USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 809 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 69 CYS SG : rot 159:sc= -1.76! USER MOD Set 1.2: A 78 GLN : amide:sc= -1.82! C(o=-3.6!,f=-2.3!) USER MOD Set 2.1: A 32 CYS SG : rot -140:sc= 0.314! USER MOD Set 2.2: A 35 CYS SG : rot 113:sc= -3.25! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0889 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -138:sc= -2.6! (180deg=-3.71!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -0.221 (180deg=-2.05!) USER MOD Single : A 43 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-9.7!) USER MOD Single : A 44 SER OG : rot 158:sc= 0.804 USER MOD Single : A 46 SER OG : rot -150:sc= -3.21! USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.0104 (180deg=0.0034) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.38!) USER MOD Single : A 62 CYS SG : rot -56:sc= 0.56 USER MOD Single : A 63 GLN : amide:sc= -1.62 K(o=-1.6,f=-4!) USER MOD Single : A 67 SER OG : rot -33:sc= 0.303 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc=-0.00622 (180deg=-0.257) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 76 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.179) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0.143 (180deg=0.124) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.51! K(o=-6.5!,f=-0.42) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= -0.0327 (180deg=-0.687) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 69:sc= -0.141 USER MOD Single : A 102 ASN : amide:sc= -2.34! C(o=-2.3!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.787 -1.338 7.774 1.00 1.74 N ATOM 2 CA MET A 1 -6.760 -1.582 8.828 1.00 1.13 C ATOM 3 C MET A 1 -5.366 -1.552 8.193 1.00 0.97 C ATOM 4 O MET A 1 -5.068 -2.334 7.312 1.00 1.43 O ATOM 5 CB MET A 1 -6.983 -2.939 9.493 1.00 1.70 C ATOM 6 CG MET A 1 -6.580 -2.847 10.967 1.00 1.02 C ATOM 7 SD MET A 1 -6.400 -4.400 11.878 1.00 2.13 S ATOM 8 CE MET A 1 -7.771 -4.145 13.032 1.00 1.73 C ATOM 0 H1 MET A 1 -8.735 -1.358 8.202 1.00 1.74 H new ATOM 0 H2 MET A 1 -7.623 -0.408 7.338 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.720 -2.078 7.046 1.00 1.74 H new ATOM 0 HA MET A 1 -6.843 -0.803 9.586 1.00 1.13 H new ATOM 0 HB2 MET A 1 -8.029 -3.233 9.407 1.00 1.70 H new ATOM 0 HB3 MET A 1 -6.394 -3.706 8.989 1.00 1.70 H new ATOM 0 HG2 MET A 1 -5.633 -2.311 11.025 1.00 1.02 H new ATOM 0 HG3 MET A 1 -7.323 -2.238 11.482 1.00 1.02 H new ATOM 0 HE1 MET A 1 -7.846 -5.001 13.703 1.00 1.73 H new ATOM 0 HE2 MET A 1 -7.593 -3.241 13.615 1.00 1.73 