.514 1.00 12.71 C ATOM 0 H VAL A 17 -11.586 -18.411 -8.290 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.300 -20.322 -10.433 1.00 13.49 H new ATOM 0 HB VAL A 17 -8.714 -19.940 -10.342 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.818 -18.321 -12.197 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.058 -19.588 -12.350 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -10.511 -17.964 -11.781 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.032 -17.598 -9.985 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.687 -17.203 -9.464 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -8.698 -18.330 -8.506 1.00 12.71 H new ATOM 287 N GLU A 18 -10.779 -21.917 -8.585 1.00 15.63 N ATOM 288 CA GLU A 18 -10.440 -22.908 -7.559 1.00 16.83 C ATOM 289 C GLU A 18 -8.929 -23.084 -7.377 1.00 17.34 C ATOM 290 O GLU A 18 -8.131 -22.536 -8.138 1.00 16.99 O ATOM 291 CB GLU A 18 -11.072 -24.256 -7.935 1.00 17.72 C ATOM 292 CG GLU A 18 -12.498 -24.428 -7.439 1.00 17.49 C ATOM 293 CD GLU A 18 -13.402 -23.277 -7.840 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.790 -23.209 -9.026 1.00 16.92 O ATOM 295 OE2 GLU A 18 -13.716 -22.444 -6.969 1.00 18.57 O ATOM 0 H GLU A 18 -11.374 -22.279 -9.330 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.835 -22.544 -6.610 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -11.060 -24.362 -9.020 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.457 -25.060 -7.530 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -12.905 -25.359 -7.834 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.492 -24.518 -6.353 1.00 17.49 H new ATOM 302 N PRO A 19 -8.526 -23.868 -6.350 1.00 18.22 N ATOM 303 CA PRO A 19 -7.114 -24.139 -6.044 1.00 18.80 C ATOM 304 C PRO A 19 -6.405 -24.906 -7.159 1.00 19.40 C ATOM 305 O PRO A 19 -5.235 -24.656 -7.449 1.00 19.49 O ATOM 306 CB PRO A 19 -7.170 -24.987 -4.766 1.00 19.89 C ATOM 307 CG PRO A 19 -8.526 -24.743 -4.204 1.00 19.55 C ATOM 308 CD PRO A 19 -9.418 -24.544 -5.393 1.00 18.79 C ATOM 0 HA PRO A 19 -6.548 -23.214 -5.932 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.018 -26.044 -4.986 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.392 -24.693 -4.062 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -8.859 -25.587 -3.600 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -8.532 -23.866 -3.557 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -9.790 -25.491 -5.784 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.289 -23.935 -5.150 1.00 18.79 H new ATOM 316 N SER A 20 -7.123 -25.839 -7.779 1.00 19.87 N ATOM 317 CA SER A 20 -6.567 -26.653 -8.858 1.00 20.59 C ATOM 318 C SER A 20 -6.191 -25.800 -10.067 1.00 19.81 C ATOM 319 O SER A 20 -5.319 -26.176 -10.852 1.00 20.40 O ATOM 320 CB SER A 20 -7.572 -27.728 -9.276 1.00 21.46 C ATOM 321 OG SER A 20 -7.915 -28.561 -8.183 1.00 21.29 O ATOM 0 H SER A 20 -8.095 -26.051 -7.552 1.00 19.87 H new ATOM 0 HA SER A 20 -5.660 -27.127 -8.483 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.471 -27.255 -9.672 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.149 -28.332 -10.079 1.00 21.46 H new ATOM 0 HG SER A 20 -8.560 -29.238 -8.477 1.00 21.29 H new ATOM 327 N ASP A 21 -6.852 -24.653 -10.213 1.00 18.56 N ATOM 328 CA ASP A 21 -6.589 -23.752 -11.334 1.00 17.80 C ATOM 329 C ASP A 21 -5.121 -23.332 -11.372 1.00 17.76 C ATOM 330 O ASP A 21 -4.474 -23.212 -10.332 1.00 17.65 O ATOM 331 CB ASP A 21 -7.485 -22.514 -11.243 1.00 16.48 C ATOM 332 CG ASP A 21 -7.329 -21.598 -12.444 1.00 16.21 C ATOM 333 OD1 ASP A 21 -7.954 -21.876 -13.489 1.00 16.77 O ATOM 334 OD2 ASP A 21 -6.581 -20.604 -12.340 1.00 15.53 O ATOM 0 H ASP A 21 -7.573 -24.326 -9.570 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.814 -24.289 -12.255 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.526 -22.827 -11.161 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.246 -21.961 -10.334 1.00 16.48 H new ATOM 339 N THR A 22 -4.606 -23.115 -12.580 1.00 17.95 N ATOM 340 CA THR A 22 -3.216 -22.706 -12.761 1.00 18.00 C ATOM 341 C THR A 22 -3.101 -21.187 -12.846 1.00 16.68 C ATOM 342 O THR A 22 -3.982 -20.516 -13.382 1.00 15.89 O ATOM 343 CB THR A 22 -2.607 -23.324 -14.034 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.354 -22.911 -15.184 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.592 -24.844 -13.955 1.00 20.15 C ATOM 0 H THR A 22 -5.131 -23.216 -13.449 1.00 17.95 H new ATOM 0 HA THR A 22 -2.665 -23.066 -11.892 1.00 18.00 H new ATOM 0 HB THR A 22 -1.578 -22.974 -14.119 1.00 18.92 H new ATOM 0 HG1 THR A 22 -4.250 -23.306 -15.151 1.00 19.12 H new ATOM 0 HG21 THR A 22 -2.157 -25.251 -14.867 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.997 -25.158 -13.097 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.612 -25.213 -13.843 1.00 20.15 H new ATOM 353 N ILE A 23 -2.004 -20.657 -12.317 1.00 16.47 N ATOM 354 CA ILE A 23 -1.757 -19.219 -12.318 1.00 15.26 C ATOM 355 C ILE A 23 -1.808 -18.643 -13.732 1.00 15.04 C ATOM 356 O ILE A 23 -2.203 -17.492 -13.923 1.00 14.00 O ATOM 357 CB ILE A 23 -0.399 -18.900 -11.658 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.455 -19.264 -10.168 1.00 15.58 C ATOM 359 CG2 ILE A 23 -0.034 -17.432 -11.840 1.00 14.03 C ATOM 360 CD1 ILE A 23 0.883 -19.647 -9.578 1.00 14.76 C ATOM 0 H ILE A 23 -1.265 -21.207 -11.878 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.550 -18.749 -11.736 1.00 15.26 H new ATOM 0 HB ILE A 23 0.375 -19.495 -12.143 1.00 15.26 H new ATOM 0 HG12 ILE A 23 -0.856 -18.417 -9.612 1.00 15.58 H new ATOM 0 HG13 ILE A 23 -1.151 -20.092 -10.033 1.00 15.58 H new ATOM 0 HG21 ILE A 23 0.927 -17.235 -11.365 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.032 -17.203 -12.904 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.800 -16.807 -11.381 1.00 14.03 H new ATOM 0 HD11 ILE A 23 0.759 -19.890 -8.523 1.00 14.76 H new ATOM 0 HD12 ILE A 23 1.279 -20.515 -10.106 1.00 14.76 H new ATOM 0 HD13 ILE A 23 1.577 -18.813 -9.679 1.00 14.76 H new ATOM 372 N GLU A 24 -1.411 -19.443 -14.719 1.00 16.12 N ATOM 373 CA GLU A 24 -1.440 -19.007 -16.112 1.00 16.23 C ATOM 374 C GLU A 24 -2.875 -18.705 -16.533 1.00 15.75 C ATOM 375 O GLU A 24 -3.131 -17.745 -17.263 1.00 15.19 O ATOM 376 CB GLU A 24 -0.834 -20.079 -17.023 1.00 17.64 C ATOM 377 CG GLU A 24 -1.457 -21.455 -16.846 1.00 17.99 C ATOM 378 CD GLU A 24 -0.711 -22.538 -17.602 1.00 19.37 C ATOM 379 OE1 GLU A 24 0.268 -23.081 -17.047 1.00 19.87 O ATOM 380 OE2 GLU A 24 -1.106 -22.844 -18.747 1.00 19.99 O ATOM 0 H GLU A 24 -1.067 -20.393 -14.580 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.844 -18.099 -16.207 1.00 16.23 H new ATOM 0 HB2 GLU A 24 -0.950 -19.768 -18.061 1.00 17.64 H new ATOM 0 HB3 GLU A 24 0.236 -20.147 -16.828 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -1.477 -21.706 -15.786 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -2.492 -21.427 -17.187 1.00 17.99 H new ATOM 387 N ASN A 25 -3.808 -19.530 -16.059 1.00 16.04 N ATOM 388 CA ASN A 25 -5.221 -19.343 -16.366 1.00 15.65 C ATOM 389 C ASN A 25 -5.747 -18.102 -15.657 1.00 14.26 C ATOM 390 O ASN A 25 -6.517 -17.330 -16.225 1.00 13.66 O ATOM 391 CB ASN A 25 -6.037 -20.568 -15.945 1.00 16.38 C ATOM 392 CG ASN A 25 -5.631 -21.826 -16.690 1.00 16.31 C ATOM 393 OD1 ASN A 25 -5.860 -22.978 -16.069 1.00 16.31 O flip ATOM 394 ND2 ASN A 25 -5.123 -21.765 -17.809 1.00 16.35 N flip ATOM 0 H ASN A 25 -3.609 -20.333 -15.462 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.324 -19.214 -17.443 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.916 -20.730 -14.874 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -7.095 -20.372 -16.120 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -4.965 -20.858 -18.249 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -4.860 -22.621 -18.297 1.00 16.35 H new ATOM 401 N VAL A 26 -5.318 -17.917 -14.407 1.00 13.80 N ATOM 402 CA VAL A 26 -5.729 -16.763 -13.617 1.00 12.52 C ATOM 403 C VAL A 26 -5.430 -15.471 -14.370 1.00 11.74 C ATOM 404 O VAL A 26 -6.295 -14.608 -14.506 1.00 10.85 O ATOM 405 CB VAL A 26 -5.016 -16.725 -12.249 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.446 -15.503 -11.447 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.286 -18.003 -11.468 1.00 13.28 C ATOM 0 H VAL A 26 -4.686 -18.554 -13.923 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.802 -16.854 -13.447 1.00 12.52 H new ATOM 0 HB VAL A 26 -3.943 -16.652 -12.427 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -4.930 -15.498 -10.487 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.193 -14.598 -11.999 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.523 -15.538 -11.280 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.775 -17.957 -10.507 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.358 -18.109 -11.304 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -4.919 -18.859 -12.033 1.00 13.28 H new ATOM 417 N LYS A 27 -4.196 -15.352 -14.864 1.00 12.21 N ATOM 418 CA LYS A 27 -3.777 -14.169 -15.609 1.00 11.77 C ATOM 419 C LYS A 27 -4.653 -13.961 -16.842 1.00 11.96 C ATOM 420 O LYS A 27 -4.975 -12.828 -17.200 1.00 11.29 O ATOM 421 CB LYS A 27 -2.310 -14.282 -16.035 1.00 12.57 C ATOM 422 CG LYS A 27 -1.321 -14.210 -14.881 1.00 12.29 C ATOM 423 CD LYS A 27 0.117 -14.195 -15.384 1.00 13.09 C ATOM 424 CE LYS A 27 1.115 -14.189 -14.236 1.00 12.80 C ATOM 425 NZ LYS A 27 2.524 -14.124 -14.717 1.00 13.67 N ATOM 0 H LYS A 27 -3.471 -16.062 -14.760 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.888 -13.309 -14.948 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.168 -15.225 -16.563 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.086 -13.483 -16.742 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.512 -13.313 -14.291 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.468 -15.064 -14.219 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.291 -15.068 -16.013 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.275 -13.315 -16.008 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.915 -13.337 -13.587 1.00 12.80 H new ATOM 0 HE3 LYS A 27 0.979 -15.087 -13.634 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 3.168 -14.375 -13.940 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 2.653 -14.792 -15.504 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 2.735 -13.159 -15.044 1.00 13.67 H new ATOM 439 N ALA A 28 -5.036 -15.063 -17.487 1.00 12.96 N ATOM 440 CA ALA A 28 -5.875 -15.001 -18.680 1.00 13.31 C ATOM 441 C ALA A 28 -7.262 -14.471 -18.343 1.00 12.36 C ATOM 442 O ALA A 28 -7.851 -13.709 -19.111 1.00 12.18 O ATOM 443 CB ALA A 28 -5.975 -16.372 -19.332 1.00 14.55 C ATOM 0 H ALA A 28 -4.778 -16.008 -17.202 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.410 -14.312 -19.385 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.604 -16.308 -20.220 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -4.980 -16.713 -19.616 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.413 -17.079 -18.627 1.00 14.55 H new ATOM 449 N LYS A 29 -7.779 -14.876 -17.184 1.00 11.88 N ATOM 450 CA LYS A 29 -9.096 -14.438 -16.742 1.00 11.02 C ATOM 451 C LYS A 29 -9.077 -12.947 -16.430 1.00 9.90 C ATOM 452 O LYS A 29 -9.998 -12.216 -16.795 1.00 9.41 O ATOM 453 CB LYS A 29 -9.554 -15.246 -15.530 1.00 10.98 C ATOM 454 CG LYS A 29 -9.820 -16.708 -15.855 1.00 12.12 C ATOM 455 CD LYS A 29 -10.399 -17.455 -14.664 1.00 12.25 C ATOM 456 CE LYS A 29 -10.570 -18.937 -14.965 1.00 13.42 C ATOM 457 NZ LYS A 29 -11.377 -19.168 -16.196 1.00 13.70 N ATOM 0 H LYS A 29 -7.304 -15.506 -16.537 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.810 -14.610 -17.547 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.793 -15.185 -14.752 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.462 -14.799 -15.124 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -10.511 -16.774 -16.696 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -8.891 -17.186 -16.167 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -9.744 -17.331 -13.802 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.363 -17.023 -14.396 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -9.589 -19.398 -15.083 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -11.053 -19.425 -14.118 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -11.627 -20.175 -16.263 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -12.246 -18.598 -16.154 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -10.822 -18.892 -17.031 1.00 13.70 H new ATOM 471 N ILE A 30 -8.021 -12.503 -15.749 1.00 9.57 N ATOM 472 CA ILE A 30 -7.872 -11.093 -15.417 1.00 8.57 C ATOM 473 C ILE A 30 -7.784 -10.268 -16.697 1.00 8.97 C ATOM 474 O ILE A 30 -8.299 -9.155 -16.768 1.00 8.49 O ATOM 475 CB ILE A 30 -6.618 -10.839 -14.551 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.698 -11.642 -13.248 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.470 -9.351 -14.249 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.425 -11.603 -12.429 1.00 8.06 C ATOM 0 H ILE A 30 -7.261 -13.099 -15.419 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.746 -10.793 -14.839 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.741 -11.167 -15.109 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.520 -11.257 -12.644 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.935 -12.679 -13.485 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.582 -9.190 -13.638 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.373 -8.798 -15.183 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.350 -9.000 -13.709 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.557 -12.193 -11.522 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.603 -12.016 -13.014 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.197 -10.572 -12.160 1.00 8.06 H new ATOM 490 N GLN A 31 -7.122 -10.830 -17.707 1.00 10.07 N ATOM 491 CA GLN A 31 -6.973 -10.166 -18.999 1.00 10.78 C ATOM 492 C GLN A 31 -8.318 -10.042 -19.714 1.00 10.96 C ATOM 493 O GLN A 31 -8.530 -9.116 -20.492 1.00 11.22 O ATOM 494 CB GLN A 31 -5.987 -10.938 -19.881 1.00 12.02 C ATOM 495 CG GLN A 31 -5.746 -10.291 -21.239 1.00 12.96 C ATOM 496 CD GLN A 31 -4.871 -11.133 -22.148 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.884 -12.363 -22.080 1.00 14.59 O ATOM 498 NE2 GLN A 31 -4.105 -10.472 -23.009 1.00 15.04 N ATOM 0 H GLN A 31 -6.679 -11.747 -17.654 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.586 -9.163 -18.817 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -5.036 -11.026 -19.356 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.363 -11.950 -20.032 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.705 -10.115 -21.727 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -5.279 -9.317 -21.094 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -4.125 -9.452 -23.031 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -3.496 -10.984 -23.648 1.00 15.04 H new ATOM 507 N ASP A 32 -9.223 -10.978 -19.452 1.00 10.94 N ATOM 508 CA ASP A 32 -10.539 -10.962 -20.085 1.00 11.14 C ATOM 509 C ASP A 32 -11.392 -9.813 -19.552 1.00 10.25 C ATOM 510 O ASP A 32 -12.140 -9.186 -20.303 1.00 10.60 O ATOM 511 CB ASP A 32 -11.261 -12.294 -19.865 1.00 11.35 C ATOM 512 CG ASP A 32 -10.492 -13.476 -20.430 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.837 -13.314 -21.482 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.544 -14.563 -19.819 1.00 12.47 O ATOM 0 H ASP A 32 -9.072 -11.755 -18.809 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.390 -10.814 -21.155 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.419 -12.445 -18.797 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -12.246 -12.250 -20.330 1.00 11.35 H new ATOM 519 N LYS A 33 -11.270 -9.541 -18.257 1.00 9.23 N ATOM 520 CA LYS A 33 -12.038 -8.475 -17.621 1.00 8.49 C ATOM 521 C LYS A 33 -11.305 -7.131 -17.665 1.00 8.32 C ATOM 522 O LYS A 33 -11.836 -6.146 -18.180 1.00 8.52 O ATOM 523 CB LYS A 33 -12.346 -8.851 -16.170 1.00 7.63 C ATOM 524 CG LYS A 33 -13.148 -7.797 -15.421 1.00 7.20 C ATOM 525 CD LYS A 33 -13.500 -8.258 -14.014 1.00 6.55 C ATOM 526 CE LYS A 33 -14.208 -7.165 -13.227 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.455 -6.710 -13.902 1.00 6.67 N ATOM 0 H LYS A 33 -10.646 -10.044 -17.626 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.967 -8.361 -18.180 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -12.897 -9.791 -16.157 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -11.408 -9.024 -15.642 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -12.575 -6.871 -15.369 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -14.062 -7.575 -15.971 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -14.139 -9.140 -14.069 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -12.592 -8.554 -13.490 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.449 -7.534 -12.230 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -13.535 -6.317 -13.098 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -15.992 -6.093 -13.260 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -15.210 -6.182 -14.764 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -16.034 -7.536 -14.154 1.00 6.67 H new ATOM 541 N GLU A 34 -10.085 -7.095 -17.128 1.00 8.14 N ATOM 542 CA GLU A 34 -9.296 -5.862 -17.075 1.00 8.06 C ATOM 543 C GLU A 34 -8.539 -5.576 -18.376 1.00 9.21 C ATOM 544 O GLU A 34 -7.977 -4.491 -18.535 1.00 9.60 O ATOM 545 CB GLU A 34 -8.302 -5.929 -15.912 1.00 7.25 C ATOM 546 CG GLU A 34 -8.955 -6.157 -14.556 1.00 6.20 C ATOM 547 CD GLU A 34 -9.878 -5.022 -14.151 1.00 6.09 C ATOM 548 OE1 GLU A 34 -9.382 -4.032 -13.571 1.00 6.20 O ATOM 549 OE2 GLU A 34 -11.094 -5.122 -14.413 1.00 6.14 O ATOM 0 H GLU A 34 -9.620 -7.907 -16.722 1.00 8.14 H new ATOM 0 HA GLU A 34 -10.003 -5.045 -16.928 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.590 -6.732 -16.101 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.733 -5.000 -15.879 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.521 -7.088 -14.582 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.179 -6.276 -13.799 1.00 6.20 H new ATOM 556 N GLY A 35 -8.519 -6.532 -19.299 1.00 9.92 N ATOM 557 CA GLY A 35 -7.812 -6.328 -20.559 1.00 11.11 C ATOM 558 C GLY A 35 -6.317 -6.119 -20.380 1.00 11.26 C ATOM 559 O GLY A 35 -5.671 -5.501 -21.228 1.00 12.20 O ATOM 0 H GLY A 35 -8.975 -7.439 -19.203 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -7.977 -7.191 -21.204 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -8.235 -5.463 -21.069 1.00 11.11 H new ATOM 563 N ILE A 36 -5.766 -6.633 -19.281 1.00 10.40 N ATOM 564 CA ILE A 36 -4.337 -6.496 -19.002 1.00 10.49 C ATOM 565 C ILE A 36 -3.576 -7.750 -19.434 1.00 11.27 C ATOM 566 O ILE A 36 -3.807 -8.836 -18.899 1.00 11.07 O ATOM 567 CB ILE A 36 -4.077 -6.235 -17.502 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.904 -5.038 -17.019 1.00 8.55 C ATOM 569 CG2 ILE A 36 -2.592 -5.997 -17.253 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.722 -4.721 -15.549 1.00 7.28 C ATOM 0 H ILE A 36 -6.286 -7.147 -18.570 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.979 -5.640 -19.574 1.00 10.49 H new ATOM 0 HB ILE A 36 -4.382 -7.116 -16.937 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -4.633 -4.161 -17.606 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -5.959 -5.236 -17.210 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -2.426 -5.815 -16.191 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -2.026 -6.875 -17.563 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -2.261 -5.131 -17.826 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -5.339 -3.863 -15.283 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -5.021 -5.582 -14.951 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -3.675 -4.490 -15.354 1.00 7.28 H new ATOM 582 N PRO A 37 -2.657 -7.618 -20.414 1.00 12.32 N ATOM 583 CA PRO A 37 -1.866 -8.748 -20.917 1.00 13.26 C ATOM 584 C PRO A 37 -1.133 -9.490 -19.800 1.00 12.81 C ATOM 585 O PRO A 37 -0.579 -8.867 -18.895 1.00 12.09 O ATOM 586 CB PRO A 37 -0.860 -8.091 -21.867 1.00 14.23 C ATOM 587 CG PRO A 37 -1.506 -6.816 -22.283 1.00 14.14 C ATOM 588 CD PRO A 37 -2.320 -6.358 -21.104 1.00 12.79 C ATOM 0 HA PRO A 37 -2.495 -9.499 -21.394 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.092 -7.908 -21.369 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -0.653 -8.728 -22.727 1.00 14.23 H new ATOM 0 HG2 PRO A 37 -0.758 -6.070 -22.554 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -2.138 -6.967 -23.158 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.753 -5.686 -20.460 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -3.214 -5.819 -21.417 1.00 12.79 H new ATOM 596 N PRO A 38 -1.112 -10.835 -19.859 1.00 13.33 N ATOM 597 CA PRO A 38 -0.445 -11.661 -18.844 1.00 13.21 C ATOM 598 C PRO A 38 1.067 -11.463 -18.843 1.00 13.55 C ATOM 599 O PRO A 38 1.737 -11.720 -17.841 1.00 13.14 O ATOM 600 CB PRO A 38 -0.800 -13.093 -19.258 1.00 14.22 C ATOM 601 CG PRO A 38 -1.089 -13.002 -20.715 1.00 14.34 C ATOM 602 CD PRO A 38 -1.723 -11.656 -20.921 1.00 14.21 C ATOM 0 HA PRO A 38 -0.766 -11.406 -17.834 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.024 -13.779 -19.059 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.663 -13.463 -18.705 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -0.176 -13.098 -21.302 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.758 -13.802 -21.032 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.510 -11.257 -21.913 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.808 -11.701 -20.822 1.00 14.21 H new ATOM 610 N ASP A 39 1.596 -11.000 -19.973 1.00 14.37 N ATOM 611 CA ASP A 39 3.029 -10.762 -20.116 1.00 14.81 C ATOM 612 C ASP A 39 3.495 -9.623 -19.213 1.00 13.75 C ATOM 613 O ASP A 39 4.665 -9.561 -18.834 1.00 13.74 O ATOM 614 CB ASP A 39 3.369 -10.446 -21.574 1.00 15.96 C ATOM 615 CG ASP A 39 2.976 -11.569 -22.515 1.00 16.45 C ATOM 616 OD1 ASP A 39 1.788 -11.637 -22.895 1.00 16.96 O ATOM 617 OD2 ASP A 39 3.855 -12.382 -22.869 1.00 16.42 O ATOM 0 H ASP A 39 1.050 -10.781 -20.806 1.00 14.37 H new ATOM 0 HA ASP A 39 3.551 -11.670 -19.813 1.00 14.81 H new ATOM 0 HB2 ASP A 39 2.860 -9.530 -21.873 1.00 15.96 H new ATOM 0 HB3 ASP A 39 4.439 -10.259 -21.663 1.00 15.96 H new ATOM 622 N GLN A 40 2.574 -8.722 -18.874 1.00 12.90 N ATOM 623 CA GLN A 40 2.893 -7.580 -18.018 1.00 11.90 C ATOM 624 C GLN A 40 2.309 -7.748 -16.617 1.00 10.64 C ATOM 625 O GLN A 40 2.564 -6.930 -15.731 1.00 9.67 O ATOM 626 CB GLN A 40 2.366 -6.287 -18.647 1.00 11.91 C ATOM 627 CG GLN A 40 2.971 -5.977 -20.008 1.00 13.23 C ATOM 628 CD GLN A 40 4.470 -5.753 -19.944 1.00 13.45 C ATOM 629 OE1 GLN A 40 4.934 -4.625 -19.772 1.00 14.45 O ATOM 630 NE2 GLN A 40 5.237 -6.829 -20.080 1.00 12.63 N ATOM 0 H GLN A 40 1.601 -8.761 -19.179 1.00 12.90 H new ATOM 0 HA GLN A 40 3.978 -7.526 -17.928 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.283 -6.358 -18.749 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.569 -5.456 -17.971 1.00 11.91 H new ATOM 0 HG2 GLN A 40 2.759 -6.800 -20.691 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.492 -5.089 -20.420 1.00 13.23 H new ATOM 0 HE21 GLN A 40 4.811 -7.745 -20.221 1.00 12.63 H new ATOM 0 HE22 GLN A 40 6.252 -6.739 -20.044 1.00 12.63 H new ATOM 639 N GLN A 41 1.527 -8.808 -16.415 1.00 10.76 N ATOM 640 CA GLN A 41 0.907 -9.065 -15.117 1.00 9.79 C ATOM 641 C GLN A 41 1.805 -9.902 -14.213 1.00 9.92 C ATOM 642 O GLN A 41 2.272 -10.974 -14.601 1.00 10.91 O ATOM 643 CB GLN A 41 -0.437 -9.779 -15.291 1.00 9.99 C ATOM 644 CG GLN A 41 -1.557 -8.880 -15.789 1.00 9.70 C ATOM 645 CD GLN A 41 -2.908 -9.575 -15.795 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.944 -8.937 -15.622 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.903 -10.889 -15.994 1.00 10.21 N ATOM 0 H GLN A 41 1.309 -9.500 -17.132 1.00 10.76 H new ATOM 0 HA GLN A 41 0.750 -8.095 -14.645 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.310 -10.605 -15.991 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.732 -10.214 -14.336 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.612 -7.992 -15.159 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.323 -8.540 -16.798 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.020 -11.380 -16.134 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.782 -11.406 -16.007 1.00 10.21 H new ATOM 656 N ARG A 42 2.040 -9.396 -13.003 1.00 9.04 N ATOM 657 CA ARG A 42 2.847 -10.099 -12.010 1.00 9.21 C ATOM 658 C ARG A 42 2.035 -10.245 -10.730 1.00 8.55 C ATOM 659 O ARG A 42 1.601 -9.254 -10.146 1.00 7.55 O ATOM 660 CB ARG A 42 4.161 -9.359 -11.726 1.00 8.92 C ATOM 661 CG ARG A 42 5.223 -10.230 -11.068 1.00 9.32 C ATOM 662 CD ARG A 42 5.686 -11.349 -11.990 1.00 8.97 C ATOM 663 NE ARG A 42 6.682 -12.204 -11.351 1.00 9.07 N ATOM 664 CZ ARG A 42 7.435 -13.083 -12.006 1.00 8.61 C ATOM 665 NH1 ARG A 42 7.305 -13.225 -13.319 1.00 8.06 N ATOM 666 NH2 ARG A 42 8.319 -13.822 -11.350 1.00 8.89 N ATOM 0 H ARG A 42 1.680 -8.496 -12.687 1.00 9.04 H new ATOM 0 HA ARG A 42 3.107 -11.082 -12.401 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.556 -8.965 -12.662 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.955 -8.504 -11.082 1.00 8.92 H new ATOM 0 HG2 ARG A 42 6.077 -9.613 -10.788 1.00 9.32 H new ATOM 0 HG3 ARG A 42 4.824 -10.658 -10.149 1.00 9.32 H new ATOM 0 HD2 ARG A 42 4.828 -11.952 -12.289 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.106 -10.920 -12.900 1.00 8.97 H new ATOM 0 HE ARG A 42 6.808 -12.122 -10.342 1.00 9.07 H new ATOM 0 HH11 ARG A 42 6.626 -12.659 -13.828 1.00 8.06 H new ATOM 0 HH12 ARG A 42 7.884 -13.900 -13.819 1.00 8.06 H new ATOM 0 HH21 ARG A 42 8.423 -13.717 -10.341 1.00 8.89 H new ATOM 0 HH22 ARG A 42 8.895 -14.495 -11.855 1.00 8.89 H new ATOM 680 N LEU A 43 1.838 -11.485 -10.295 1.00 9.27 N ATOM 681 CA LEU A 43 1.050 -11.757 -9.097 1.00 9.04 C ATOM 682 C LEU A 43 1.946 -12.078 -7.911 1.00 9.51 C ATOM 683 O LEU A 43 2.804 -12.956 -7.988 1.00 10.56 O ATOM 684 CB LEU A 43 0.079 -12.916 -9.345 1.00 9.79 C ATOM 685 CG LEU A 43 -1.161 -12.571 -10.179 1.00 9.27 C ATOM 686 CD1 LEU A 43 -0.766 -12.153 -11.588 1.00 10.24 C ATOM 687 CD2 LEU A 43 -2.122 -13.750 -10.221 1.00 8.15 C ATOM 0 H LEU A 43 2.212 -12.316 -10.753 1.00 9.27 H new ATOM 0 HA LEU A 43 0.480 -10.858 -8.864 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.620 -13.719 -9.845 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.249 -13.305 -8.381 1.00 9.79 H new ATOM 0 HG LEU A 43 -1.667 -11.730 -9.704 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -1.662 -11.913 -12.161 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.120 -11.276 -11.540 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -0.233 -12.970 -12.074 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.996 -13.486 -10.817 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -1.624 -14.610 -10.668 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -2.436 -14.000 -9.208 1.00 8.15 H new ATOM 699 N ILE A 44 1.742 -11.353 -6.817 1.00 8.83 N ATOM 700 CA ILE A 44 2.518 -11.558 -5.603 1.00 9.35 C ATOM 701 C ILE A 44 1.632 -12.112 -4.493 1.00 9.75 C ATOM 702 O ILE A 44 0.558 -11.574 -4.213 1.00 9.11 O ATOM 703 CB ILE A 44 3.187 -10.251 -5.116 1.00 8.53 C ATOM 704 CG1 ILE A 44 4.148 -9.700 -6.177 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.927 -10.488 -3.805 1.00 9.24 C ATOM 706 CD1 ILE A 44 3.458 -9.031 -7.347 1.00 9.33 C ATOM 0 H ILE A 44 1.042 -10.615 -6.748 1.00 8.83 H new ATOM 0 HA ILE A 44 3.303 -12.275 -5.843 1.00 9.35 H new ATOM 0 HB ILE A 44 2.404 -9.512 -4.947 1.00 8.53 H new ATOM 0 HG12 ILE A 44 4.820 -8.982 -5.706 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.766 -10.516 -6.551 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.392 -9.558 -3.476 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.223 -10.830 -3.046 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.696 -11.246 -3.953 1.00 9.24 H new ATOM 0 HD11 ILE A 44 4.206 -8.669 -8.052 1.00 9.33 H new ATOM 0 HD12 ILE A 44 2.808 -9.750 -7.845 1.00 9.33 H new ATOM 0 HD13 ILE A 44 2.863 -8.192 -6.987 1.00 9.33 H new ATOM 718 N PHE A 45 2.091 -13.189 -3.868 1.00 10.94 N ATOM 719 CA PHE A 45 1.352 -13.829 -2.787 1.00 11.61 C ATOM 720 C PHE A 45 2.313 -14.433 -1.771 1.00 12.55 C ATOM 721 O PHE A 45 3.178 -15.235 -2.125 1.00 13.34 O ATOM 722 CB PHE A 45 0.424 -14.914 -3.338 1.00 12.32 C ATOM 723 CG PHE A 45 -0.499 -15.496 -2.302 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.589 -14.775 -1.844 1.00 12.72 C ATOM 725 CD2 PHE A 45 -0.276 -16.766 -1.790 