H new ATOM 0 HE3 MET A 1 -8.701 -4.039 12.474 1.00 1.73 H new ATOM 20 N VAL A 2 -4.542 -0.650 8.653 1.00 0.48 N ATOM 21 CA VAL A 2 -3.168 -0.558 8.084 1.00 0.32 C ATOM 22 C VAL A 2 -2.306 -1.720 8.587 1.00 0.54 C ATOM 23 O VAL A 2 -2.562 -2.277 9.636 1.00 1.04 O ATOM 24 CB VAL A 2 -2.537 0.765 8.509 1.00 0.43 C ATOM 25 CG1 VAL A 2 -1.381 1.095 7.566 1.00 0.20 C ATOM 26 CG2 VAL A 2 -3.583 1.874 8.420 1.00 0.73 C ATOM 0 H VAL A 2 -4.758 0.021 9.391 1.00 0.48 H new ATOM 0 HA VAL A 2 -3.227 -0.609 6.997 1.00 0.32 H new ATOM 0 HB VAL A 2 -2.170 0.684 9.532 1.00 0.43 H new ATOM 0 HG11 VAL A 2 -0.926 2.039 7.865 1.00 0.20 H new ATOM 0 HG12 VAL A 2 -0.635 0.302 7.614 1.00 0.20 H new ATOM 0 HG13 VAL A 2 -1.756 1.180 6.546 1.00 0.20 H new ATOM 0 HG21 VAL A 2 -3.136 2.821 8.723 1.00 0.73 H new ATOM 0 HG22 VAL A 2 -3.942 1.954 7.394 1.00 0.73 H new ATOM 0 HG23 VAL A 2 -4.419 1.640 9.080 1.00 0.73 H new ATOM 36 N LYS A 3 -1.306 -2.063 7.823 1.00 0.24 N ATOM 37 CA LYS A 3 -0.416 -3.186 8.241 1.00 0.40 C ATOM 38 C LYS A 3 1.000 -2.968 7.702 1.00 0.38 C ATOM 39 O LYS A 3 1.217 -2.952 6.506 1.00 0.71 O ATOM 40 CB LYS A 3 -0.973 -4.496 7.686 1.00 0.52 C ATOM 41 CG LYS A 3 -0.241 -5.667 8.341 1.00 0.74 C ATOM 42 CD LYS A 3 -0.835 -6.979 7.828 1.00 1.45 C ATOM 43 CE LYS A 3 -1.756 -7.563 8.901 1.00 1.66 C ATOM 44 NZ LYS A 3 -2.528 -8.713 8.354 1.00 2.51 N ATOM 0 H LYS A 3 -1.067 -1.620 6.936 1.00 0.24 H new ATOM 0 HA LYS A 3 -0.377 -3.227 9.330 1.00 0.40 H new ATOM 0 HB2 LYS A 3 -2.043 -4.563 7.883 1.00 0.52 H new ATOM 0 HB3 LYS A 3 -0.846 -4.531 6.604 1.00 0.52 H new ATOM 0 HG2 LYS A 3 0.823 -5.621 8.111 1.00 0.74 H new ATOM 0 HG3 LYS A 3 -0.335 -5.610 9.425 1.00 0.74 H new ATOM 0 HD2 LYS A 3 -1.392 -6.805 6.908 1.00 1.45 H new ATOM 0 HD3 LYS A 3 -0.039 -7.685 7.590 1.00 1.45 H new ATOM 0 HE2 LYS A 3 -1.166 -7.888 9.758 1.00 1.66 H new ATOM 0 HE3 LYS A 3 -2.441 -6.794 9.259 1.00 1.66 H new ATOM 0 HZ1 LYS A 3 -3.148 -9.098 9.094 1.00 2.51 H new ATOM 0 HZ2 LYS A 3 -3.105 -8.393 7.551 1.00 2.51 H new ATOM 0 HZ3 LYS A 3 -1.870 -9.452 8.034 1.00 2.51 H new ATOM 58 N GLN A 4 1.937 -2.804 8.596 1.00 0.18 N ATOM 59 CA GLN A 4 3.344 -2.588 8.148 1.00 0.16 C ATOM 60 C GLN A 4 4.007 -3.931 7.838 1.00 0.15 C ATOM 61 O GLN A 4 3.959 -4.849 8.633 1.00 0.16 O ATOM 62 CB GLN A 4 4.123 -1.878 9.252 1.00 0.17 C ATOM 63 CG GLN A 4 5.574 -1.692 8.800 1.00 0.06 C ATOM 64 CD GLN A 4 6.072 -0.319 9.250 1.00 0.50 C ATOM 65 OE1 GLN A 4 6.669 0.419 8.490 1.00 1.56 O ATOM 66 NE2 GLN A 4 5.850 0.063 10.477 1.00 0.87 N ATOM 0 H GLN A 4 1.793 -2.810 9.606 1.00 0.18 H new ATOM 0 HA GLN A 4 3.343 -1.975 7.246 1.00 0.16 H new ATOM 0 HB2 GLN A 4 3.670 -0.911 9.470 1.00 0.17 H new ATOM 0 HB3 GLN A 4 4.087 -2.461 10.172 1.00 0.17 H new ATOM 0 HG2 GLN A 4 6.202 -2.476 9.223 1.00 0.06 H new ATOM 0 HG3 GLN A 4 5.643 -1.779 7.716 1.00 0.06 H new ATOM 0 HE21 GLN A 4 5.350 -0.551 11.120 1.00 0.87 H new ATOM 0 HE22 GLN A 4 6.177 0.976 10.794 1.00 0.87 H new ATOM 75 N ILE A 5 4.616 -4.017 6.689 1.00 0.21 N ATOM 76 CA ILE A 5 5.286 -5.293 6.311 1.00 0.20 C ATOM 77 C ILE A 5 6.747 -5.260 6.772 1.00 0.24 C ATOM 78 O ILE A 5 7.254 -4.221 7.150 1.00 0.42 O ATOM 79 CB ILE A 5 5.232 -5.477 4.775 1.00 0.23 C ATOM 80 CG1 ILE A 5 3.825 -5.130 4.224 1.00 0.25 C ATOM 81 CG2 ILE A 5 5.568 -6.930 4.416 1.00 0.32 C ATOM 82 CD1 ILE A 5 2.836 -6.271 4.517 1.00 0.53 C ATOM 0 H ILE A 5 4.679 -3.267 6.001 1.00 0.21 H new ATOM 0 HA ILE A 5 4.772 -6.126 6.791 1.00 0.20 H new ATOM 0 HB ILE A 5 5.961 -4.803 4.326 1.00 0.23 H new ATOM 0 HG12 ILE A 5 3.468 -4.206 4.678 1.00 0.25 H new ATOM 0 HG13 ILE A 5 3.881 -4.956 3.149 1.00 0.25 H new ATOM 0 HG21 ILE A 5 5.529 -7.056 3.334 1.00 0.32 H new ATOM 0 HG22 ILE A 5 6.569 -7.171 4.773 1.00 0.32 H new ATOM 0 HG23 ILE A 5 4.845 -7.597 4.885 1.00 0.32 H new ATOM 0 HD11 ILE A 5 1.853 -6.011 4.123 1.00 0.53 H new ATOM 0 HD12 ILE A 5 3.186 -7.187 4.042 1.00 0.53 H new ATOM 0 HD13 ILE A 5 2.766 -6.425 5.594 1.00 0.53 H new ATOM 94 N GLU A 6 7.389 -6.400 6.728 1.00 0.16 N ATOM 95 CA GLU A 6 8.821 -6.471 7.165 1.00 0.15 C ATOM 96 C GLU A 6 9.686 -7.072 6.051 1.00 0.35 C ATOM 97 O GLU A 6 10.737 -6.554 5.731 1.00 0.65 O ATOM 98 CB GLU A 6 8.916 -7.351 8.411 1.00 0.20 C ATOM 99 CG GLU A 6 7.823 -6.944 9.401 1.00 1.35 C ATOM 100 CD GLU A 6 7.966 -5.456 9.725 1.00 2.66 C ATOM 101 OE1 GLU A 6 9.080 -5.078 10.046 1.00 2.91 O ATOM 102 OE2 GLU A 6 6.953 -4.782 9.631 1.00 3.96 O ATOM 0 H GLU A 6 6.988 -7.282 6.410 1.00 0.16 H new ATOM 0 HA GLU A 6 9.180 -5.466 7.387 1.00 0.15 H new ATOM 0 HB2 GLU A 6 8.804 -8.400 8.139 1.00 0.20 H new ATOM 0 HB3 GLU A 6 9.898 -7.245 8.872 1.00 0.20 H new ATOM 0 HG2 GLU A 6 6.839 -7.143 8.977 1.00 1.35 H new ATOM 0 HG3 GLU A 6 7.903 -7.536 10.313 1.00 1.35 H new ATOM 109 N SER A 7 9.224 -8.154 5.486 1.00 0.21 N ATOM 110 CA SER A 7 10.005 -8.801 4.390 1.00 0.43 C ATOM 111 C SER A 7 9.059 -9.523 3.425 1.00 0.21 C ATOM 112 O SER A 7 7.860 -9.341 3.476 1.00 0.10 O ATOM 113 CB SER A 7 10.981 -9.811 4.995 1.00 0.70 C ATOM 114 OG SER A 7 10.195 -10.533 5.933 1.00 0.71 O ATOM 0 H SER A 7 8.348 -8.616 5.732 1.00 0.21 H new ATOM 0 HA SER