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.442 -15.307 -0.895 1.00 13.62 C ATOM 727 CE2 PHE A 45 -1.125 -17.303 -0.840 1.00 15.27 C ATOM 728 CZ PHE A 45 -2.209 -16.572 -0.391 1.00 14.88 C ATOM 0 H PHE A 45 2.978 -13.640 -4.093 1.00 10.94 H new ATOM 0 HA PHE A 45 0.747 -13.070 -2.292 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.171 -14.495 -4.149 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.028 -15.714 -3.766 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.775 -13.785 -2.233 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.570 -17.341 -2.137 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.289 -14.734 -0.548 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.941 -18.293 -0.449 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.872 -16.989 0.352 1.00 14.88 H new ATOM 738 N ALA A 46 2.157 -14.032 -0.513 1.00 12.55 N ATOM 739 CA ALA A 46 3.004 -14.524 0.570 1.00 13.48 C ATOM 740 C ALA A 46 4.441 -14.029 0.424 1.00 13.42 C ATOM 741 O ALA A 46 5.360 -14.574 1.039 1.00 14.38 O ATOM 742 CB ALA A 46 2.965 -16.046 0.630 1.00 14.76 C ATOM 0 H ALA A 46 1.447 -13.363 -0.216 1.00 12.55 H new ATOM 0 HA ALA A 46 2.610 -14.128 1.506 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.602 -16.395 1.443 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.941 -16.377 0.804 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.324 -16.457 -0.314 1.00 14.76 H new ATOM 748 N GLY A 47 4.625 -12.991 -0.387 1.00 12.34 N ATOM 749 CA GLY A 47 5.951 -12.436 -0.595 1.00 12.25 C ATOM 750 C GLY A 47 6.676 -13.080 -1.762 1.00 12.73 C ATOM 751 O GLY A 47 7.787 -12.676 -2.105 1.00 12.99 O ATOM 0 H GLY A 47 3.880 -12.524 -0.904 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.869 -11.363 -0.770 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.542 -12.566 0.312 1.00 12.25 H new ATOM 755 N LYS A 48 6.047 -14.086 -2.367 1.00 12.95 N ATOM 756 CA LYS A 48 6.635 -14.795 -3.503 1.00 13.60 C ATOM 757 C LYS A 48 5.835 -14.542 -4.779 1.00 12.95 C ATOM 758 O LYS A 48 4.626 -14.327 -4.731 1.00 12.25 O ATOM 759 CB LYS A 48 6.695 -16.302 -3.223 1.00 14.88 C ATOM 760 CG LYS A 48 7.712 -16.703 -2.161 1.00 15.77 C ATOM 761 CD LYS A 48 7.345 -16.162 -0.786 1.00 16.95 C ATOM 762 CE LYS A 48 8.145 -16.843 0.314 1.00 16.96 C ATOM 763 NZ LYS A 48 7.920 -16.204 1.640 1.00 17.08 N ATOM 0 H LYS A 48 5.128 -14.429 -2.089 1.00 12.95 H new ATOM 0 HA LYS A 48 7.647 -14.416 -3.644 1.00 13.60 H new ATOM 0 HB2 LYS A 48 5.708 -16.641 -2.910 1.00 14.88 H new ATOM 0 HB3 LYS A 48 6.932 -16.823 -4.151 1.00 14.88 H new ATOM 0 HG2 LYS A 48 7.780 -17.790 -2.116 1.00 15.77 H new ATOM 0 HG3 LYS A 48 8.697 -16.333 -2.445 1.00 15.77 H new ATOM 0 HD2 LYS A 48 7.526 -15.088 -0.757 1.00 16.95 H new ATOM 0 HD3 LYS A 48 6.280 -16.311 -0.608 1.00 16.95 H new ATOM 0 HE2 LYS A 48 7.867 -17.896 0.366 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.206 -16.805 0.068 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 7.790 -16.940 2.363 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 8.743 -15.618 1.887 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 7.070 -15.606 1.598 1.00 17.08 H new ATOM 777 N GLN A 49 6.521 -14.579 -5.919 1.00 13.28 N ATOM 778 CA GLN A 49 5.877 -14.360 -7.211 1.00 12.91 C ATOM 779 C GLN A 49 5.238 -15.650 -7.715 1.00 13.82 C ATOM 780 O GLN A 49 5.905 -16.681 -7.824 1.00 14.97 O ATOM 781 CB GLN A 49 6.899 -13.845 -8.230 1.00 13.03 C ATOM 782 CG GLN A 49 7.702 -12.651 -7.735 1.00 12.43 C ATOM 783 CD GLN A 49 8.728 -12.171 -8.744 1.00 12.64 C ATOM 784 OE1 GLN A 49 8.439 -11.321 -9.584 1.00 12.65 O ATOM 785 NE2 GLN A 49 9.936 -12.715 -8.662 1.00 12.96 N ATOM 0 H GLN A 49 7.524 -14.759 -5.974 1.00 13.28 H new ATOM 0 HA GLN A 49 5.095 -13.611 -7.085 1.00 12.91 H new ATOM 0 HB2 GLN A 49 7.585 -14.653 -8.485 1.00 13.03 H new ATOM 0 HB3 GLN A 49 6.378 -13.568 -9.146 1.00 13.03 H new ATOM 0 HG2 GLN A 49 7.021 -11.833 -7.500 1.00 12.43 H new ATOM 0 HG3 GLN A 49 8.209 -12.919 -6.808 1.00 12.43 H new ATOM 0 HE21 GLN A 49 10.132 -13.417 -7.949 1.00 12.96 H new ATOM 0 HE22 GLN A 49 10.669 -12.431 -9.312 1.00 12.96 H new ATOM 794 N LEU A 50 3.943 -15.593 -8.017 1.00 13.33 N ATOM 795 CA LEU A 50 3.214 -16.759 -8.503 1.00 14.13 C ATOM 796 C LEU A 50 3.744 -17.212 -9.861 1.00 14.81 C ATOM 797 O LEU A 50 3.918 -16.402 -10.771 1.00 14.27 O ATOM 798 CB LEU A 50 1.717 -16.443 -8.599 1.00 13.38 C ATOM 799 CG LEU A 50 1.036 -16.085 -7.272 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.470 -15.969 -7.457 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.361 -17.123 -6.206 1.00 13.76 C ATOM 0 H LEU A 50 3.377 -14.749 -7.933 1.00 13.33 H new ATOM 0 HA LEU A 50 3.363 -17.572 -7.793 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.581 -15.614 -9.293 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.207 -17.305 -9.029 1.00 13.38 H new ATOM 0 HG LEU A 50 1.419 -15.119 -6.942 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.935 -15.715 -6.505 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.688 -15.189 -8.187 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.867 -16.920 -7.812 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.869 -16.852 -5.272 1.00 13.76 H new ATOM 0 HD22 LEU A 50 1.008 -18.102 -6.531 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.439 -17.160 -6.051 1.00 13.76 H new ATOM 813 N GLU A 51 4.001 -18.514 -9.983 1.00 16.07 N ATOM 814 CA GLU A 51 4.511 -19.083 -11.227 1.00 16.92 C ATOM 815 C GLU A 51 3.366 -19.524 -12.134 1.00 17.12 C ATOM 816 O GLU A 51 2.480 -20.264 -11.719 1.00 17.35 O ATOM 817 CB GLU A 51 5.437 -20.267 -10.934 1.00 18.22 C ATOM 818 CG GLU A 51 5.908 -21.002 -12.183 1.00 19.07 C ATOM 819 CD GLU A 51 6.536 -20.075 -13.208 1.00 20.22 C ATOM 820 OE1 GLU A 51 7.677 -19.622 -12.979 1.00 21.00 O ATOM 821 OE2 GLU A 51 5.887 -19.805 -14.241 1.00 20.40 O ATOM 0 H GLU A 51 3.864 -19.193 -9.235 1.00 16.07 H new ATOM 0 HA GLU A 51 5.080 -18.310 -11.743 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.307 -19.908 -10.385 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.917 -20.971 -10.284 1.00 18.22 H new ATOM 0 HG2 GLU A 51 6.632 -21.766 -11.899 1.00 19.07 H new ATOM 0 HG3 GLU A 51 5.062 -21.518 -12.636 1.00 19.07 H new ATOM 828 N ASP A 52 3.400 -19.049 -13.372 1.00 17.11 N ATOM 829 CA ASP A 52 2.377 -19.374 -14.364 1.00 17.32 C ATOM 830 C ASP A 52 2.099 -20.879 -14.441 1.00 18.50 C ATOM 831 O ASP A 52 0.945 -21.297 -14.541 1.00 18.49 O ATOM 832 CB ASP A 52 2.803 -18.862 -15.741 1.00 17.56 C ATOM 833 CG ASP A 52 3.000 -17.358 -15.765 1.00 16.47 C ATOM 834 OD1 ASP A 52 4.032 -16.885 -15.243 1.00 15.96 O ATOM 835 OD2 ASP A 52 2.120 -16.654 -16.303 1.00 16.20 O ATOM 0 H ASP A 52 4.133 -18.430 -13.718 1.00 17.11 H new ATOM 0 HA ASP A 52 1.456 -18.883 -14.050 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.731 -19.352 -16.036 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.048 -19.138 -16.477 1.00 17.56 H new ATOM 840 N GLY A 53 3.158 -21.686 -14.386 1.00 19.52 N ATOM 841 CA GLY A 53 3.005 -23.132 -14.482 1.00 20.72 C ATOM 842 C GLY A 53 2.566 -23.801 -13.186 1.00 20.81 C ATOM 843 O GLY A 53 2.400 -25.020 -13.144 1.00 21.79 O ATOM 0 H GLY A 53 4.120 -21.365 -14.277 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.275 -23.358 -15.260 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.953 -23.566 -14.799 1.00 20.72 H new ATOM 847 N ARG A 54 2.377 -23.012 -12.132 1.00 19.86 N ATOM 848 CA ARG A 54 1.952 -23.545 -10.837 1.00 20.02 C ATOM 849 C ARG A 54 0.453 -23.350 -10.632 1.00 19.36 C ATOM 850 O ARG A 54 -0.214 -22.717 -11.448 1.00 18.53 O ATOM 851 CB ARG A 54 2.727 -22.873 -9.698 1.00 19.57 C ATOM 852 CG ARG A 54 3.848 -23.728 -9.128 1.00 20.34 C ATOM 853 CD ARG A 54 4.894 -24.065 -10.180 1.00 21.73 C ATOM 854 NE ARG A 54 5.963 -24.902 -9.634 1.00 22.50 N ATOM 855 CZ ARG A 54 7.247 -24.547 -9.601 1.00 23.45 C ATOM 856 NH1 ARG A 54 7.634 -23.374 -10.083 1.00 23.75 N ATOM 857 NH2 ARG A 54 8.146 -25.370 -9.079 1.00 24.16 N ATOM 0 H ARG A 54 2.511 -22.001 -12.147 1.00 19.86 H new ATOM 0 HA ARG A 54 2.166 -24.614 -10.828 1.00 20.02 H new ATOM 0 HB2 ARG A 54 3.147 -21.935 -10.061 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.032 -22.622 -8.897 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.322 -23.201 -8.300 1.00 20.34 H new ATOM 0 HG3 ARG A 54 3.431 -24.650 -8.722 1.00 20.34 H new ATOM 0 HD2 ARG A 54 4.418 -24.581 -11.014 1.00 21.73 H new ATOM 0 HD3 ARG A 54 5.320 -23.144 -10.577 1.00 21.73 H new ATOM 0 HE ARG A 54 5.709 -25.814 -9.255 1.00 22.50 H new ATOM 0 HH11 ARG A 54 6.947 -22.735 -10.483 1.00 23.75 H new ATOM 0 HH12 ARG A 54 8.619 -23.110 -10.054 1.00 23.75 H new ATOM 0 HH21 ARG A 54 7.854 -26.273 -8.704 1.00 24.16 H new ATOM 0 HH22 ARG A 54 9.129 -25.101 -9.053 1.00 24.16 H new ATOM 871 N THR A 55 -0.070 -23.909 -9.540 1.00 19.79 N ATOM 872 CA THR A 55 -1.491 -23.798 -9.219 1.00 19.31 C ATOM 873 C THR A 55 -1.697 -23.092 -7.883 1.00 18.56 C ATOM 874 O THR A 55 -0.788 -23.029 -7.057 1.00 18.57 O ATOM 875 CB THR A 55 -2.163 -25.183 -9.158 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.504 -26.006 -8.187 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.127 -25.864 -10.518 1.00 21.11 C ATOM 0 H THR A 55 0.472 -24.444 -8.862 1.00 19.79 H new ATOM 0 HA THR A 55 -1.950 -23.212 -10.015 1.00 19.31 H new ATOM 0 HB THR A 55 -3.204 -25.044 -8.868 1.00 20.43 H new ATOM 0 HG1 THR A 55 -2.119 -26.196 -7.448 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.607 -26.840 -10.449 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.656 -25.250 -11.247 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.092 -25.991 -10.834 1.00 21.11 H new ATOM 885 N LEU A 56 -2.890 -22.537 -7.690 1.00 17.96 N ATOM 886 CA LEU A 56 -3.229 -21.844 -6.450 1.00 17.35 C ATOM 887 C LEU A 56 -2.962 -22.715 -5.220 1.00 18.41 C ATOM 888 O LEU A 56 -2.665 -22.200 -4.142 1.00 18.24 O ATOM 889 CB LEU A 56 -4.695 -21.400 -6.479 1.00 16.66 C ATOM 890 CG LEU A 56 -4.999 -20.197 -7.379 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.843 -20.567 -8.847 1.00 14.99 C ATOM 892 CD2 LEU A 56 -6.398 -19.665 -7.107 1.00 14.57 C ATOM 0 H LEU A 56 -3.641 -22.554 -8.380 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.588 -20.966 -6.375 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.306 -22.241 -6.807 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.004 -21.159 -5.462 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.281 -19.410 -7.149 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -5.064 -19.698 -9.467 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -3.820 -20.895 -9.033 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -5.533 -21.374 -9.094 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -6.595 -18.811 -7.755 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -7.130 -20.448 -7.305 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -6.473 -19.354 -6.065 1.00 14.57 H new ATOM 904 N SER A 57 -3.060 -24.033 -5.387 1.00 19.54 N ATOM 905 CA SER A 57 -2.826 -24.967 -4.283 1.00 20.67 C ATOM 906 C SER A 57 -1.340 -25.050 -3.938 1.00 21.10 C ATOM 907 O SER A 57 -0.972 -25.440 -2.829 1.00 21.74 O ATOM 908 CB SER A 57 -3.361 -26.355 -4.643 1.00 21.76 C ATOM 909 OG SER A 57 -2.754 -26.846 -5.825 1.00 21.61 O ATOM 0 H SER A 57 -3.299 -24.479 -6.273 1.00 19.54 H new ATOM 0 HA SER A 57 -3.358 -24.595 -3.407 1.00 20.67 H new ATOM 0 HB2 SER A 57 -3.173 -27.045 -3.820 1.00 21.76 H new ATOM 0 HB3 SER A 57 -4.442 -26.308 -4.778 1.00 21.76 H new ATOM 0 HG SER A 57 -3.112 -27.734 -6.032 1.00 21.61 H new ATOM 915 N ASP A 58 -0.493 -24.678 -4.895 1.00 20.79 N ATOM 916 CA ASP A 58 0.954 -24.707 -4.703 1.00 21.19 C ATOM 917 C ASP A 58 1.387 -23.682 -3.656 1.00 20.53 C ATOM 918 O ASP A 58 2.231 -23.971 -2.806 1.00 21.09 O ATOM 919 CB ASP A 58 1.673 -24.429 -6.027 1.00 20.98 C ATOM 920 CG ASP A 58 3.183 -24.451 -5.883 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.768 -25.554 -5.922 1.00 21.87 O ATOM 922 OD2 ASP A 58 3.781 -23.364 -5.733 1.00 23.14 O ATOM 0 H ASP A 58 -0.786 -24.351 -5.816 1.00 20.79 H new ATOM 0 HA ASP A 58 1.226 -25.701 -4.349 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.371 -25.173 -6.764 1.00 20.98 H new ATOM 0 HB3 ASP A 58 1.362 -23.457 -6.409 1.00 20.98 H new ATOM 927 N TYR A 59 0.801 -22.488 -3.723 1.00 19.37 N ATOM 928 CA TYR A 59 1.133 -21.416 -2.787 1.00 18.69 C ATOM 929 C TYR A 59 0.190 -21.407 -1.586 1.00 18.82 C ATOM 930 O TYR A 59 0.195 -20.466 -0.791 1.00 18.30 O ATOM 931 CB TYR A 59 1.100 -20.065 -3.504 1.00 17.29 C ATOM 932 CG TYR A 59 2.162 -19.929 -4.575 1.00 17.19 C ATOM 933 CD1 TYR A 59 1.975 -20.473 -5.840 1.00 17.17 C ATOM 934 CD2 TYR A 59 3.355 -19.263 -4.318 1.00 17.22 C ATOM 935 CE1 TYR A 59 2.944 -20.357 -6.818 1.00 17.26 C ATOM 936 CE2 TYR A 59 4.328 -19.142 -5.292 1.00 17.25 C ATOM 937 CZ TYR A 59 4.118 -19.692 -6.539 1.00 17.30 C ATOM 938 OH TYR A 59 5.087 -19.574 -7.510 1.00 17.49 O ATOM 0 H TYR A 59 0.094 -22.239 -4.415 1.00 19.37 H new ATOM 0 HA TYR A 59 2.140 -21.597 -2.412 1.00 18.69 H new ATOM 0 HB2 TYR A 59 0.118 -19.925 -3.956 1.00 17.29 H new ATOM 0 HB3 TYR A 59 1.229 -19.269 -2.771 1.00 17.29 H new ATOM 0 HD1 TYR A 59 1.056 -20.995 -6.062 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.524 -18.833 -3.342 1.00 17.22 H new ATOM 0 HE1 TYR A 59 2.782 -20.785 -7.796 1.00 17.26 H new ATOM 0 HE2 TYR A 59 5.248 -18.619 -5.078 1.00 17.25 H new ATOM 0 HH TYR A 59 5.355 -18.635 -7.593 1.00 17.49 H new ATOM 948 N ASN A 60 -0.619 -22.458 -1.462 1.00 19.61 N ATOM 949 CA ASN A 60 -1.555 -22.598 -0.345 1.00 19.94 C ATOM 950 C ASN A 60 -2.651 -21.533 -0.364 1.00 18.78 C ATOM 951 O ASN A 60 -3.232 -21.219 0.676 1.00 18.73 O ATOM 952 CB ASN A 60 -0.802 -22.554 0.990 1.00 20.73 C ATOM 953 CG ASN A 60 0.228 -23.664 1.112 1.00 21.53 C ATOM 954 OD1 ASN A 60 0.798 -24.112 0.118 1.00 21.59 O ATOM 955 ND2 ASN A 60 0.471 -24.113 2.338 1.00 22.24 N ATOM 0 H ASN A 60 -0.645 -23.231 -2.127 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.042 -23.566 -0.457 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.306 -21.589 1.092 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -1.516 -22.633 1.809 1.00 20.73 H new ATOM 0 HD21 ASN A 60 1.153 -24.858 2.483 