A 7 10.555 -8.036 3.842 1.00 0.43 H new ATOM 0 HB2 SER A 7 11.397 -10.470 4.232 1.00 0.70 H new ATOM 0 HB3 SER A 7 11.821 -9.313 5.479 1.00 0.70 H new ATOM 0 HG SER A 7 10.750 -11.211 6.371 1.00 0.71 H new ATOM 120 N LYS A 8 9.621 -10.331 2.567 1.00 0.17 N ATOM 121 CA LYS A 8 8.770 -11.073 1.590 1.00 0.11 C ATOM 122 C LYS A 8 7.918 -12.111 2.315 1.00 0.21 C ATOM 123 O LYS A 8 6.752 -12.285 2.021 1.00 0.26 O ATOM 124 CB LYS A 8 9.670 -11.769 0.573 1.00 0.23 C ATOM 125 CG LYS A 8 8.818 -12.672 -0.319 1.00 0.66 C ATOM 126 CD LYS A 8 9.633 -13.070 -1.549 1.00 0.20 C ATOM 127 CE LYS A 8 9.118 -14.406 -2.083 1.00 0.94 C ATOM 128 NZ LYS A 8 9.784 -14.740 -3.372 1.00 1.17 N ATOM 0 H LYS A 8 10.623 -10.509 2.499 1.00 0.17 H new ATOM 0 HA LYS A 8 8.109 -10.371 1.081 1.00 0.11 H new ATOM 0 HB2 LYS A 8 10.194 -11.030 -0.033 1.00 0.23 H new ATOM 0 HB3 LYS A 8 10.431 -12.358 1.086 1.00 0.23 H new ATOM 0 HG2 LYS A 8 8.509 -13.561 0.231 1.00 0.66 H new ATOM 0 HG3 LYS A 8 7.909 -12.152 -0.622 1.00 0.66 H new ATOM 0 HD2 LYS A 8 9.552 -12.302 -2.318 1.00 0.20 H new ATOM 0 HD3 LYS A 8 10.689 -13.151 -1.290 1.00 0.20 H new ATOM 0 HE2 LYS A 8 9.307 -15.194 -1.354 1.00 0.94 H new ATOM 0 HE3 LYS A 8 8.039 -14.356 -2.226 1.00 0.94 H new ATOM 0 HZ1 LYS A 8 9.424 -15.650 -3.723 1.00 1.17 H new ATOM 0 HZ2 LYS A 8 9.582 -13.996 -4.070 1.00 1.17 H new ATOM 0 HZ3 LYS A 8 10.811 -14.807 -3.225 1.00 1.17 H new ATOM 142 N THR A 9 8.523 -12.777 3.248 1.00 0.41 N ATOM 143 CA THR A 9 7.777 -13.811 4.014 1.00 0.63 C ATOM 144 C THR A 9 6.479 -13.220 4.555 1.00 0.56 C ATOM 145 O THR A 9 5.471 -13.892 4.648 1.00 0.67 O ATOM 146 CB THR A 9 8.644 -14.295 5.177 1.00 0.84 C ATOM 147 OG1 THR A 9 9.843 -14.765 4.565 1.00 0.94 O ATOM 148 CG2 THR A 9 8.037 -15.515 5.863 1.00 0.99 C ATOM 0 H THR A 9 9.499 -12.654 3.516 1.00 0.41 H new ATOM 0 HA THR A 9 7.539 -14.648 3.358 1.00 0.63 H new ATOM 0 HB THR A 9 8.766 -13.494 5.906 1.00 0.84 H new ATOM 0 HG1 THR A 9 10.456 -15.093 5.256 1.00 0.94 H new ATOM 0 HG21 THR A 9 8.682 -15.829 6.684 1.00 0.99 H new ATOM 0 HG22 THR A 9 7.051 -15.260 6.253 1.00 0.99 H new ATOM 0 HG23 THR A 9 7.944 -16.328 5.143 1.00 0.99 H new ATOM 156 N ALA A 10 6.540 -11.973 4.899 1.00 0.46 N ATOM 157 CA ALA A 10 5.334 -11.296 5.437 1.00 0.46 C ATOM 158 C ALA A 10 4.402 -10.882 4.297 1.00 0.28 C ATOM 159 O ALA A 10 3.221 -11.166 4.325 1.00 0.29 O ATOM 160 CB ALA A 10 5.764 -10.058 6.209 1.00 0.55 C ATOM 0 H ALA A 10 7.374 -11.389 4.832 1.00 0.46 H new ATOM 0 HA ALA A 10 4.802 -11.984 6.094 1.00 0.46 H new ATOM 0 HB1 ALA A 10 4.884 -9.554 6.608 1.00 0.55 H new ATOM 0 HB2 ALA A 10 6.418 -10.350 7.030 1.00 0.55 H new ATOM 0 HB3 ALA A 10 6.299 -9.381 5.543 1.00 0.55 H new ATOM 166 N PHE A 11 4.957 -10.215 3.320 1.00 0.15 N ATOM 167 CA PHE A 11 4.125 -9.769 2.167 1.00 0.11 C ATOM 168 C PHE A 11 3.189 -10.898 1.731 1.00 0.11 C ATOM 169 O PHE A 11 2.125 -10.658 1.203 1.00 0.14 O ATOM 170 CB PHE A 11 5.051 -9.393 1.011 1.00 0.25 C ATOM 171 CG PHE A 11 4.238 -8.753 -0.119 1.00 0.30 C ATOM 172 CD1 PHE A 11 3.588 -7.546 0.080 1.00 0.33 C ATOM 173 CD2 PHE A 11 4.142 -9.371 -1.356 1.00 0.36 C ATOM 174 CE1 PHE A 11 2.856 -6.970 -0.939 1.00 0.38 C ATOM 175 CE2 PHE A 11 3.410 -8.792 -2.372 1.00 0.40 C ATOM 176 CZ PHE A 11 2.768 -7.592 -2.163 1.00 0.40 C ATOM 0 H PHE A 11 5.944 -9.962 3.271 1.00 0.15 H new ATOM 0 HA PHE A 11 3.524 -8.908 2.458 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.817 -8.700 1.358 1.00 0.25 H new ATOM 0 HB3 PHE A 11 5.567 -10.280 0.643 1.00 0.25 H new ATOM 0 HD1 PHE A 11 3.654 -7.052 1.038 1.00 0.33 H new ATOM 0 HD2 PHE A 11 4.644 -10.312 -1.526 1.00 0.36 H new ATOM 0 HE1 PHE A 11 2.351 -6.029 -0.775 1.00 0.38 H new ATOM 0 HE2 PHE A 11 3.340 -9.281 -3.333 1.00 0.40 H new ATOM 0 HZ PHE A 11 2.196 -7.139 -2.959 1.00 0.40 H new ATOM 186 N GLN A 12 3.614 -12.109 1.962 1.00 0.26 N ATOM 187 CA GLN A 12 2.764 -13.274 1.569 1.00 0.43 C ATOM 188 C GLN A 12 1.615 -13.461 2.560 1.00 0.46 C ATOM 189 O GLN A 12 0.463 -13.528 2.181 1.00 0.46 O ATOM 190 CB GLN A 12 3.627 -14.536 1.542 1.00 0.62 C ATOM 191 CG GLN A 12 4.680 -14.403 0.441 1.00 0.78 C ATOM 192 CD GLN A 12 4.285 -15.283 -0.747 1.00 0.85 C ATOM 193 OE1 GLN A 12 4.756 -16.393 -0.895 1.00 1.96 O ATOM 194 NE2 GLN A 12 3.424 -14.827 -1.616 1.00 0.08 N ATOM 0 H GLN A 12 4.504 -12.344 2.401 1.00 0.26 H new ATOM 0 HA GLN A 12 2.342 -13.088 0.581 1.00 0.43 H new ATOM 0 HB2 GLN A 12 4.110 -14.681 2.508 1.00 0.62 H new ATOM 0 HB3 GLN A 12 3.005 -15.413 1.362 1.00 0.62 H new ATOM 0 HG2 GLN A 12 4.763 -13.363 0.126 1.00 0.78 H new ATOM 0 HG3 GLN A 12 5.658 -14.701 0.819 1.00 0.78 H new ATOM 0 HE21 GLN A 12 3.025 -13.896 -1.498 1.00 0.08 H new ATOM 0 HE22 GLN A 12 3.151 -15.402 -2.413 1.00 0.08 H new ATOM 203 N GLU A 13 1.961 -13.539 3.807 1.00 0.53 N ATOM 204 CA GLU A 13 0.914 -13.736 4.857 1.00 0.66 C ATOM 205 C GLU A 13 -0.104 -12.590 4.831 1.00 0.55 C ATOM 206 O GLU A 13 -1.287 -12.807 4.999 1.00 0.55 O ATOM 207 CB GLU A 13 1.586 -13.790 6.229 1.00 0.82 C ATOM 208 CG GLU A 13 2.637 -14.902 6.234 1.00 0.49 C ATOM 209 CD GLU A 13 2.522 -15.704 7.533 1.00 0.76 C ATOM 210 OE1 GLU