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -0.024 -23.713 3.135 1.00 22.24 H new ATOM 962 N ILE A 61 -2.936 -20.982 -1.541 1.00 17.93 N ATOM 963 CA ILE A 61 -3.987 -19.977 -1.671 1.00 16.80 C ATOM 964 C ILE A 61 -5.314 -20.551 -1.174 1.00 17.14 C ATOM 965 O ILE A 61 -5.504 -21.768 -1.171 1.00 17.46 O ATOM 966 CB ILE A 61 -4.131 -19.488 -3.131 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.904 -18.659 -3.529 1.00 15.44 C ATOM 968 CG2 ILE A 61 -5.408 -18.675 -3.312 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.904 -18.223 -4.979 1.00 14.60 C ATOM 0 H ILE A 61 -2.458 -21.212 -2.412 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.710 -19.117 -1.061 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.195 -20.360 -3.782 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.853 -17.775 -2.894 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -2.004 -19.243 -3.335 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -5.485 -18.343 -4.348 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -6.271 -19.293 -3.064 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -5.383 -17.806 -2.654 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -2.005 -17.642 -5.184 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.923 -19.102 -5.623 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -3.784 -17.611 -5.175 1.00 14.60 H new ATOM 981 N GLN A 62 -6.229 -19.678 -0.762 1.00 17.17 N ATOM 982 CA GLN A 62 -7.528 -20.106 -0.248 1.00 17.56 C ATOM 983 C GLN A 62 -8.579 -19.046 -0.558 1.00 16.44 C ATOM 984 O GLN A 62 -8.242 -17.920 -0.921 1.00 15.35 O ATOM 985 CB GLN A 62 -7.460 -20.345 1.264 1.00 18.57 C ATOM 986 CG GLN A 62 -6.469 -21.424 1.672 1.00 19.77 C ATOM 987 CD GLN A 62 -6.460 -21.669 3.169 1.00 20.75 C ATOM 988 OE1 GLN A 62 -5.694 -21.048 3.906 1.00 21.49 O ATOM 989 NE2 GLN A 62 -7.315 -22.576 3.626 1.00 20.83 N ATOM 0 H GLN A 62 -6.095 -18.667 -0.774 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.803 -21.042 -0.734 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.190 -19.412 1.758 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.451 -20.621 1.624 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -6.715 -22.352 1.157 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -5.469 -21.135 1.348 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -7.932 -23.067 2.979 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -7.355 -22.782 4.624 1.00 20.83 H new ATOM 998 N LYS A 63 -9.852 -19.406 -0.423 1.00 16.74 N ATOM 999 CA LYS A 63 -10.941 -18.473 -0.690 1.00 15.83 C ATOM 1000 C LYS A 63 -10.762 -17.167 0.083 1.00 15.40 C ATOM 1001 O LYS A 63 -10.226 -17.158 1.192 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.285 -19.113 -0.328 1.00 16.42 C ATOM 1003 CG LYS A 63 -12.371 -19.581 1.118 1.00 17.58 C ATOM 1004 CD LYS A 63 -13.644 -20.372 1.380 1.00 18.15 C ATOM 1005 CE LYS A 63 -14.889 -19.531 1.140 1.00 19.19 C ATOM 1006 NZ LYS A 63 -16.135 -20.290 1.432 1.00 18.86 N ATOM 0 H LYS A 63 -10.154 -20.335 -0.131 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.925 -18.240 -1.755 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -13.082 -18.394 -0.516 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.462 -19.963 -0.987 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -11.504 -20.199 1.352 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.336 -18.718 1.782 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -13.667 -21.249 0.733 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -13.642 -20.734 2.408 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -14.851 -18.640 1.766 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -14.904 -19.192 0.104 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -16.961 -19.683 1.256 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -16.184 -21.127 0.817 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -16.133 -20.592 2.427 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.210 -16.067 -0.522 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.121 -14.741 0.093 1.00 13.93 C ATOM 1022 C GLU A 64 -9.670 -14.290 0.261 1.00 13.56 C ATOM 1023 O GLU A 64 -9.352 -13.531 1.179 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.833 -14.736 1.452 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.257 -15.269 1.401 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.930 -15.258 2.759 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -13.767 -16.243 3.511 1.00 16.92 O ATOM 1028 OE2 GLU A 64 -14.620 -14.265 3.074 1.00 15.76 O ATOM 0 H GLU A 64 -11.642 -16.068 -1.446 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.614 -14.036 -0.576 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.256 -15.335 2.156 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.850 -13.717 1.839 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.842 -14.668 0.705 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.247 -16.287 1.012 1.00 15.11 H new ATOM 1035 N SER A 65 -8.797 -14.746 -0.634 1.00 13.38 N ATOM 1036 CA SER A 65 -7.382 -14.379 -0.579 1.00 13.05 C ATOM 1037 C SER A 65 -7.130 -13.069 -1.321 1.00 11.65 C ATOM 1038 O SER A 65 -7.941 -12.645 -2.139 1.00 10.94 O ATOM 1039 CB SER A 65 -6.516 -15.490 -1.175 1.00 13.61 C ATOM 1040 OG SER A 65 -6.941 -15.825 -2.485 1.00 14.92 O ATOM 0 H SER A 65 -9.042 -15.368 -1.404 1.00 13.38 H new ATOM 0 HA SER A 65 -7.111 -14.243 0.468 1.00 13.05 H new ATOM 0 HB2 SER A 65 -5.474 -15.170 -1.199 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.563 -16.373 -0.538 1.00 13.61 H new ATOM 0 HG SER A 65 -7.524 -16.612 -2.449 1.00 14.92 H new ATOM 1046 N THR A 66 -6.001 -12.434 -1.021 1.00 11.29 N ATOM 1047 CA THR A 66 -5.631 -11.173 -1.660 1.00 9.99 C ATOM 1048 C THR A 66 -4.364 -11.344 -2.494 1.00 9.57 C ATOM 1049 O THR A 66 -3.333 -11.785 -1.986 1.00 10.12 O ATOM 1050 CB THR A 66 -5.404 -10.062 -0.614 1.00 9.92 C ATOM 1051 OG1 THR A 66 -6.567 -9.921 0.211 1.00 10.85 O ATOM 1052 CG2 THR A 66 -5.090 -8.731 -1.285 1.00 8.71 C ATOM 0 H THR A 66 -5.324 -12.772 -0.337 1.00 11.29 H new ATOM 0 HA THR A 66 -6.457 -10.882 -2.309 1.00 9.99 H new ATOM 0 HB THR A 66 -4.551 -10.348 0.001 1.00 9.92 H new ATOM 0 HG1 THR A 66 -6.414 -9.215 0.873 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.935 -7.967 -0.523 1.00 8.71 H new ATOM 0 HG22 THR A 66 -4.187 -8.831 -1.887 1.00 8.71 H new ATOM 0 HG23 THR A 66 -5.923 -8.441 -1.925 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.450 -10.989 -3.775 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.314 -11.103 -4.688 1.00 8.45 C ATOM 1062 C LEU A 67 -2.848 -9.719 -5.128 1.00 7.19 C ATOM 1063 O LEU A 67 -3.626 -8.944 -5.689 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.688 -11.940 -5.922 1.00 8.71 C ATOM 1065 CG LEU A 67 -4.115 -13.391 -5.651 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -3.165 -14.069 -4.674 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -5.548 -13.451 -5.136 1.00 10.94 C ATOM 0 H LEU A 67 -5.298 -10.619 -4.205 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.503 -11.603 -4.159 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.500 -11.435 -6.445 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.833 -11.955 -6.598 1.00 8.71 H new ATOM 0 HG LEU A 67 -4.070 -13.932 -6.596 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -3.492 -15.094 -4.501 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -2.158 -14.075 -5.090 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -3.164 -13.524 -3.730 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -5.825 -14.489 -4.952 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -5.625 -12.885 -4.208 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -6.220 -13.022 -5.879 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.578 -9.411 -4.876 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.018 -8.114 -5.245 1.00 5.99 C ATOM 1081 C HIS A 68 -0.518 -8.122 -6.689 1.00 5.70 C ATOM 1082 O HIS A 68 0.448 -8.808 -7.020 1.00 6.53 O ATOM 1083 CB HIS A 68 0.116 -7.733 -4.289 1.00 6.18 C ATOM 1084 CG HIS A 68 0.355 -6.257 -4.201 1.00 6.68 C ATOM 1085 ND1 HIS A 68 -0.609 -5.362 -3.783 1.00 6.45 N ATOM 1086 CD2 HIS A 68 1.457 -5.518 -4.474 1.00 7.71 C ATOM 1087 CE1 HIS A 68 -0.112 -4.138 -3.806 1.00 7.36 C ATOM 1088 NE2 HIS A 68 1.139 -4.206 -4.221 1.00 8.09 N ATOM 0 H HIS A 68 -0.919 -10.041 -4.419 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.809 -7.368 -5.166 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.114 -8.115 -3.295 1.00 6.18 H new ATOM 0 HB3 HIS A 68 1.034 -8.223 -4.614 1.00 6.18 H new ATOM 0 HD1 HIS A 68 -1.558 -5.607 -3.500 1.00 6.45 H new ATOM 0 HD2 HIS A 68 2.408 -5.891 -4.825 1.00 7.71 H new ATOM 0 HE1 HIS A 68 -0.639 -3.236 -3.532 1.00 7.36 H new ATOM 1097 N LEU A 69 -1.189 -7.351 -7.544 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.828 -7.259 -8.957 1.00 4.96 C ATOM 1099 C LEU A 69 0.093 -6.067 -9.203 1.00 4.58 C ATOM 1100 O LEU A 69 -0.288 -4.918 -8.974 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.094 -7.130 -9.814 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.857 -6.952 -11.318 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -1.227 -8.202 -11.918 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.163 -6.617 -12.027 1.00 5.42 C ATOM 0 H LEU A 69 -1.990 -6.778 -7.280 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.296 -8.168 -9.237 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.706 -8.019 -9.663 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.672 -6.280 -9.452 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.165 -6.122 -11.459 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -1.068 -8.053 -12.986 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -0.271 -8.396 -11.432 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -1.891 -9.053 -11.766 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -2.977 -6.494 -13.094 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.878 -7.426 -11.874 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.570 -5.691 -11.621 1.00 5.42 H new ATOM 1116 N VAL A 70 1.307 -6.350 -9.671 1.00 5.29 N ATOM 1117 CA VAL A 70 2.293 -5.308 -9.948 1.00 5.30 C ATOM 1118 C VAL A 70 3.072 -5.621 -11.224 1.00 6.23 C ATOM 1119 O VAL A 70 2.998 -6.731 -11.748 1.00 7.13 O ATOM 1120 CB VAL A 70 3.291 -5.161 -8.776 1.00 5.71 C ATOM 1121 CG1 VAL A 70 4.242 -3.994 -9.006 1.00 5.73 C ATOM 1122 CG2 VAL A 70 2.550 -5.002 -7.454 1.00 5.32 C ATOM 0 H VAL A 70 1.632 -7.297 -9.867 1.00 5.29 H new ATOM 0 HA VAL A 70 1.747 -4.373 -10.075 1.00 5.30 H new ATOM 0 HB VAL A 70 3.887 -6.072 -8.727 1.00 5.71 H new ATOM 0 HG11 VAL A 70 4.932 -3.916 -8.166 1.00 5.73 H new ATOM 0 HG12 VAL A 70 4.806 -4.160 -9.924 1.00 5.73 H new ATOM 0 HG13 VAL A 70 3.670 -3.070 -9.093 1.00 5.73 H new ATOM 0 HG21 VAL A 70 3.271 -4.900 -6.643 1.00 5.32 H new ATOM 0 HG22 VAL A 70 1.921 -4.113 -7.494 1.00 5.32 H new ATOM 0 HG23 VAL A 70 1.927 -5.879 -7.278 1.00 5.32 H new ATOM 1132 N LEU A 71 3.797 -4.628 -11.732 1.00 6.27 N ATOM 1133 CA LEU A 71 4.610 -4.803 -12.931 1.00 7.40 C ATOM 1134 C LEU A 71 6.042 -5.170 -12.546 1.00 8.31 C ATOM 1135 O LEU A 71 6.663 -4.493 -11.725 1.00 8.22 O ATOM 1136 CB LEU A 71 4.611 -3.524 -13.776 1.00 7.48 C ATOM 1137 CG LEU A 71 3.280 -3.186 -14.459 1.00 7.46 C ATOM 1138 CD1 LEU A 71 2.231 -2.776 -13.435 1.00 6.63 C ATOM 1139 CD2 LEU A 71 3.479 -2.083 -15.491 1.00 8.16 C ATOM 0 H LEU A 71 3.838 -3.691 -11.330 1.00 6.27 H new ATOM 0 HA LEU A 71 4.179 -5.611 -13.522 1.00 7.40 H new ATOM 0 HB2 LEU A 71 4.895 -2.687 -13.138 1.00 7.48 H new ATOM 0 HB3 LEU A 71 5.380 -3.616 -14.543 1.00 7.48 H new ATOM 0 HG LEU A 71 2.922 -4.080 -14.969 1.00 7.46 H new ATOM 0 HD11 LEU A 71 1.297 -2.542 -13.945 1.00 6.63 H new ATOM 0 HD12 LEU A 71 2.067 -3.595 -12.735 1.00 6.63 H new ATOM 0 HD13 LEU A 71 2.578 -1.897 -12.891 1.00 6.63 H new ATOM 0 HD21 LEU A 71 2.526 -1.854 -15.967 1.00 8.16 H new ATOM 0 HD22 LEU A 71 3.863 -1.189 -14.999 1.00 8.16 H new ATOM 0 HD23 LEU A 71 4.191 -2.415 -16.246 1.00 8.16 H new ATOM 1151 N ARG A 72 6.561 -6.247 -13.137 1.00 9.27 N ATOM 1152 CA ARG A 72 7.922 -6.698 -12.849 1.00 10.25 C ATOM 1153 C ARG A 72 8.940 -5.747 -13.481 1.00 11.32 C ATOM 1154 O ARG A 72 8.700 -4.541 -13.555 1.00 12.10 O ATOM 1155 CB ARG A 72 8.126 -8.130 -13.360 1.00 10.86 C ATOM 1156 CG ARG A 72 9.127 -8.933 -12.538 1.00 11.89 C ATOM 1157 CD ARG A 72 9.351 -10.319 -13.123 1.00 12.56 C ATOM 1158 NE ARG A 72 10.300 -11.100 -12.331 1.00 13.15 N ATOM 1159 CZ ARG A 72 10.698 -12.329 -12.651 1.00 13.62 C ATOM 1160 NH1 ARG A 72 10.227 -12.919 -13.742 1.00 13.61 N ATOM 1161 NH2 ARG A 72 11.567 -12.968 -11.880 1.00 14.22 N ATOM 0 H ARG A 72 6.061 -6.821 -13.816 1.00 9.27 H new ATOM 0 HA ARG A 72 8.073 -6.694 -11.770 1.00 10.25 H new ATOM 0 HB2 ARG A 72 7.167 -8.648 -13.357 1.00 10.86 H new ATOM 0 HB3 ARG A 72 8.465 -8.093 -14.395 1.00 10.86 H new ATOM 0 HG2 ARG A 72 10.076 -8.398 -12.496 1.00 11.89 H new ATOM 0 HG3 ARG A 72 8.767 -9.024 -11.513 1.00 11.89 H new ATOM 0 HD2 ARG A 72 8.400 -10.849 -13.175 1.00 12.56 H new ATOM 0 HD3 ARG A 72 9.721 -10.226 -14.144 1.00 12.56 H new ATOM 0 HE ARG A 72 10.679 -10.678 -11.483 1.00 13.15 H new ATOM 0 HH11 ARG A 72 9.558 -12.431 -14.338 1.00 13.61 H new ATOM 0 HH12 ARG A 72 10.534 -13.861 -13.985 1.00 13.61 H new ATOM 0 HH21 ARG A 72 11.931 -12.518 -11.040 1.00 14.22 H new ATOM 0 HH22 ARG A 72 11.871 -13.910 -12.126 1.00 14.22 H new ATOM 1175 N LEU A 73 10.077 -6.283 -13.930 1.00 11.45 N ATOM 1176 CA LEU A 73 11.109 -5.459 -14.555 1.00 12.57 C ATOM 1177 C LEU A 73 10.502 -4.582 -15.648 1.00 13.68 C ATOM 1178 O LEU A 73 10.225 -5.049 -16.754 1.00 13.63 O ATOM 1179 CB LEU A 73 12.225 -6.334 -15.138 1.00 12.50 C ATOM 1180 CG LEU A 73 13.045 -7.125 -14.111 1.00 12.30 C ATOM 1181 CD1 LEU A 73 14.109 -7.963 -14.808 1.00 11.49 C ATOM 1182 CD2 LEU A 73 13.686 -6.187 -13.095 1.00 12.81 C ATOM 0 H LEU A 73 10.304 -7.276 -13.873 1.00 11.45 H new ATOM 0 HA LEU A 73 11.541 -4.816 -13.788 1.00 12.57 H new ATOM 0 HB2 LEU A 73 11.781 -7.037 -15.843 1.00 12.50 H new ATOM 0 HB3 LEU A 73 12.903 -5.698 -15.707 1.00 12.50 H new ATOM 0 HG LEU A 73 12.370 -7.796 -13.579 1.00 12.30 H new ATOM 0 HD11 LEU A 73 14.681 -8.517 -14.064 1.00 11.49 H new ATOM 0 HD12 LEU A 73 13.630 -8.663 -15.493 1.00 11.49 H new ATOM 0 HD13 LEU A 73 14.779 -7.309 -15.367 1.00 11.49 H new ATOM 0 HD21 LEU A 73 14.263 -6.769 -12.376 1.00 12.81 H new ATOM 0 HD22 LEU A 73 14.346 -5.489 -13.610 1.00 12.81 H new ATOM 0 HD23 LEU A 73 12.908 -5.631 -12.571 1.00 12.81 H new ATOM 1194 N ARG A 74 10.297 -3.310 -15.319 1.00 14.71 N ATOM 1195 CA ARG A 74 9.706 -2.350 -16.246 1.00 15.86 C ATOM 1196 C ARG A 74 9.712 -0.958 -15.624 1.00 16.72 C ATOM 1197 O ARG A 74 10.128 0.015 -16.255 1.00 17.60 O ATOM 1198 CB ARG A 74 8.273 -2.770 -16.604 1.00 16.64 C ATOM 1199 CG ARG A 74 7.480 -1.713 -17.365 1.00 16.74 C ATOM 1200 CD ARG A 74 6.785 -0.740 -16.422 1.00 17.43 C ATOM 1201 NE ARG A 74 5.825 0.111 -17.122 1.00 18.56 N ATOM 1202 CZ ARG A 74 5.030 0.984 -16.509 1.00 18.96 C ATOM 1203 NH1 ARG A 74 5.079 1.120 -15.190 1.00 18.35 N ATOM 1204 NH2 ARG A 74 4.184 1.721 -17.215 1.00 20.03 N ATOM 0 H ARG A 74 10.534 -2.917 -14.408 1.00 14.71 H new ATOM 0 HA ARG A 74 10.298 -2.329 -17.161 1.00 15.86 H new ATOM 0 HB2 ARG A 74 8.313 -3.679 -17.204 1.00 16.64 H new ATOM 0 HB3 ARG A 74 7.739 -3.017 -15.686 1.00 16.64 H new ATOM 0 HG2 ARG A 74 8.149 -1.163 -18.027 1.00 16.74 H new ATOM 0 HG3 ARG A 74 6.737 -2.200 -17.997 1.00 16.74 H new ATOM 0 HD2 ARG A 74 6.271 -1.298 -15.640 1.00 17.43 H new ATOM 0 HD3 ARG A 74 7.531 -0.116 -15.931 1.00 17.43 H new ATOM 0 HE ARG A 74 5.761 0.031 -18.137 1.00 18.56 H new ATOM 0 HH11 ARG A 74 5.728 0.554 -14.643 1.00 18.35 H new ATOM 0 HH12 ARG A 74 4.468 1.790 -14.723 1.00 18.35 H new ATOM 0 HH21 ARG A 74 4.142 1.619 -18.229 1.00 20.03 H new ATOM 0 HH22 ARG A 74 3.575 2.390 -16.744 1.00 20.03 H new ATOM 1218 N GLY A 75 9.245 -0.880 -14.380 1.00 16.49 N ATOM 1219 CA GLY A 75 9.202 0.385 -13.670 1.00 17.34 C ATOM 1220 C GLY A 75 9.802 0.278 -12.283 1.00 16.75 C ATOM 1221 O GLY A 75 10.994 0.006 -12.135 1.00 16.31 O ATOM 0 H GLY A 75 8.894 -1.677 -13.849 1.00 16.49 H new ATOM 0 HA2 GLY A 75 9.742 1.140 -14.241 1.00 17.34 H new ATOM 0 HA3 GLY A 75 8.168 0.723 -13.593 1.00 17.34 H new ATOM 1225 N GLY A 76 8.974 0.492 -11.267 1.00 16.82 N ATOM 1226 CA GLY A 76 9.438 0.414 -9.894 1.00 16.39 C ATOM 1227 C GLY A 76 8.487 1.093 -8.930 1.00 16.87 C ATOM 1228 O GLY A 76 7.855 2.090 -9.330 1.00 16.60 O ATOM 1229 OXT GLY A 76 8.371 0.625 -7.780 1.00 17.60 O ATOM 0 H GLY A 76 7.985 0.719 -11.370 1.00 16.82 H new ATOM 0 HA2 GLY A 76 9.555 -0.632 -9.610 1.00 16.39 H new ATOM 0 HA3 GLY A 76 10.422 0.877 -9.818 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 20.161 15.320 9.010 1.00 8.45 N ATOM 1235 CA ALA B 5 20.945 15.311 7.749 1.00 8.55 C ATOM 1236 C ALA B 5 20.155 14.658 6.620 1.00 8.21 C ATOM 1237 O ALA B 5 19.962 15.263 5.565 1.00 8.17 O ATOM 1238 CB ALA B 5 22.269 14.588 7.957 1.00 9.15 C ATOM 0 HA ALA B 5 21.148 16.344 7.466 1.00 8.55 H new ATOM 0 HB1 ALA B 5 22.834 14.588 7.025 1.00 9.15 H new ATOM 0 HB2 ALA B 5 22.844 15.097 8.730 1.00 9.15 H new ATOM 0 HB3 ALA B 5 22.078 13.560 8.265 1.00 9.15 H new ATOM 1244 N LYS B 6 19.700 13.426 6.843 1.00 8.14 N ATOM 1245 CA LYS B 6 18.931 12.699 5.835 1.00 7.96 C ATOM 1246 C LYS B 6 17.482 12.526 6.275 1.00 7.52 C ATOM 1247 O LYS B 6 17.098 12.914 7.379 1.00 7.55 O ATOM 1248 CB LYS B 6 19.568 11.333 5.567 1.00 8.42 C ATOM 1249 CG LYS B 6 21.036 11.407 5.169 1.00 9.06 C ATOM 1250 CD LYS B 6 21.242 12.271 3.933 1.00 9.58 C ATOM 1251 CE LYS B 6 22.715 12.397 3.581 1.00 10.19 C ATOM 1252 NZ LYS B 6 22.926 13.273 2.395 1.00 10.58 N ATOM 0 H LYS B 6 19.850 12.912 7.711 1.00 8.14 H new ATOM 0 HA LYS B 6 18.941 13.282 4.914 1.00 7.96 H new ATOM 0 HB2 LYS B 6 19.474 10.717 6.461 1.00 8.42 H new ATOM 0 HB3 LYS B 6 19.011 10.832 4.775 1.00 8.42 H new ATOM 0 HG2 LYS B 6 21.617 11.812 5.997 1.00 9.06 H new ATOM 0 HG3 LYS B 6 21.412 10.402 4.977 1.00 9.06 H new ATOM 0 HD2 LYS B 6 20.701 11.838 3.091 1.00 9.58 H new ATOM 0 HD3 LYS B 6 20.822 13.262 4.106 1.00 9.58 H new ATOM 0 HE2 LYS B 6 23.259 12.802 4.434 1.00 10.19 H new ATOM 0 HE3 LYS B 6 23.127 11.408 3.381 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 23.943 13.335 2.185 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 22.427 12.873 1.575 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 22.556 14.224 2.595 1.00 10.58 H new ATOM 1266 N GLU B 7 16.686 11.934 5.387 1.00 7.18 N ATOM 1267 CA GLU B 7 15.281 11.657 5.656 1.00 6.79 C ATOM 1268 C GLU B 7 15.092 10.158 5.868 1.00 6.27 C ATOM 1269 O GLU B 7 15.541 9.351 5.054 1.00 6.06 O ATOM 1270 CB GLU B 7 14.405 12.145 4.497 1.00 6.70 C ATOM 1271 CG GLU B 7 14.272 13.659 4.426 1.00 7.25 C ATOM 1272 CD GLU B 7 15.615 14.368 4.431 1.00 7.37 C ATOM 1273 OE1 GLU B 7 16.320 14.312 3.401 1.00 7.56 O ATOM 1274 OE2 GLU B 7 15.964 14.974 5.466 1.00 7.53 O ATOM 0 H GLU B 7 16.998 11.634 4.463 1.00 7.18 H new ATOM 0 HA GLU B 7 14.979 12.190 6.558 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.824 11.782 3.559 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.412 11.706 4.594 1.00 6.70 H new ATOM 0 HG2 GLU B 7 13.727 13.929 3.522 1.00 7.25 H new ATOM 0 HG3 GLU B 7 13.679 14.007 5.272 1.00 7.25 H new ATOM 1281 N TYR B 8 14.434 9.790 6.964 1.00 6.11 N ATOM 1282 CA TYR B 8 14.205 8.382 7.280 1.00 5.67 C ATOM 1283 C TYR B 8 12.743 8.113 7.620 1.00 5.23 C ATOM 1284 O TYR B 8 11.953 9.040 7.798 1.00 5.37 O ATOM 1285 CB TYR B 8 15.097 7.948 8.446 1.00 5.93 C ATOM 1286 CG TYR B 8 16.574 8.147 8.187 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.311 7.199 7.485 1.00 6.75 C ATOM 1288 CD2 TYR B 8 17.232 9.282 8.645 1.00 6.73 C ATOM 1289 CE1 TYR B 8 18.660 7.379 7.247 1.00 7.21 C ATOM 1290 CE2 TYR B 8 18.581 9.467 8.411 1.00 7.19 C ATOM 1291 CZ TYR B 8 19.290 8.513 7.711 1.00 7.34 C ATOM 1292 OH TYR B 8 20.632 8.697 7.474 1.00 7.84 O ATOM 0 H TYR B 8 14.051 10.444 7.646 1.00 6.11 H new ATOM 0 HA TYR B 8 14.458 7.801 6.393 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.814 8.509 9.337 1.00 5.93 H new ATOM 0 HB3 TYR B 8 14.913 6.895 8.661 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.821 6.308 7.120 1.00 6.75 H new ATOM 0 HD2 TYR B 8 16.680 10.032 9.193 1.00 6.73 H new ATOM 0 HE1 TYR B 8 19.218 6.634 6.700 1.00 7.21 H new ATOM 0 HE2 TYR B 8 19.078 10.354 8.774 1.00 7.19 H new ATOM 0 HH TYR B 8 20.920 9.547 7.867 1.00 7.84 H new ATOM 1302 N CYS B 9 12.402 6.833 7.704 1.00 4.73 N ATOM 1303 CA CYS B 9 11.040 6.417 8.025 1.00 4.31 C ATOM 1304 C CYS B 9 11.034 5.093 8.783 1.00 3.91 C ATOM 1305 O CYS B 9 11.938 4.271 8.623 1.00 3.80 O ATOM 1306 CB CYS B 9 10.210 6.297 6.743 1.00 4.13 C ATOM 1307 SG CYS B 9 10.977 5.284 5.457 1.00 4.61 S ATOM 0 H CYS B 9 13.052 6.061 7.554 1.00 4.73 H new ATOM 0 HA CYS B 9 10.595 7.176 8.668 1.00 4.31 H new ATOM 0 HB2 CYS B 9 9.237 5.873 6.992 1.00 4.13 H new ATOM 0 HB3 CYS B 9 10.031 7.296 6.345 1.00 4.13 H new ATOM 0 HG CYS B 9 10.199 5.242 4.416 1.00 4.61 H new ATOM 1313 N ARG B 10 10.008 4.893 9.611 1.00 3.77 N ATOM 1314 CA ARG B 10 9.889 3.669 10.402 1.00 3.48 C ATOM 1315 C ARG B 10 8.925 2.688 9.742 1.00 3.02 C ATOM 1316 O ARG B 10 7.914 3.090 9.168 1.00 3.04 O ATOM 1317 CB ARG B 10 9.414 4.001 11.819 1.00 3.74 C ATOM 1318 CG ARG B 10 9.534 2.840 12.795 1.00 3.64 C ATOM 1319 CD ARG B 10 9.094 3.241 14.194 1.00 3.85 C ATOM 1320 NE ARG B 10 9.406 2.213 15.184 1.00 3.92 N ATOM 1321 CZ ARG B 10 9.252 2.379 16.495 1.00 4.05 C ATOM 1322 NH1 ARG B 10 8.794 3.528 16.975 1.00 4.22 N ATOM 1323 NH2 ARG B 10 9.556 1.393 17.328 1.00 4.43 N ATOM 0 H ARG B 10 9.250 5.561 9.751 1.00 3.77 H new ATOM 0 HA ARG B 10 10.871 3.200 10.457 1.00 3.48 H new ATOM 0 HB2 ARG B 10 9.993 4.843 12.198 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.373 4.322 11.777 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.926 2.006 12.446 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.567 2.492 12.823 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.583 4.174 14.474 1.00 3.85 H new ATOM 0 HD3 ARG B 10 8.021 3.431 14.195 1.00 3.85 H new ATOM 0 HE ARG B 10 9.762 1.317 14.851 1.00 3.92 H new ATOM 0 HH11 ARG B 10 8.558 4.289 16.338 1.00 4.22 H new ATOM 0 HH12 ARG B 10 8.678 3.650 17.981 1.00 4.22 H new ATOM 0 HH21 ARG B 10 9.908 0.508 16.964 1.00 4.43 H new ATOM 0 HH22 ARG B 10 9.438 1.520 18.333 1.00 4.43 H new ATOM 1337 N THR B 11 9.244 1.393 9.838 1.00 2.72 N ATOM 1338 CA THR B 11 8.417 0.345 9.243 1.00 2.35 C ATOM 1339 C THR B 11 7.272 -0.065 10.163 1.00 2.40 C ATOM 1340 O THR B 11 7.497 -0.433 11.317 1.00 2.57 O ATOM 1341 CB THR B 11 9.258 -0.899 8.926 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.946 -1.329 10.105 1.00 2.48 O ATOM 1343 CG2 THR B 11 10.263 -0.607 7.824 1.00 2.15 C ATOM 0 H THR B 11 10.072 1.048 10.324 1.00 2.72 H new ATOM 0 HA THR B 11 8.002 0.759 8.324 1.00 2.35 H new ATOM 0 HB THR B 11 8.590 -1.689 8.583 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.081 -2.299 10.070 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.847 -1.504 7.617 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.734 -0.302 6.921 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.929 0.195 8.142 1.00 2.15 H new ATOM 1351 N LEU B 12 6.051 -0.002 9.647 1.00 2.42 N ATOM 1352 CA LEU B 12 4.876 -0.369 10.429 1.00 2.61 C ATOM 1353 C LEU B 12 4.525 -1.847 10.248 1.00 2.57 C ATOM 1354 O LEU B 12 3.849 -2.428 11.098 1.00 2.79 O ATOM 1355 CB LEU B 12 3.686 0.501 10.019 1.00 2.93 C ATOM 1356 CG LEU B 12 3.981 2.002 9.914 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.770 2.749 9.375 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.400 2.565 11.265 1.00 3.78 C ATOM 0 H LEU B 12 5.848 0.299 8.694 1.00 2.42 H new ATOM 0 HA LEU B 12 5.106 -0.203 11.481 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.316 0.151 9.055 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.883 0.354 10.741 1.00 2.93 H new ATOM 0 HG LEU B 12 4.807 2.139 9.217 1.00 3.34 H new ATOM 0 HD11 LEU B 12 2.999 3.813 9.308 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.519 2.369 8.385 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.924 2.602 10.046 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.604 3.631 11.167 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.597 2.414 11.987 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.299 2.053 11.610 1.00 3.78 H new ATOM 1370 N PHE B 13 4.976 -2.458 9.151 1.00 2.42 N ATOM 1371 CA PHE B 13 4.694 -3.873 8.896 1.00 2.54 C ATOM 1372 C PHE B 13 5.908 -4.592 8.302 1.00 2.25 C ATOM 1373 O PHE B 13 6.818 -3.955 7.769 1.00 1.97 O ATOM 1374 CB PHE B 13 3.496 -4.003 7.952 1.00 2.93 C ATOM 1375 CG PHE B 13 2.191 -3.596 8.578 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.421 -4.520 9.267 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.735 -2.291 8.477 1.00 3.89 C ATOM 1378 CE1 PHE B 13 0.221 -4.150 9.844 1.00 4.67 C ATOM 1379 CE2 PHE B 13 0.536 -1.915 9.052 1.00 4.60 C ATOM 1380 CZ PHE B 13 -0.222 -2.846 9.737 1.00 4.88 C ATOM 0 H PHE B 13 5.534 -2.000 8.430 1.00 2.42 H new ATOM 0 HA PHE B 13 4.461 -4.345 9.850 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.672 -3.390 7.068 1.00 2.93 H new ATOM 0 HB3 PHE B 13 3.421 -5.036 7.614 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.763 -5.541 9.354 1.00 3.98 H new ATOM 0 HD2 PHE B 13 2.323 -1.560 7.943 1.00 3.89 H new ATOM 0 HE1 PHE B 13 -0.370 -4.880 10.378 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.192 -0.895 8.966 1.00 4.60 H new ATOM 0 HZ PHE B 13 -1.159 -2.554 10.188 1.00 4.88 H new ATOM 1390 N PRO B 14 5.931 -5.940 8.392 1.00 2.42 N ATOM 1391 CA PRO B 14 7.034 -6.753 7.872 1.00 2.31 C ATOM 1392 C PRO B 14 6.950 -7.009 6.362 1.00 2.34 C ATOM 1393 O PRO B 14 6.656 -8.124 5.923 1.00 2.77 O ATOM 1394 CB PRO B 14 6.894 -8.057 8.654 1.00 2.76 C ATOM 1395 CG PRO B 14 5.431 -8.180 8.913 1.00 3.11 C ATOM 1396 CD PRO B 14 4.897 -6.774 9.039 1.00 2.88 C ATOM 0 HA PRO B 14 7.995 -6.255 7.998 1.00 2.31 H new ATOM 0 HB2 PRO B 14 7.269 -8.906 8.082 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.461 -8.025 9.585 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.937 -8.711 8.100 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.245 -8.748 9.824 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.931 -6.668 8.544 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.753 -6.494 10.082 1.00 2.88 H new ATOM 1404 N TYR B 15 7.200 -5.973 5.584 1.00 2.05 N ATOM 1405 CA TYR B 15 7.190 -6.089 4.125 1.00 2.18 C ATOM 1406 C TYR B 15 8.298 -7.016 3.635 1.00 2.20 C ATOM 1407 O TYR B 15 9.464 -6.844 3.990 1.00 2.06 O ATOM 1408 CB TYR B 15 7.349 -4.719 3.462 1.00 2.12 C ATOM 1409 CG TYR B 15 7.497 -4.805 1.956 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.542 -5.453 1.179 1.00 3.05 C ATOM 1411 CD2 TYR B 15 8.596 -4.253 1.311 1.00 2.50 C ATOM 1412 CE1 TYR B 15 6.680 -5.547 -0.193 1.00 3.52 C ATOM 1413 CE2 TYR B 15 8.738 -4.341 -0.061 1.00 2.98 C ATOM 1414 CZ TYR B 15 7.780 -4.988 -0.808 1.00 3.45 C ATOM 1415 OH TYR B 15 7.925 -5.084 -2.173 1.00 4.00 O ATOM 0 H TYR B 15 7.413 -5.038 5.931 1.00 2.05 H new ATOM 0 HA TYR B 15 6.225 -6.512 3.846 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.483 -4.102 3.702 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.222 -4.218 3.880 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.678 -5.890 1.656 1.00 3.05 H new ATOM 0 HD2 TYR B 15 9.353 -3.746 1.891 1.00 2.50 H new ATOM 0 HE1 TYR B 15 5.930 -6.056 -0.780 1.00 3.52 H new ATOM 0 HE2 TYR B 15 9.598 -3.903 -0.546 1.00 2.98 H new ATOM 0 HH TYR B 15 7.073 -5.356 -2.574 1.00 4.00 H new ATOM 1425 N THR B 16 7.930 -8.003 2.818 1.00 2.62 N ATOM 1426 CA THR B 16 8.899 -8.949 2.275 1.00 2.82 C ATOM 1427 C THR B 16 9.049 -8.787 0.764 1.00 2.71 C ATOM 1428 O THR B 16 8.080 -8.933 0.015 1.00 3.05 O ATOM 1429 CB THR B 16 8.495 -10.407 2.581 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.255 -10.564 3.984 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.582 -11.378 2.140 1.00 3.82 C ATOM 0 H THR B 16 6.969 -8.166 2.519 1.00 2.62 H new ATOM 0 HA THR B 16 9.852 -8.730 2.757 1.00 2.82 H new ATOM 0 HB THR B 16 7.584 -10.630 2.026 1.00 3.44 H new ATOM 0 HG1 THR B 16 7.998 -11.491 4.170 1.00 3.72 H new ATOM 0 HG21 THR B 16 9.272 -12.398 2.367 1.00 3.82 H new ATOM 0 HG22 THR B 16 9.745 -11.279 1.067 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.508 -11.153 2.670 1.00 3.82 H new ATOM 1439 N GLY B 17 10.271 -8.479 0.325 1.00 