A 13 2.943 -15.162 8.542 1.00 1.64 O ATOM 211 OE2 GLU A 13 2.020 -16.812 7.443 1.00 1.23 O ATOM 0 H GLU A 13 2.919 -13.476 4.152 1.00 0.53 H new ATOM 0 HA GLU A 13 0.388 -14.670 4.659 1.00 0.66 H new ATOM 0 HB2 GLU A 13 2.053 -12.832 6.456 1.00 0.82 H new ATOM 0 HB3 GLU A 13 0.842 -13.974 7.004 1.00 0.82 H new ATOM 0 HG2 GLU A 13 2.493 -15.557 5.375 1.00 0.49 H new ATOM 0 HG3 GLU A 13 3.636 -14.474 6.145 1.00 0.49 H new ATOM 218 N ALA A 14 0.375 -11.394 4.622 1.00 0.47 N ATOM 219 CA ALA A 14 -0.560 -10.231 4.590 1.00 0.43 C ATOM 220 C ALA A 14 -1.636 -10.453 3.525 1.00 0.30 C ATOM 221 O ALA A 14 -2.808 -10.250 3.770 1.00 0.28 O ATOM 222 CB ALA A 14 0.227 -8.963 4.267 1.00 0.39 C ATOM 0 H ALA A 14 1.359 -11.172 4.474 1.00 0.47 H new ATOM 0 HA ALA A 14 -1.041 -10.128 5.562 1.00 0.43 H new ATOM 0 HB1 ALA A 14 -0.451 -8.110 4.242 1.00 0.39 H new ATOM 0 HB2 ALA A 14 0.986 -8.801 5.032 1.00 0.39 H new ATOM 0 HB3 ALA A 14 0.709 -9.071 3.295 1.00 0.39 H new ATOM 228 N LEU A 15 -1.212 -10.864 2.363 1.00 0.22 N ATOM 229 CA LEU A 15 -2.195 -11.110 1.271 1.00 0.15 C ATOM 230 C LEU A 15 -3.010 -12.368 1.579 1.00 0.29 C ATOM 231 O LEU A 15 -4.050 -12.599 0.995 1.00 0.36 O ATOM 232 CB LEU A 15 -1.439 -11.294 -0.044 1.00 0.19 C ATOM 233 CG LEU A 15 -0.605 -10.037 -0.327 1.00 0.14 C ATOM 234 CD1 LEU A 15 0.229 -10.261 -1.589 1.00 0.28 C ATOM 235 CD2 LEU A 15 -1.533 -8.836 -0.544 1.00 0.18 C ATOM 0 H LEU A 15 -0.236 -11.039 2.123 1.00 0.22 H new ATOM 0 HA LEU A 15 -2.874 -10.261 1.191 1.00 0.15 H new ATOM 0 HB2 LEU A 15 -0.792 -12.169 0.014 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -2.141 -11.470 -0.859 1.00 0.19 H new ATOM 0 HG LEU A 15 0.050 -9.839 0.522 1.00 0.14 H new ATOM 0 HD11 LEU A 15 0.824 -9.371 -1.795 1.00 0.28 H new ATOM 0 HD12 LEU A 15 0.892 -11.114 -1.441 1.00 0.28 H new ATOM 0 HD13 LEU A 15 -0.433 -10.458 -2.432 1.00 0.28 H new ATOM 0 HD21 LEU A 15 -0.936 -7.946 -0.744 1.00 0.18 H new ATOM 0 HD22 LEU A 15 -2.189 -9.032 -1.392 1.00 0.18 H new ATOM 0 HD23 LEU A 15 -2.135 -8.675 0.350 1.00 0.18 H new ATOM 247 N ASP A 16 -2.515 -13.155 2.491 1.00 0.35 N ATOM 248 CA ASP A 16 -3.243 -14.405 2.860 1.00 0.49 C ATOM 249 C ASP A 16 -4.118 -14.161 4.091 1.00 0.58 C ATOM 250 O ASP A 16 -5.039 -14.906 4.359 1.00 0.70 O ATOM 251 CB ASP A 16 -2.228 -15.506 3.164 1.00 0.52 C ATOM 252 CG ASP A 16 -2.880 -16.871 2.936 1.00 0.51 C ATOM 253 OD1 ASP A 16 -3.535 -17.321 3.862 1.00 1.27 O ATOM 254 OD2 ASP A 16 -2.687 -17.388 1.847 1.00 0.55 O ATOM 0 H ASP A 16 -1.644 -12.991 2.996 1.00 0.35 H new ATOM 0 HA ASP A 16 -3.880 -14.708 2.029 1.00 0.49 H new ATOM 0 HB2 ASP A 16 -1.353 -15.397 2.524 1.00 0.52 H new ATOM 0 HB3 ASP A 16 -1.882 -15.423 4.194 1.00 0.52 H new ATOM 259 N ALA A 17 -3.806 -13.120 4.808 1.00 0.53 N ATOM 260 CA ALA A 17 -4.603 -12.799 6.031 1.00 0.63 C ATOM 261 C ALA A 17 -5.602 -11.680 5.726 1.00 0.57 C ATOM 262 O ALA A 17 -6.511 -11.429 6.492 1.00 0.48 O ATOM 263 CB ALA A 17 -3.656 -12.346 7.140 1.00 0.69 C ATOM 0 H ALA A 17 -3.039 -12.479 4.605 1.00 0.53 H new ATOM 0 HA ALA A 17 -5.150 -13.687 6.349 1.00 0.63 H new ATOM 0 HB1 ALA A 17 -4.231 -12.110 8.036 1.00 0.69 H new ATOM 0 HB2 ALA A 17 -2.948 -13.145 7.363 1.00 0.69 H new ATOM 0 HB3 ALA A 17 -3.112 -11.460 6.814 1.00 0.69 H new ATOM 269 N ALA A 18 -5.410 -11.030 4.609 1.00 0.61 N ATOM 270 CA ALA A 18 -6.338 -9.924 4.237 1.00 0.55 C ATOM 271 C ALA A 18 -7.664 -10.497 3.730 1.00 0.64 C ATOM 272 O ALA A 18 -8.618 -9.774 3.525 1.00 0.79 O ATOM 273 CB ALA A 18 -5.695 -9.081 3.137 1.00 0.36 C ATOM 0 H ALA A 18 -4.659 -11.215 3.944 1.00 0.61 H new ATOM 0 HA ALA A 18 -6.532 -9.307 5.114 1.00 0.55 H new ATOM 0 HB1 ALA A 18 -6.368 -8.270 2.860 1.00 0.36 H new ATOM 0 HB2 ALA A 18 -4.755 -8.665 3.500 1.00 0.36 H new ATOM 0 HB3 ALA A 18 -5.502 -9.706 2.265 1.00 0.36 H new ATOM 279 N GLY A 19 -7.695 -11.788 3.539 1.00 0.60 N ATOM 280 CA GLY A 19 -8.948 -12.419 3.042 1.00 0.70 C ATOM 281 C GLY A 19 -9.046 -12.273 1.525 1.00 0.64 C ATOM 282 O GLY A 19 -8.373 -12.963 0.787 1.00 0.62 O ATOM 0 H GLY A 19 -6.916 -12.426 3.704 1.00 0.60 H new ATOM 0 HA2 GLY A 19 -8.966 -13.474 3.315 1.00 0.70 H new ATOM 0 HA3 GLY A 19 -9.812 -11.953 3.516 1.00 0.70 H new ATOM 286 N ASP A 20 -9.885 -11.375 1.094 1.00 0.67 N ATOM 287 CA ASP A 20 -10.039 -11.166 -0.378 1.00 0.64 C ATOM 288 C ASP A 20 -10.354 -9.694 -0.688 1.00 0.53 C ATOM 289 O ASP A 20 -10.038 -9.207 -1.755 1.00 0.53 O ATOM 290 CB ASP A 20 -11.177 -12.047 -0.890 1.00 0.81 C ATOM 291 CG ASP A 20 -11.970 -12.596 0.299 1.00 1.93 C ATOM 292 OD1 ASP A 20 -12.687 -11.800 0.884 1.00 2.77 O ATOM 293 OD2 ASP A 20 -11.813 -13.778 0.555 1.00 2.29 O ATOM 0 H ASP A 20 -10.466 -10.781 1.686 1.00 0.67 H new ATOM 0 HA ASP A 20 -9.105 -11.432 -0.872 1.00 0.64 H new ATOM 0 HB2 ASP A 20 -11.832 -11.471 -1.543 1.00 0.81 H new ATOM 0 HB3 ASP A 20 -10.777 -12.868 -1.484 1.00 0.81 H new ATOM 298 N LYS A 21 -10.973 -9.021 0.247 1.00 0.47 N ATOM 299 CA LYS A 21 -11.314 -7.582 0.020 1.00 0.37 C ATOM 300 C LYS A 21 -10.136 -6.849 -0.634 1.00 0.33 C ATOM 301 O LYS A 21 -9.012 -7.300 -0.567 1.00 0.41 O ATOM 302 CB LYS A 21 -11.635 -6.928 1.364 