2.63 N ATOM 1440 CA GLY B 17 10.537 -8.317 -1.096 1.00 2.64 C ATOM 1441 C GLY B 17 10.260 -9.590 -1.873 1.00 2.86 C ATOM 1442 O GLY B 17 10.599 -10.685 -1.419 1.00 3.22 O ATOM 0 H GLY B 17 11.081 -8.339 0.929 1.00 2.63 H new ATOM 0 HA2 GLY B 17 9.920 -7.509 -1.491 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.577 -8.023 -1.239 1.00 2.64 H new ATOM 1446 N THR B 18 9.644 -9.450 -3.048 1.00 2.97 N ATOM 1447 CA THR B 18 9.317 -10.601 -3.883 1.00 3.40 C ATOM 1448 C THR B 18 10.272 -10.722 -5.071 1.00 3.24 C ATOM 1449 O THR B 18 10.465 -11.807 -5.620 1.00 3.53 O ATOM 1450 CB THR B 18 7.864 -10.515 -4.391 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.481 -11.754 -4.998 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.703 -9.381 -5.392 1.00 4.64 C ATOM 0 H THR B 18 9.363 -8.551 -3.440 1.00 2.97 H new ATOM 0 HA THR B 18 9.426 -11.490 -3.262 1.00 3.40 H new ATOM 0 HB THR B 18 7.218 -10.316 -3.536 1.00 4.01 H new ATOM 0 HG1 THR B 18 6.556 -11.690 -5.316 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.669 -9.342 -5.735 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.963 -8.436 -4.916 1.00 4.64 H new ATOM 0 HG23 THR B 18 8.361 -9.551 -6.244 1.00 4.64 H new ATOM 1460 N ASN B 19 10.862 -9.590 -5.459 1.00 2.97 N ATOM 1461 CA ASN B 19 11.817 -9.539 -6.567 1.00 2.95 C ATOM 1462 C ASN B 19 13.190 -9.115 -6.055 1.00 2.53 C ATOM 1463 O ASN B 19 13.314 -8.579 -4.952 1.00 2.37 O ATOM 1464 CB ASN B 19 11.343 -8.569 -7.654 1.00 3.31 C ATOM 1465 CG ASN B 19 10.278 -9.166 -8.552 1.00 3.62 C ATOM 1466 OD1 ASN B 19 10.588 -9.853 -9.525 1.00 3.98 O ATOM 1467 ND2 ASN B 19 9.017 -8.899 -8.236 1.00 4.05 N ATOM 0 H ASN B 19 10.692 -8.687 -5.016 1.00 2.97 H new ATOM 0 HA ASN B 19 11.887 -10.536 -7.003 1.00 2.95 H new ATOM 0 HB2 ASN B 19 10.951 -7.667 -7.184 1.00 3.31 H new ATOM 0 HB3 ASN B 19 12.196 -8.267 -8.262 1.00 3.31 H new ATOM 0 HD21 ASN B 19 8.258 -9.268 -8.809 1.00 4.05 H new ATOM 0 HD22 ASN B 19 8.806 -8.325 -7.420 1.00 4.05 H new ATOM 1474 N GLU B 20 14.220 -9.362 -6.861 1.00 2.59 N ATOM 1475 CA GLU B 20 15.590 -9.029 -6.482 1.00 2.51 C ATOM 1476 C GLU B 20 15.783 -7.520 -6.398 1.00 2.43 C ATOM 1477 O GLU B 20 16.442 -7.022 -5.484 1.00 2.58 O ATOM 1478 CB GLU B 20 16.581 -9.635 -7.480 1.00 2.89 C ATOM 1479 CG GLU B 20 18.040 -9.382 -7.127 1.00 3.34 C ATOM 1480 CD GLU B 20 18.423 -9.956 -5.775 1.00 3.79 C ATOM 1481 OE1 GLU B 20 18.747 -11.161 -5.712 1.00 4.26 O ATOM 1482 OE2 GLU B 20 18.398 -9.200 -4.780 1.00 4.19 O ATOM 0 H GLU B 20 14.131 -9.792 -7.782 1.00 2.59 H new ATOM 0 HA GLU B 20 15.780 -9.452 -5.495 1.00 2.51 H new ATOM 0 HB2 GLU B 20 16.412 -10.710 -7.538 1.00 2.89 H new ATOM 0 HB3 GLU B 20 16.380 -9.227 -8.471 1.00 2.89 H new ATOM 0 HG2 GLU B 20 18.677 -9.819 -7.896 1.00 3.34 H new ATOM 0 HG3 GLU B 20 18.229 -8.309 -7.128 1.00 3.34 H new ATOM 1489 N ASP B 21 15.203 -6.793 -7.352 1.00 2.53 N ATOM 1490 CA ASP B 21 15.329 -5.340 -7.367 1.00 2.79 C ATOM 1491 C ASP B 21 14.468 -4.731 -6.264 1.00 2.58 C ATOM 1492 O ASP B 21 14.490 -3.521 -6.035 1.00 2.78 O ATOM 1493 CB ASP B 21 14.936 -4.775 -8.733 1.00 3.35 C ATOM 1494 CG ASP B 21 13.518 -5.148 -9.128 1.00 3.78 C ATOM 1495 OD1 ASP B 21 12.580 -4.425 -8.729 1.00 4.22 O ATOM 1496 OD2 ASP B 21 13.344 -6.164 -9.835 1.00 4.18 O ATOM 0 H ASP B 21 14.648 -7.182 -8.115 1.00 2.53 H new ATOM 0 HA ASP B 21 16.371 -5.078 -7.183 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.032 -3.689 -8.715 1.00 3.35 H new ATOM 0 HB3 ASP B 21 15.630 -5.144 -9.489 1.00 3.35 H new ATOM 1501 N GLU B 22 13.710 -5.591 -5.587 1.00 2.35 N ATOM 1502 CA GLU B 22 12.839 -5.170 -4.501 1.00 2.22 C ATOM 1503 C GLU B 22 13.622 -5.060 -3.196 1.00 1.84 C ATOM 1504 O GLU B 22 14.669 -5.688 -3.034 1.00 1.91 O ATOM 1505 CB GLU B 22 11.694 -6.174 -4.326 1.00 2.44 C ATOM 1506 CG GLU B 22 10.346 -5.532 -4.034 1.00 2.91 C ATOM 1507 CD GLU B 22 9.675 -5.000 -5.287 1.00 3.33 C ATOM 1508 OE1 GLU B 22 10.099 -3.937 -5.781 1.00 3.77 O ATOM 1509 OE2 GLU B 22 8.728 -5.651 -5.775 1.00 3.68 O ATOM 0 H GLU B 22 13.685 -6.593 -5.777 1.00 2.35 H new ATOM 0 HA GLU B 22 12.429 -4.191 -4.751 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.610 -6.775 -5.232 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.944 -6.856 -3.513 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.693 -6.264 -3.559 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.481 -4.717 -3.323 1.00 2.91 H new ATOM 1516 N LEU B 23 13.108 -4.264 -2.274 1.00 1.69 N ATOM 1517 CA LEU B 23 13.718 -4.109 -0.961 1.00 1.59 C ATOM 1518 C LEU B 23 12.839 -4.836 0.050 1.00 1.33 C ATOM 1519 O LEU B 23 11.620 -4.883 -0.104 1.00 1.30 O ATOM 1520 CB LEU B 23 13.851 -2.626 -0.597 1.00 1.92 C ATOM 1521 CG LEU B 23 14.997 -2.283 0.366 1.00 2.39 C ATOM 1522 CD1 LEU B 23 14.811 -2.983 1.704 1.00 3.13 C ATOM 1523 CD2 LEU B 23 16.344 -2.652 -0.243 1.00 2.61 C ATOM 0 H LEU B 23 12.263 -3.710 -2.411 1.00 1.69 H new ATOM 0 HA LEU B 23 14.722 -4.533 -0.960 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.988 -2.055 -1.515 1.00 1.92 H new ATOM 0 HB3 LEU B 23 12.913 -2.293 -0.152 1.00 1.92 H new ATOM 0 HG LEU B 23 14.979 -1.207 0.537 1.00 2.39 H new ATOM 0 HD11 LEU B 23 15.636 -2.724 2.368 1.00 3.13 H new ATOM 0 HD12 LEU B 23 13.870 -2.665 2.153 1.00 3.13 H new ATOM 0 HD13 LEU B 23 14.794 -4.062 1.551 1.00 3.13 H new ATOM 0 HD21 LEU B 23 17.141 -2.400 0.457 1.00 2.61 H new ATOM 0 HD22 LEU B 23 16.368 -3.722 -0.451 1.00 2.61 H new ATOM 0 HD23 LEU B 23 16.488 -2.099 -1.171 1.00 2.61 H new ATOM 1535 N THR B 24 13.461 -5.405 1.078 1.00 1.49 N ATOM 1536 CA THR B 24 12.717 -6.111 2.115 1.00 1.61 C ATOM 1537 C THR B 24 12.793 -5.350 3.433 1.00 1.73 C ATOM 1538 O THR B 24 13.880 -5.001 3.892 1.00 2.12 O ATOM 1539 CB THR B 24 13.229 -7.553 2.315 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.003 -8.324 1.129 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.543 -8.219 3.501 1.00 2.46 C ATOM 0 H THR B 24 14.472 -5.391 1.215 1.00 1.49 H new ATOM 0 HA THR B 24 11.680 -6.168 1.785 1.00 1.61 H new ATOM 0 HB THR B 24 14.299 -7.506 2.519 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.333 -9.237 1.265 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.923 -9.234 3.618 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.747 -7.648 4.407 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.467 -8.252 3.328 1.00 2.46 H new ATOM 1549 N PHE B 25 11.641 -5.093 4.035 1.00 1.59 N ATOM 1550 CA PHE B 25 11.588 -4.346 5.287 1.00 1.85 C ATOM 1551 C PHE B 25 10.789 -5.072 6.360 1.00 2.01 C ATOM 1552 O PHE B 25 9.651 -5.476 6.129 1.00 2.00 O ATOM 1553 CB PHE B 25 10.970 -2.966 5.054 1.00 1.77 C ATOM 1554 CG PHE B 25 11.731 -2.101 4.088 1.00 1.55 C ATOM 1555 CD1 PHE B 25 12.974 -1.590 4.425 1.00 1.69 C ATOM 1556 CD2 PHE B 25 11.197 -1.788 2.849 1.00 1.98 C ATOM 1557 CE1 PHE B 25 13.668 -0.784 3.544 1.00 2.12 C ATOM 1558 CE2 PHE B 25 11.887 -0.982 1.965 1.00 2.46 C ATOM 1559 CZ PHE B 25 13.123 -0.479 2.313 1.00 2.49 C ATOM 0 H PHE B 25 10.732 -5.389 3.680 1.00 1.59 H new ATOM 0 HA PHE B 25 12.615 -4.246 5.639 1.00 1.85 H new ATOM 0 HB2 PHE B 25 9.953 -3.094 4.684 1.00 1.77 H new ATOM 0 HB3 PHE B 25 10.899 -2.447 6.010 1.00 1.77 H new ATOM 0 HD1 PHE B 25 13.405 -1.825 5.387 1.00 1.69 H new ATOM 0 HD2 PHE B 25 10.229 -2.179 2.571 1.00 1.98 H new ATOM 0 HE1 PHE B 25 14.637 -0.393 3.818 1.00 2.12 H new ATOM 0 HE2 PHE B 25 11.459 -0.746 1.002 1.00 2.46 H new ATOM 0 HZ PHE B 25 13.664 0.152 1.624 1.00 2.49 H new ATOM 1569 N ARG B 26 11.385 -5.223 7.536 1.00 2.36 N ATOM 1570 CA ARG B 26 10.700 -5.874 8.648 1.00 2.64 C ATOM 1571 C ARG B 26 10.167 -4.811 9.603 1.00 2.55 C ATOM 1572 O ARG B 26 10.432 -3.627 9.417 1.00 2.38 O ATOM 1573 CB ARG B 26 11.632 -6.839 9.384 1.00 3.25 C ATOM 1574 CG ARG B 26 12.463 -7.719 8.460 1.00 3.51 C ATOM 1575 CD ARG B 26 11.589 -8.551 7.535 1.00 4.14 C ATOM 1576 NE ARG B 26 10.733 -9.477 8.274 1.00 4.69 N ATOM 1577 CZ ARG B 26 9.838 -10.275 7.697 1.00 5.47 C ATOM 1578 NH1 ARG B 26 9.669 -10.247 6.382 1.00 5.83 N ATOM 1579 NH2 ARG B 26 9.110 -11.101 8.436 1.00 6.21 N ATOM 0 H ARG B 26 12.332 -4.907 7.745 1.00 2.36 H new ATOM 0 HA ARG B 26 9.868 -6.459 8.254 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.303 -6.265 10.023 1.00 3.25 H new ATOM 0 HB3 ARG B 26 11.037 -7.476 10.038 1.00 3.25 H new ATOM 0 HG2 ARG B 26 13.129 -7.094 7.865 1.00 3.51 H new ATOM 0 HG3 ARG B 26 13.093 -8.379 9.056 1.00 3.51 H new ATOM 0 HD2 ARG B 26 10.969 -7.889 6.930 1.00 4.14 H new ATOM 0 HD3 ARG B 26 12.221 -9.113 6.847 1.00 4.14 H new ATOM 0 HE ARG B 26 10.827 -9.514 9.289 1.00 4.69 H new ATOM 0 HH11 ARG B 26 10.226 -9.612 5.810 1.00 5.83 H new ATOM 0 HH12 ARG B 26 8.982 -10.860 5.943 1.00 5.83 H new ATOM 0 HH21 ARG B 26 9.236 -11.125 9.448 1.00 6.21 H new ATOM 0 HH22 ARG B 26 8.424 -11.712 7.993 1.00 6.21 H new ATOM 1593 N GLU B 27 9.414 -5.227 10.616 1.00 2.79 N ATOM 1594 CA GLU B 27 8.863 -4.281 11.586 1.00 2.80 C ATOM 1595 C GLU B 27 9.914 -3.930 12.637 1.00 3.17 C ATOM 1596 O GLU B 27 10.643 -4.796 13.124 1.00 3.57 O ATOM 1597 CB GLU B 27 7.615 -4.862 12.252 1.00 3.01 C ATOM 1598 CG GLU B 27 6.777 -3.828 12.986 1.00 2.98 C ATOM 1599 CD GLU B 27 5.498 -4.412 13.556 1.00 3.49 C ATOM 1600 OE1 GLU B 27 4.539 -4.609 12.782 1.00 3.87 O ATOM 1601 OE2 GLU B 27 5.458 -4.674 14.777 1.00 3.83 O ATOM 0 H GLU B 27 9.172 -6.203 10.788 1.00 2.79 H new ATOM 0 HA GLU B 27 8.579 -3.370 11.059 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.999 -5.343 11.492 1.00 3.01 H new ATOM 0 HB3 GLU B 27 7.917 -5.638 12.956 1.00 3.01 H new ATOM 0 HG2 GLU B 27 7.366 -3.395 13.794 1.00 2.98 H new ATOM 0 HG3 GLU B 27 6.528 -3.016 12.303 1.00 2.98 H new ATOM 1608 N GLY B 28 9.979 -2.641 12.977 1.00 3.14 N ATOM 1609 CA GLY B 28 10.967 -2.160 13.930 1.00 3.60 C ATOM 1610 C GLY B 28 12.274 -1.835 13.230 1.00 3.75 C ATOM 1611 O GLY B 28 13.340 -1.800 13.844 1.00 4.23 O ATOM 0 H GLY B 28 9.361 -1.919 12.606 1.00 3.14 H new ATOM 0 HA2 GLY B 28 10.589 -1.272 14.436 1.00 3.60 H new ATOM 0 HA3 GLY B 28 11.138 -2.915 14.697 1.00 3.60 H new ATOM 1615 N GLU B 29 12.160 -1.604 11.923 1.00 3.41 N ATOM 1616 CA GLU B 29 13.296 -1.312 11.053 1.00 3.61 C ATOM 1617 C GLU B 29 13.473 0.181 10.765 1.00 3.65 C ATOM 1618 O GLU B 29 12.713 1.028 11.236 1.00 3.39 O ATOM 1619 CB GLU B 29 13.171 -2.091 9.741 1.00 3.33 C ATOM 1620 CG GLU B 29 13.312 -3.596 9.912 1.00 3.45 C ATOM 1621 CD GLU B 29 14.676 -3.999 10.438 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.608 -4.146 9.619 1.00 4.19 O ATOM 1623 OE2 GLU B 29 14.813 -4.167 11.669 1.00 3.93 O ATOM 0 H GLU B 29 11.265 -1.615 11.434 1.00 3.41 H new ATOM 0 HA GLU B 29 14.188 -1.632 11.592 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.203 -1.874 9.290 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.933 -1.740 9.045 1.00 3.33 H new ATOM 0 HG2 GLU B 29 12.543 -3.954 10.597 1.00 3.45 H new ATOM 0 HG3 GLU B 29 13.138 -4.085 8.953 1.00 3.45 H new ATOM 1630 N ILE B 30 14.490 0.453 9.980 1.00 4.10 N ATOM 1631 CA ILE B 30 14.835 1.824 9.605 1.00 4.32 C ATOM 1632 C ILE B 30 15.133 1.917 8.113 1.00 4.27 C ATOM 1633 O ILE B 30 16.058 1.276 7.612 1.00 4.58 O ATOM 1634 CB ILE B 30 16.050 2.355 10.394 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.816 2.224 11.905 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.331 3.808 10.019 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.745 3.152 12.444 1.00 4.81 C ATOM 0 H ILE B 30 15.104 -0.257 9.581 1.00 4.10 H new ATOM 0 HA ILE B 30 13.970 2.440 9.849 1.00 4.32 H new ATOM 0 HB ILE B 30 16.920 1.754 10.132 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.539 1.195 12.132 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.752 2.424 12.426 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.191 4.170 10.583 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.543 3.874 8.952 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.460 4.419 10.254 1.00 5.23 H new ATOM 0 HD11 ILE B 30 14.639 3.000 13.518 1.00 4.81 H new ATOM 0 HD12 ILE B 30 15.029 4.186 12.251 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.797 2.938 11.951 1.00 4.81 H new ATOM 1649 N ILE B 31 14.338 2.717 7.411 1.00 3.95 N ATOM 1650 CA ILE B 31 14.492 2.890 5.970 1.00 3.95 C ATOM 1651 C ILE B 31 14.960 4.294 5.608 1.00 4.46 C ATOM 1652 O ILE B 31 14.474 5.282 6.158 1.00 4.64 O ATOM 1653 CB ILE B 31 13.163 2.619 5.236 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.535 1.314 5.732 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.385 2.576 3.728 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.247 0.956 5.023 1.00 2.59 C ATOM 0 H ILE B 31 13.576 3.259 7.819 1.00 3.95 H new ATOM 0 HA ILE B 31 15.249 2.171 5.656 1.00 3.95 H new ATOM 0 HB ILE B 31 12.473 3.434 5.454 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.251 0.503 5.600 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.341 1.397 6.801 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.437 2.384 3.226 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.786 3.532 3.392 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.091 1.781 3.487 1.00 3.48 H new ATOM 0 HD11 ILE B 31 10.858 0.020 5.425 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.515 1.749 5.176 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.439 0.840 3.956 1.00 2.59 H new ATOM 1668 N HIS B 32 15.911 4.372 4.678 1.00 4.75 N ATOM 1669 CA HIS B 32 16.415 5.651 4.195 1.00 5.28 C ATOM 1670 C HIS B 32 15.660 6.032 2.925 1.00 5.20 C ATOM 1671 O HIS B 32 15.613 5.256 1.971 1.00 5.08 O ATOM 1672 CB HIS B 32 17.919 5.567 3.923 1.00 5.69 C ATOM 1673 CG HIS B 32 18.473 6.767 3.217 1.00 6.15 C ATOM 1674 ND1 HIS B 32 19.079 7.816 3.874 1.00 6.55 N ATOM 1675 CD2 HIS B 32 18.515 7.078 1.899 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.470 8.719 2.993 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.139 8.294 1.788 1.00 7.14 N ATOM 0 H HIS B 32 16.348 3.559 4.244 1.00 4.75 H new ATOM 0 HA HIS B 32 16.256 6.416 4.955 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.444 5.440 4.870 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.122 4.679 3.324 1.00 5.69 H new ATOM 0 HD1 HIS B 32 19.206 7.884 4.884 1.00 6.55 H new ATOM 0 HD2 HIS B 32 18.129 6.480 1.087 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.974 9.647 3.220 1.00 7.12 H new ATOM 1686 N LEU B 33 15.077 7.226 2.913 1.00 5.34 N ATOM 1687 CA LEU B 33 14.294 7.687 1.766 1.00 5.40 C ATOM 1688 C LEU B 33 15.191 8.079 0.593 1.00 5.86 C ATOM 1689 O LEU B 33 15.848 9.121 0.615 1.00 6.33 O ATOM 1690 CB LEU B 33 13.411 8.872 2.174 1.00 5.56 C ATOM 1691 CG LEU B 33 12.245 9.183 1.227 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.378 10.295 1.799 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.755 9.564 -0.157 1.00 5.63 C ATOM 0 H LEU B 33 15.130 7.893 3.682 1.00 5.34 H new ATOM 0 HA LEU B 33 13.662 6.861 1.440 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.007 8.677 3.167 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.038 9.760 2.254 1.00 5.56 H new ATOM 0 HG LEU B 33 11.638 8.283 1.129 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.555 10.503 1.115 1.00 5.60 H new ATOM 0 HD12 LEU B 33 10.978 9.984 2.764 1.00 5.60 H new ATOM 0 HD13 LEU B 33 11.979 11.195 1.928 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.909 9.780 -0.810 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.389 10.447 -0.081 1.00 5.63 H new ATOM 0 HD23 LEU B 33 13.332 8.738 -0.572 1.00 5.63 H new ATOM 1705 N ILE B 34 15.212 7.223 -0.425 1.00 5.75 N ATOM 1706 CA ILE B 34 15.996 7.472 -1.631 1.00 6.18 C ATOM 1707 C ILE B 34 15.257 8.426 -2.572 1.00 6.46 C ATOM 1708 O ILE B 34 15.703 9.549 -2.810 1.00 6.97 O ATOM 1709 CB ILE B 34 16.304 6.164 -2.396 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.163 5.222 -1.547 1.00 5.72 C ATOM 1711 CG2 ILE B 34 16.999 6.469 -3.718 1.00 6.44 C ATOM 1712 CD1 ILE B 34 17.456 3.899 -2.227 1.00 6.06 C ATOM 0 H ILE B 34 14.692 6.346 -0.438 1.00 5.75 H new ATOM 0 HA ILE B 34 16.935 7.921 -1.307 1.00 6.18 H new ATOM 0 HB ILE B 34 15.358 5.665 -2.606 1.00 5.96 H new ATOM 0 HG12 ILE B 34 18.105 5.716 -1.309 1.00 5.72 H new ATOM 0 HG13 ILE B 34 16.655 5.032 -0.602 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.208 5.537 -4.243 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.352 7.095 -4.333 1.00 6.44 H new ATOM 0 HG23 ILE B 34 17.934 6.994 -3.525 1.00 6.44 H new ATOM 0 HD11 ILE B 34 18.068 3.280 -1.571 1.00 6.06 H new ATOM 0 HD12 ILE B 34 16.519 3.384 -2.441 1.00 6.06 H new ATOM 0 HD13 ILE B 34 17.992 4.080 -3.159 1.00 6.06 H new ATOM 1724 N SER B 35 14.124 7.963 -3.096 1.00 6.18 N ATOM 1725 CA SER B 35 13.317 8.760 -4.022 1.00 6.50 C ATOM 1726 C SER B 35 11.840 8.367 -3.976 1.00 6.25 C ATOM 1727 O SER B 35 11.495 7.189 -4.075 1.00 5.79 O ATOM 1728 CB SER B 35 13.847 8.605 -5.450 1.00 6.64 C ATOM 1729 OG SER B 35 15.172 9.097 -5.563 1.00 7.03 O ATOM 0 H SER B 35 13.742 7.039 -2.896 1.00 6.18 H new ATOM 0 HA SER B 35 13.396 9.801 -3.710 1.00 6.50 H new ATOM 0 HB2 SER B 35 13.821 7.554 -5.738 1.00 6.64 H new ATOM 0 HB3 SER B 35 13.197 9.141 -6.142 1.00 6.64 H new ATOM 0 HG SER B 35 15.485 8.984 -6.485 1.00 7.03 H new ATOM 1735 N LYS B 36 10.975 9.370 -3.825 1.00 6.58 N ATOM 1736 CA LYS B 36 9.530 9.146 -3.777 1.00 6.47 C ATOM 1737 C LYS B 36 8.928 9.066 -5.179 1.00 6.70 C ATOM 1738 O LYS B 36 7.708 8.992 -5.332 1.00 6.67 O ATOM 1739 CB LYS B 36 8.845 10.264 -2.984 1.00 6.78 C ATOM 1740 CG LYS B 36 8.882 10.050 -1.478 1.00 6.60 C ATOM 1741 CD LYS B 36 8.268 11.221 -0.725 1.00 6.92 C ATOM 1742 CE LYS B 36 6.808 11.430 -1.098 1.00 7.04 C ATOM 1743 NZ LYS B 36 6.130 12.376 -0.170 1.00 7.52 N ATOM 0 H LYS B 36 11.251 10.348 -3.734 1.00 6.58 H new ATOM 0 HA LYS B 36 9.361 8.191 -3.279 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.326 11.213 -3.220 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.807 10.344 -3.306 1.00 6.78 H new ATOM 0 HG2 LYS B 36 8.345 9.135 -1.228 1.00 6.60 H new ATOM 0 HG3 LYS B 36 9.914 9.912 -1.156 1.00 6.60 H new ATOM 0 HD2 LYS B 36 8.347 11.045 0.348 1.00 6.92 H new ATOM 0 HD3 LYS B 36 8.832 12.128 -0.942 1.00 6.92 H new ATOM 0 HE2 LYS B 36 6.744 11.812 -2.117 1.00 7.04 H new ATOM 0 HE3 LYS B 36 6.289 10.472 -1.084 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 5.137 12.492 -0.457 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 6.168 12.000 0.799 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 6.610 13.298 -0.202 1.00 7.52 H new ATOM 1757 N GLU B 37 9.789 9.073 -6.205 1.00 7.01 N ATOM 1758 CA GLU B 37 9.334 8.984 -7.589 1.00 7.29 C ATOM 1759 C GLU B 37 9.947 7.764 -8.268 1.00 7.12 C ATOM 1760 O GLU B 37 11.070 7.824 -8.772 1.00 7.28 O ATOM 1761 CB GLU B 37 9.716 10.258 -8.352 1.00 7.94 C ATOM 1762 CG GLU B 37 9.160 10.313 -9.767 1.00 8.15 C ATOM 1763 CD GLU B 37 9.558 11.579 -10.502 1.00 8.62 C ATOM 1764 OE1 GLU B 37 8.838 12.593 -10.373 1.00 8.93 O ATOM 1765 OE2 GLU B 37 10.588 11.557 -11.206 1.00 8.92 O ATOM 0 H GLU B 37 10.801 9.139 -6.098 1.00 7.01 H new ATOM 0 HA GLU B 37 8.249 8.881 -7.595 1.00 7.29 H new ATOM 0 HB2 GLU B 37 9.358 11.125 -7.796 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.803 10.333 -8.395 1.00 7.94 H new ATOM 0 HG2 GLU B 37 9.513 9.447 -10.326 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.073 10.246 -9.729 1.00 8.15 H new ATOM 1772 N THR B 38 9.210 6.654 -8.270 1.00 6.83 N ATOM 1773 CA THR B 38 9.690 5.415 -8.871 1.00 6.67 C ATOM 1774 C THR B 38 9.014 5.139 -10.213 1.00 7.05 C ATOM 1775 O THR B 38 9.321 4.148 -10.879 1.00 7.02 O ATOM 1776 CB THR B 38 9.437 4.224 -7.927 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.038 4.114 -7.642 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.207 4.392 -6.625 1.00 5.76 C ATOM 0 H THR B 38 8.278 6.590 -7.861 1.00 6.83 H new ATOM 0 HA THR B 38 10.760 5.534 -9.039 1.00 6.67 H new ATOM 0 HB THR B 38 9.782 3.317 -8.424 1.00 6.06 H new ATOM 0 HG1 THR B 38 7.670 3.333 -8.106 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.013 3.539 -5.975 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.274 4.450 -6.838 1.00 5.76 H new ATOM 0 HG23 THR B 38 9.886 5.308 -6.128 1.00 5.76 H new ATOM 1786 N GLY B 39 8.090 6.017 -10.601 1.00 7.47 N ATOM 1787 CA GLY B 39 7.389 5.856 -11.863 1.00 7.90 C ATOM 1788 C GLY B 39 6.080 5.105 -11.707 1.00 7.94 C ATOM 1789 O GLY B 39 5.335 4.932 -12.672 1.00 8.42 O ATOM 0 H GLY B 39 7.815 6.838 -10.062 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.192 6.838 -12.294 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.029 5.322 -12.565 1.00 7.90 H new ATOM 1793 N GLU B 40 5.806 4.657 -10.481 1.00 7.48 N ATOM 1794 CA GLU B 40 4.584 3.919 -10.177 1.00 7.53 C ATOM 1795 C GLU B 40 3.959 4.431 -8.884 1.00 7.35 C ATOM 1796 O GLU B 40 4.612 4.467 -7.839 1.00 6.94 O ATOM 1797 CB GLU B 40 4.888 2.423 -10.050 1.00 7.20 C ATOM 1798 CG GLU B 40 5.563 1.830 -11.283 1.00 7.44 C ATOM 1799 CD GLU B 40 5.786 0.330 -11.177 1.00 7.63 C ATOM 1800 OE1 GLU B 40 6.017 -0.163 -10.052 1.00 7.73 O ATOM 1801 OE2 GLU B 40 5.736 -0.352 -12.224 1.00 7.96 O ATOM 0 H GLU B 40 6.420 4.795 -9.679 1.00 7.48 H new ATOM 0 HA GLU B 40 3.878 4.072 -10.993 1.00 7.53 H new ATOM 0 HB2 GLU B 40 5.529 2.263 -9.183 1.00 7.20 H new ATOM 0 HB3 GLU B 40 3.958 1.886 -9.862 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.951 2.039 -12.161 1.00 7.44 H new ATOM 0 HG3 GLU B 40 6.522 2.324 -11.438 1.00 7.44 H new ATOM 1808 N ALA B 41 2.695 4.836 -8.962 1.00 7.70 N ATOM 1809 CA ALA B 41 1.974 5.340 -7.797 1.00 7.61 C ATOM 1810 C ALA B 41 1.887 4.275 -6.709 1.00 7.15 C ATOM 1811 O ALA B 41 1.594 3.112 -6.984 1.00 7.30 O ATOM 1812 CB ALA B 41 0.579 5.795 -8.201 1.00 8.20 C ATOM 0 H ALA B 41 2.147 4.825 -9.822 1.00 7.70 H new ATOM 0 HA ALA B 41 2.523 6.192 -7.396 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.050 6.169 -7.324 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.656 6.589 -8.944 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.030 4.954 -8.624 1.00 8.20 H new ATOM 1818 N GLY B 42 2.153 4.692 -5.471 1.00 6.68 N ATOM 1819 CA GLY B 42 2.121 3.775 -4.345 1.00 6.22 C ATOM 1820 C GLY B 42 3.453 3.078 -4.128 1.00 5.64 C ATOM 1821 O GLY B 42 3.578 2.237 -3.237 1.00 5.21 O ATOM 0 H GLY B 42 2.391 5.654 -5.229 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.849 4.322 -3.442 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.345 3.027 -4.511 1.00 6.22 H new ATOM 1825 N TRP B 43 4.451 3.429 -4.942 1.00 5.67 N ATOM 1826 CA TRP B 43 5.778 2.823 -4.839 1.00 5.17 C ATOM 1827 C TRP B 43 6.846 3.868 -4.525 1.00 5.12 C ATOM 1828 O TRP B 43 7.029 4.829 -5.272 1.00 5.51 O ATOM 1829 CB TRP B 43 6.150 2.124 -6.150 1.00 5.28 C ATOM 1830 CG TRP B 43 5.552 0.761 -6.314 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.395 0.445 -6.963 1.00 5.83 C ATOM 1832 CD2 TRP B 43 6.095 -0.475 -5.835 1.00 4.91 C ATOM 1833 NE1 TRP B 43 4.184 -0.911 -6.914 1.00 5.80 N ATOM 1834 CE2 TRP B 43 5.212 -1.497 -6.225 1.00 5.25 C ATOM 1835 CE3 TRP B 43 7.239 -0.816 -5.112 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 5.440 -2.835 -5.918 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 7.464 -2.144 -4.810 1.00 4.21 C ATOM 1838 CH2 TRP B 43 6.568 -3.140 -5.212 1.00 4.58 C ATOM 0 H TRP B 43 4.364 4.129 -5.679 1.00 5.67 H new ATOM 0 HA TRP B 43 5.739 2.098 -4.026 1.00 5.17 H new ATOM 0 HB2 TRP B 43 5.833 2.750 -6.984 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.235 2.041 -6.208 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.741 1.157 -7.445 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.390 -1.402 -7.324 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.936 -0.054 -4.794 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 4.749 -3.605 -6.227 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 8.348 -2.419 -4.253 1.00 4.21 H new ATOM 0 HH2 TRP B 43 6.772 -4.170 -4.959 1.00 4.58 H new ATOM 1849 N TRP B 44 7.550 3.665 -3.404 1.00 4.72 N ATOM 1850 CA TRP B 44 8.630 4.554 -2.983 1.00 4.75 C ATOM 1851 C TRP B 44 9.949 3.797 -3.064 1.00 4.41 C ATOM 1852 O TRP B 44 9.950 2.579 -3.233 1.00 3.96 O ATOM 1853 CB TRP B 44 8.407 5.026 -1.542 1.00 4.63 C ATOM 1854 CG TRP B 44 7.381 6.110 -1.396 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.558 6.610 -2.364 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.076 6.831 -0.197 1.00 5.06 C ATOM 1857 NE1 TRP B 44 5.762 7.599 -1.839 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.059 7.751 -0.510 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.565 6.784 1.112 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.523 8.620 0.438 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.032 7.646 2.052 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.020 8.552 1.713 1.00 5.40 C ATOM 0 H TRP B 44 7.385 2.883 -2.770 1.00 4.72 H new ATOM 0 HA TRP B 44 8.650 5.426 -3.637 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.104 4.172 -0.936 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.355 5.383 -1.139 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.536 6.277 -3.391 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.063 8.134 -2.355 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.344 6.087 1.384 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 4.744 9.322 0.177 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.403 7.620 3.066 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.623 9.210 2.472 1.00 5.40 H new ATOM 1873 N LYS B 45 11.069 4.506 -2.944 1.00 4.69 N ATOM 1874 CA LYS B 45 12.375 3.859 -3.004 1.00 4.50 C ATOM 1875 C LYS B 45 13.198 4.190 -1.764 1.00 4.49 C ATOM 1876 O LYS B 45 13.329 5.355 -1.387 1.00 4.93 O ATOM 1877 CB LYS B 45 13.131 4.286 -4.264 1.00 4.91 C ATOM 1878 CG LYS B 45 14.285 3.363 -4.622 1.00 4.77 C ATOM 1879 CD LYS B 45 15.051 3.864 -5.836 1.00 5.23 C ATOM 1880 CE LYS B 45 16.118 2.872 -6.275 1.00 5.18 C ATOM 1881 NZ LYS B 45 17.114 2.610 -5.200 1.00 5.33 N ATOM 0 H LYS B 45 11.098 5.516 -2.806 1.00 4.69 H new ATOM 0 HA LYS B 45 12.216 2.781 -3.040 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.434 4.324 -5.101 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.515 5.296 -4.123 1.00 4.91 H new ATOM 0 HG2 LYS B 45 14.963 3.282 -3.772 1.00 4.77 H new ATOM 0 HG3 LYS B 45 13.902 2.362 -4.821 1.00 4.77 H new ATOM 0 HD2 LYS B 45 14.357 4.040 -6.658 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.517 4.821 -5.603 1.00 5.23 H new ATOM 0 HE2 LYS B 45 15.644 1.935 -6.566 1.00 5.18 H new ATOM 0 HE3 LYS B 45 16.630 3.257 -7.157 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 17.762 1.855 -5.504 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 17.657 3.477 -5.011 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 16.620 2.315 -4.334 1.00 5.33 H new ATOM 1895 N GLY B 46 13.740 3.151 -1.133 1.00 4.06 N ATOM 1896 CA GLY B 46 14.547 3.343 0.059 1.00 4.14 C ATOM 1897 C GLY B 46 15.783 2.465 0.065 1.00 4.03 C ATOM 1898 O GLY B 46 15.955 1.630 -0.824 1.00 3.73 O ATOM 0 H GLY B 46 13.634 2.180 -1.426 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.847 4.389 0.128 1.00 4.14 H new ATOM 0 HA3 GLY B 46 13.945 3.125 0.941 1.00 4.14 H new ATOM 1902 N GLU B 47 16.647 2.647 1.067 1.00 4.35 N ATOM 1903 CA GLU B 47 17.868 1.850 1.172 1.00 4.42 C ATOM 1904 C GLU B 47 17.958 1.179 2.536 1.00 4.29 C ATOM 1905 O GLU B 47 17.740 1.808 3.573 1.00 4.48 O ATOM 1906 CB GLU B 47 19.110 2.710 0.926 1.00 5.05 C ATOM 1907 CG GLU B 47 20.382 1.899 0.730 1.00 5.29 C ATOM 1908 CD GLU B 47 21.597 2.770 0.477 1.00 5.65 C ATOM 1909 OE1 GLU B 47 21.859 3.096 -0.701 1.00 6.02 O ATOM 1910 OE2 GLU B 47 22.286 3.128 1.456 1.00 5.74 O ATOM 0 H GLU B 47 16.524 3.334 1.811 1.00 4.35 H new ATOM 0 HA GLU B 47 17.827 1.078 0.404 1.00 4.42 H new ATOM 0 HB2 GLU B 47 18.944 3.329 0.044 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.246 3.386 1.770 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.557 1.286 1.614 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.248 1.217 -0.110 1.00 5.29 H new ATOM 1917 N LEU B 48 18.281 -0.109 2.512 1.00 4.02 N ATOM 1918 CA LEU B 48 18.438 -0.906 3.720 1.00 3.99 C ATOM 1919 C LEU B 48 19.787 -1.623 3.698 1.00 4.21 C ATOM 1920 O LEU B 48 20.484 -1.588 2.695 1.00 4.01 O ATOM 1921 CB LEU B 48 17.281 -1.896 3.888 1.00 3.43 C ATOM 1922 CG LEU B 48 17.220 -2.629 5.235 1.00 3.46 C ATOM 1923 CD1 LEU B 48 17.121 -1.640 6.388 1.00 3.78 C ATOM 1924 CD2 LEU B 48 16.044 -3.594 5.259 1.00 2.98 C ATOM 0 H LEU B 48 18.442 -0.631 1.650 1.00 4.02 H new ATOM 0 HA LEU B 48 18.415 -0.239 4.582 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.344 -1.358 3.746 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.346 -2.640 3.094 1.00 3.43 H new ATOM 0 HG LEU B 48 18.142 -3.198 5.356 1.00 3.46 H new ATOM 0 HD11 LEU B 48 17.079 -2.184 7.332 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.994 -0.988 6.384 1.00 3.78 H new ATOM 0 HD13 LEU B 48 16.219 -1.039 6.275 1.00 3.78 H new ATOM 0 HD21 LEU B 48 16.014 -4.107 6.220 1.00 2.98 H new ATOM 0 HD22 LEU B 48 15.116 -3.041 5.113 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.159 -4.327 4.460 1.00 2.98 H new ATOM 1936 N ASN B 49 20.132 -2.241 4.831 1.00 4.70 N ATOM 1937 CA ASN B 49 21.413 -2.941 5.035 1.00 5.05 C ATOM 1938 C ASN B 49 22.183 -3.303 3.747 1.00 5.24 C ATOM 1939 O ASN B 49 22.320 -4.480 3.405 1.00 5.39 O ATOM 1940 CB ASN B 49 21.151 -4.227 5.827 1.00 4.80 C ATOM 1941 CG ASN B 49 20.528 -3.964 7.188 1.00 4.86 C ATOM 1942 OD1 ASN B 49 20.885 -2.841 7.802 1.00 5.32 O flip ATOM 1943 ND2 ASN B 49 19.736 -4.765 7.686 1.00 4.62 N flip ATOM 0 H ASN B 49 19.522 -2.272 5.648 1.00 4.70 H new ATOM 0 HA ASN B 49 22.049 -2.237 5.571 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.492 -4.876 5.250 1.00 4.80 H new ATOM 0 HB3 ASN B 49 22.090 -4.764 5.960 1.00 4.80 H new ATOM 0 HD21 ASN B 49 19.487 -5.616 7.182 1.00 4.62 H new ATOM 0 HD22 ASN B 49 19.329 -4.577 8.602 1.00 4.62 H new ATOM 1950 N GLY B 50 22.670 -2.280 3.038 1.00 5.30 N ATOM 1951 CA GLY B 50 23.475 -2.503 1.838 1.00 5.53 C ATOM 1952 C GLY B 50 22.679 -2.719 0.555 1.00 5.10 C ATOM 1953 O GLY B 50 23.266 -2.732 -0.529 1.00 5.29 O ATOM 0 H GLY B 50 22.522 -1.299 3.273 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.135 -1.647 1.698 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.112 -3.372 2.003 1.00 5.53 H new ATOM 1957 N LYS B 51 21.363 -2.891 0.654 1.00 4.57 N ATOM 1958 CA LYS B 51 20.535 -3.093 -0.538 1.00 4.17 C ATOM 1959 C LYS B 51 19.647 -1.879 -0.806 1.00 3.96 C ATOM 1960 O LYS B 51 19.320 -1.120 0.103 1.00 3.78 O ATOM 1961 CB LYS B 51 19.671 -4.349 -0.386 1.00 3.78 C ATOM 1962 CG LYS B 51 20.436 -5.654 -0.551 1.00 4.06 C ATOM 1963 CD LYS B 51 21.432 -5.877 0.580 1.00 4.39 C ATOM 1964 CE LYS B 51 22.121 -7.227 0.459 1.00 4.78 C ATOM 1965 NZ LYS B 51 23.132 -7.433 1.532 1.00 5.33 N ATOM 0 H LYS B 51 20.849 -2.895 1.535 1.00 4.57 H new ATOM 0 HA LYS B 51 21.204 -3.223 -1.388 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.202 -4.337 0.598 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.868 -4.316 -1.122 1.00 3.78 H new ATOM 0 HG2 LYS B 51 19.732 -6.486 -0.584 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.965 -5.646 -1.504 1.00 4.06 H new ATOM 0 HD2 LYS B 51 22.180 -5.084 0.569 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.916 -5.816 1.538 1.00 4.39 H new ATOM 0 HE2 LYS B 51 21.375 -8.021 0.506 1.00 4.78 H new ATOM 0 HE3 LYS B 51 22.605 -7.301 -0.515 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 23.579 -8.365 1.414 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 23.858 -6.691 1.472 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 22.667 -7.388 2.461 1.00 5.33 H new ATOM 1979 N GLU B 52 19.273 -1.707 -2.072 1.00 4.08 N ATOM 1980 CA GLU B 52 18.400 -0.614 -2.501 1.00 4.05 C ATOM 1981 C GLU B 52 17.234 -1.193 -3.298 1.00 3.71 C ATOM 1982 O GLU B 52 17.416 -2.127 -4.082 1.00 3.93 O ATOM 1983 CB GLU B 52 19.172 0.405 -3.346 1.00 4.59 C ATOM 1984 CG GLU B 52 19.814 -0.189 -4.592 1.00 4.83 C ATOM 1985 CD GLU B 52 20.592 0.837 -5.394 1.00 5.32 C ATOM 1986 OE1 GLU B 52 19.965 1.563 -6.196 1.00 5.79 O ATOM 1987 OE2 GLU B 52 21.826 0.916 -5.222 1.00 5.49 O ATOM 0 H GLU B 52 19.567 -2.322 -2.831 1.00 4.08 H new ATOM 0 HA GLU B 52 18.021 -0.094 -1.621 1.00 4.05 H new ATOM 0 HB2 GLU B 52 18.493 1.204 -3.644 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.948 0.860 -2.730 1.00 4.59 H new ATOM 0 HG2 GLU B 52 20.482 -0.999 -4.301 1.00 4.83 H new ATOM 0 HG3 GLU B 52 19.039 -0.626 -5.222 1.00 4.83 H new ATOM 1994 N GLY B 53 16.034 -0.641 -3.098 1.00 3.32 N ATOM 1995 CA GLY B 53 14.878 -1.132 -3.827 1.00 3.12 C ATOM 1996 C GLY B 53 13.624 -0.313 -3.588 1.00 3.18 C ATOM 1997 O GLY B 53 13.660 0.704 -2.893 1.00 3.35 O ATOM 0 H GLY B 53 15.847 0.126 -2.453 1.00 3.32 H new ATOM 0 HA2 GLY B 53 15.104 -1.134 -4.893 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.688 -2.166 -3.539 1.00 3.12 H new ATOM 2001 N VAL B 54 12.511 -0.767 -4.168 1.00 3.17 N ATOM 2002 CA VAL B 54 11.233 -0.071 -4.041 1.00 3.38 C ATOM 2003 C VAL B 54 10.230 -0.909 -3.251 1.00 3.02 C ATOM 2004 O VAL B 54 10.319 -2.138 -3.235 1.00 2.70 O ATOM 2005 CB VAL B 54 10.649 0.263 -5.429 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.534 1.269 -6.151 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.484 -1.003 -6.262 1.00 3.70 C ATOM 0 H VAL B 54 12.471 -1.616 -4.731 1.00 3.17 H new ATOM 0 HA VAL B 54 11.417 0.858 -3.502 1.00 3.38 H new ATOM 0 HB VAL B 54 9.664 0.709 -5.289 1.00 3.83 H new ATOM 0 HG11 VAL B 54 11.107 1.493 -7.129 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.597 2.185 -5.564 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.532 0.850 -6.278 1.00 4.30 H new ATOM 0 HG21 VAL B 54 10.071 -0.746 -7.237 1.00 3.70 H new ATOM 0 HG22 VAL B 54 11.455 -1.481 -6.394 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.808 -1.689 -5.751 1.00 3.70 H new ATOM 2017 N PHE B 55 9.279 -0.240 -2.586 1.00 3.13 N ATOM 2018 CA PHE B 55 8.269 -0.950 -1.803 1.00 2.90 C ATOM 2019 C PHE B 55 6.859 -0.376 -2.009 1.00 3.35 C ATOM 2020 O PHE B 55 6.678 0.838 -2.106 1.00 3.72 O ATOM 2021 CB PHE B 55 8.637 -0.915 -0.318 1.00 2.46 C ATOM 2022 CG PHE B 55 8.659 0.466 0.276 1.00 2.71 C ATOM 2023 CD1 PHE B 55 9.798 1.252 0.197 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.541 0.975 0.919 1.00 2.88 C ATOM 2025 CE1 PHE B 55 9.822 2.519 0.747 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.559 2.242 1.471 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.701 3.014 1.384 1.00 3.42 C ATOM 0 H PHE B 55 9.191 0.776 -2.576 1.00 3.13 H new ATOM 0 HA PHE B 55 8.253 -1.982 -2.155 1.00 2.90 H new ATOM 0 HB2 PHE B 55 7.925 -1.526 0.236 1.00 2.46 H new ATOM 0 HB3 PHE B 55 9.618 -1.371 -0.187 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.677 0.869 -0.300 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.646 0.375 0.989 1.00 2.88 H new ATOM 0 HE1 PHE B 55 10.716 3.121 0.679 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.682 2.628 1.969 1.00 3.20 H new ATOM 0 HZ PHE B 55 8.717 4.005 1.814 1.00 3.42 H new ATOM 2037 N PRO B 56 5.845 -1.268 -2.073 1.00 3.43 N ATOM 2038 CA PRO B 56 4.438 -0.911 -2.242 1.00 3.90 C ATOM 2039 C PRO B 56 3.725 -0.825 -0.900 1.00 3.87 C ATOM 2040 O PRO B 56 4.308 -1.114 0.144 1.00 3.45 O ATOM 2041 CB PRO B 56 3.897 -2.085 -3.044 1.00 3.97 C ATOM 2042 CG PRO B 56 4.698 -3.264 -2.587 1.00 3.68 C ATOM 2043 CD PRO B 56 5.992 -2.732 -2.001 1.00 3.17 C ATOM 0 HA PRO B 56 4.298 0.060 -2.718 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.833 -2.234 -2.858 1.00 3.97 H new ATOM 0 HB3 PRO B 56 4.013 -1.919 -4.115 1.00 3.97 H new ATOM 0 HG2 PRO B 56 4.146 -3.838 -1.842 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.902 -3.936 -3.420 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.132 -3.068 -0.974 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.857 -3.074 -2.569 1.00 3.17 H new ATOM 2051 N ASP B 57 2.459 -0.396 -0.950 1.00 4.36 N ATOM 2052 CA ASP B 57 1.599 -0.350 0.232 1.00 4.47 C ATOM 2053 C ASP B 57 1.890 0.787 1.196 1.00 4.41 C ATOM 2054 O ASP B 57 1.093 1.025 2.105 1.00 4.40 O ATOM 2055 CB ASP B 57 1.726 -1.667 1.001 1.00 5.09 C ATOM 2056 CG ASP B 57 1.407 -2.875 0.141 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.211 -3.108 -0.133 1.00 5.85 O ATOM 2058 OD2 ASP B 57 2.351 -3.587 -0.259 1.00 5.83 O ATOM 0 H ASP B 57 2.007 -0.074 -1.806 1.00 4.36 H new ATOM 0 HA ASP B 57 0.593 -0.183 -0.152 1.00 4.47 H new ATOM 0 HB2 ASP B 57 2.740 -1.760 1.391 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.055 -1.649 1.860 1.00 5.09 H new ATOM 2063 N ASN B 58 2.996 1.493 1.031 1.00 4.46 N ATOM 2064 CA ASN B 58 3.353 2.555 1.959 1.00 4.51 C ATOM 2065 C ASN B 58 3.416 1.975 3.372 1.00 3.97 C ATOM 2066 O ASN B 58 2.507 2.162 4.183 1.00 4.05 O ATOM 2067 CB ASN B 58 2.352 3.715 1.884 1.00 4.96 C ATOM 2068 CG ASN B 58 2.455 4.485 0.578 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.529 4.585 -0.016 1.00 5.40 O ATOM 2070 ND2 ASN B 58 1.333 5.034 0.123 1.00 5.67 N ATOM 0 H ASN B 58 3.659 1.352 0.269 1.00 4.46 H new ATOM 0 HA ASN B 58 4.329 2.957 1.688 1.00 4.51 H new ATOM 0 HB2 ASN B 58 1.340 3.326 1.994 1.00 4.96 H new ATOM 0 HB3 ASN B 58 2.525 4.395 2.718 1.00 4.96 H new ATOM 0 HD21 ASN B 58 1.341 5.562 -0.750 1.00 5.67 H new ATOM 0 HD22 ASN B 58 0.464 4.927 0.646 1.00 5.67 H new ATOM 2077 N PHE B 59 4.508 1.260 3.643 1.00 3.50 N ATOM 2078 CA PHE B 59 4.709 0.610 4.937 1.00 3.01 C ATOM 2079 C PHE B 59 5.652 1.410 5.824 1.00 2.75 C ATOM 2080 O PHE B 59 6.051 0.936 6.888 1.00 2.44 O ATOM 2081 CB PHE B 59 5.287 -0.798 4.741 1.00 2.72 C ATOM 2082 CG PHE B 59 4.293 -1.817 4.259 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.118 -2.047 4.958 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.541 -2.558 3.113 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.210 -2.992 4.525 1.00 3.86 C ATOM 2086 CE2 PHE B 59 3.637 -3.508 2.677 1.00 3.79 C ATOM 2087 CZ PHE B 59 2.470 -3.724 3.383 1.00 3.89 C ATOM 0 H PHE B 59 5.270 1.116 2.980 1.00 3.50 H new ATOM 0 HA PHE B 59 3.736 0.550 5.424 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.108 -0.744 4.027 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.709 -1.139 5.686 1.00 2.72 H new ATOM 0 HD1 PHE B 59 2.910 -1.479 5.853 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.451 -2.391 2.555 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.298 -3.159 5.078 1.00 3.86 H new ATOM 0 HE2 PHE B 59 3.843 -4.081 1.785 1.00 3.79 H new ATOM 0 HZ PHE B 59 1.761 -4.465 3.043 1.00 3.89 H new ATOM 2097 N ALA B 60 6.010 2.617 5.399 1.00 3.02 N ATOM 2098 CA ALA B 60 6.930 3.435 6.175 1.00 3.01 C ATOM 2099 C ALA B 60 6.495 4.895 6.254 1.00 3.51 C ATOM 2100 O ALA B 60 6.040 5.472 5.266 1.00 3.89 O ATOM 2101 CB ALA B 60 8.328 3.335 5.585 1.00 2.92 C ATOM 0 H ALA B 60 5.682 3.045 4.533 1.00 3.02 H new ATOM 0 HA ALA B 60 6.928 3.049 7.194 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.014 3.949 6.169 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.660 2.297 5.609 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.314 3.687 4.554 1.00 2.92 H new ATOM 2107 N VAL B 61 6.639 5.481 7.440 1.00 3.59 N ATOM 2108 CA VAL B 61 6.262 6.872 7.665 1.00 4.08 C ATOM 2109 C VAL B 61 7.484 7.737 7.956 1.00 4.32 C ATOM 2110 O VAL B 61 8.281 7.415 8.838 1.00 4.19 O ATOM 2111 CB VAL B 61 5.251 7.002 8.827 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.820 6.423 10.118 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.837 8.455 9.023 1.00 4.64 C ATOM 0 H VAL B 61 7.016 5.011 8.263 1.00 3.59 H new ATOM 0 HA VAL B 61 5.790 7.224 6.748 1.00 4.08 H new ATOM 0 HB VAL B 61 4.363 6.426 8.564 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.087 6.528 10.918 1.00 3.91 H new ATOM 0 HG12 VAL B 61 6.050 5.367 9.973 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.730 6.959 10.387 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.125 8.523 9.846 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.717 9.056 9.254 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.373 8.827 8.110 1.00 4.64 H new ATOM 2123 N GLN B 62 7.637 8.833 7.207 1.00 4.79 N ATOM 2124 CA GLN B 62 8.768 9.735 7.402 1.00 5.14 C ATOM 2125 C GLN B 62 8.842 10.193 8.856 1.00 5.36 C ATOM 2126 O GLN B 62 8.013 10.982 9.313 1.00 5.56 O ATOM 2127 CB GLN B 62 8.656 10.946 6.471 1.00 5.63 C ATOM 2128 CG GLN B 62 9.856 11.880 6.539 1.00 6.02 C ATOM 2129 CD GLN B 62 9.747 13.040 5.569 1.00 6.30 C ATOM 2130 OE1 GLN B 62 9.207 14.094 5.902 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.260 12.850 4.360 1.00 6.72 N ATOM 0 H GLN B 62 6.995 9.113 6.466 1.00 4.79 H new ATOM 0 HA GLN B 62 9.683 9.194 7.160 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.536 10.596 5.446 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.756 11.506 6.724 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.953 12.267 7.553 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.764 11.316 6.325 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.699 11.959 4.126 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.215 13.595 3.664 1.00 6.72 H new ATOM 2140 N ILE B 63 9.837 9.687 9.579 1.00 5.39 N ATOM 2141 CA ILE B 63 10.028 10.042 10.980 1.00 5.68 C ATOM 2142 C ILE B 63 10.901 11.287 11.113 1.00 6.23 C ATOM 2143 O ILE B 63 10.679 12.121 11.992 1.00 6.54 O ATOM 2144 CB ILE B 63 10.670 8.885 11.775 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.986 8.446 11.122 1.00 5.23 C ATOM 2146 CG2 ILE B 63 9.702 7.713 11.876 1.00 5.71 C ATOM 2147 CD1 ILE B 63 12.676 7.307 11.844 1.00 5.25 C ATOM 0 H ILE B 63 10.525 9.028 9.215 1.00 5.39 H new ATOM 0 HA ILE B 63 9.040 10.246 11.394 1.00 5.68 H new ATOM 0 HB ILE B 63 10.892 9.238 12.782 1.00 5.55 H new ATOM 0 HG12 ILE B 63 11.788 8.145 10.093 1.00 5.23 H new ATOM 0 HG13 ILE B 63 12.662 9.300 11.079 1.00 5.23 H new ATOM 0 HG21 ILE B 63 10.168 6.904 12.439 1.00 5.71 H new ATOM 0 HG22 ILE B 63 8.794 8.034 12.386 1.00 5.71 H new ATOM 0 HG23 ILE B 63 9.451 7.361 10.875 1.00 5.71 H new ATOM 0 HD11 ILE B 63 13.599 7.052 11.323 1.00 5.25 H new ATOM 0 HD12 ILE B 63 12.907 7.610 12.865 1.00 5.25 H new ATOM 0 HD13 ILE B 63 12.019 6.438 11.864 1.00 5.25 H new ATOM 2159 N SER B 64 11.891 11.406 10.230 1.00 6.41 N ATOM 2160 CA SER B 64 12.803 12.546 10.242 1.00 6.97 C ATOM 2161 C SER B 64 13.668 12.561 8.981 1.00 7.20 C ATOM 2162 O SER B 64 14.746 11.927 8.992 1.00 7.43 O ATOM 2163 CB SER B 64 13.687 12.510 11.493 1.00 7.23 C ATOM 2164 OG SER B 64 14.607 13.588 11.501 1.00 7.19 O ATOM 2165 OXT SER B 64 13.259 13.206 7.993 1.00 7.37 O ATOM 0 H SER B 64 12.081 10.724 9.496 1.00 6.41 H new ATOM 0 HA SER B 64 12.208 13.459 10.261 1.00 6.97 H new ATOM 0 HB2 SER B 64 13.062 12.555 12.385 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.229 11.565 11.531 1.00 7.23 H new ATOM 0 HG SER B 64 15.158 13.542 12.310 1.00 7.19 H new TER 2171 SER B 64