1.00 0.36 C ATOM 303 CG LYS A 21 -12.759 -7.710 2.050 1.00 0.42 C ATOM 304 CD LYS A 21 -12.290 -8.156 3.437 1.00 0.40 C ATOM 305 CE LYS A 21 -13.465 -8.792 4.184 1.00 0.51 C ATOM 306 NZ LYS A 21 -13.923 -7.904 5.292 1.00 1.38 N ATOM 0 H LYS A 21 -11.256 -9.400 1.151 1.00 0.47 H new ATOM 0 HA LYS A 21 -12.177 -7.520 -0.643 1.00 0.37 H new ATOM 0 HB2 LYS A 21 -10.747 -6.914 1.996 1.00 0.36 H new ATOM 0 HB3 LYS A 21 -11.936 -5.891 1.215 1.00 0.36 H new ATOM 0 HG2 LYS A 21 -13.650 -7.088 2.137 1.00 0.42 H new ATOM 0 HG3 LYS A 21 -13.033 -8.577 1.450 1.00 0.42 H new ATOM 0 HD2 LYS A 21 -11.472 -8.871 3.345 1.00 0.40 H new ATOM 0 HD3 LYS A 21 -11.907 -7.303 3.996 1.00 0.40 H new ATOM 0 HE2 LYS A 21 -14.288 -8.974 3.492 1.00 0.51 H new ATOM 0 HE3 LYS A 21 -13.167 -9.760 4.586 1.00 0.51 H new ATOM 0 HZ1 LYS A 21 -14.720 -8.351 5.788 1.00 1.38 H new ATOM 0 HZ2 LYS A 21 -13.141 -7.752 5.961 1.00 1.38 H new ATOM 0 HZ3 LYS A 21 -14.227 -6.990 4.901 1.00 1.38 H new ATOM 320 N LEU A 22 -10.428 -5.736 -1.260 1.00 0.22 N ATOM 321 CA LEU A 22 -9.340 -4.953 -1.922 1.00 0.19 C ATOM 322 C LEU A 22 -8.100 -4.898 -1.024 1.00 0.18 C ATOM 323 O LEU A 22 -8.214 -4.879 0.187 1.00 0.34 O ATOM 324 CB LEU A 22 -9.836 -3.531 -2.174 1.00 0.20 C ATOM 325 CG LEU A 22 -10.109 -3.339 -3.666 1.00 0.45 C ATOM 326 CD1 LEU A 22 -10.836 -2.006 -3.863 1.00 1.31 C ATOM 327 CD2 LEU A 22 -8.779 -3.311 -4.428 1.00 1.09 C ATOM 0 H LEU A 22 -11.364 -5.339 -1.341 1.00 0.22 H new ATOM 0 HA LEU A 22 -9.075 -5.436 -2.863 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -10.744 -3.345 -1.601 1.00 0.20 H new ATOM 0 HB3 LEU A 22 -9.092 -2.810 -1.835 1.00 0.20 H new ATOM 0 HG LEU A 22 -10.722 -4.158 -4.042 1.00 0.45 H new ATOM 0 HD11 LEU A 22 -11.038 -1.855 -4.923 1.00 1.31 H new ATOM 0 HD12 LEU A 22 -11.777 -2.020 -3.313 1.00 1.31 H new ATOM 0 HD13 LEU A 22 -10.212 -1.193 -3.493 1.00 1.31 H new ATOM 0 HD21 LEU A 22 -8.972 -3.174 -5.492 1.00 1.09 H new ATOM 0 HD22 LEU A 22 -8.167 -2.487 -4.061 1.00 1.09 H new ATOM 0 HD23 LEU A 22 -8.251 -4.252 -4.273 1.00 1.09 H new ATOM 339 N VAL A 23 -6.944 -4.876 -1.637 1.00 0.07 N ATOM 340 CA VAL A 23 -5.684 -4.814 -0.837 1.00 0.06 C ATOM 341 C VAL A 23 -4.737 -3.796 -1.488 1.00 0.08 C ATOM 342 O VAL A 23 -3.987 -4.124 -2.384 1.00 0.07 O ATOM 343 CB VAL A 23 -5.040 -6.221 -0.824 1.00 0.12 C ATOM 344 CG1 VAL A 23 -4.001 -6.340 0.309 1.00 0.21 C ATOM 345 CG2 VAL A 23 -6.137 -7.275 -0.611 1.00 0.10 C ATOM 0 H VAL A 23 -6.818 -4.898 -2.649 1.00 0.07 H new ATOM 0 HA VAL A 23 -5.888 -4.504 0.188 1.00 0.06 H new ATOM 0 HB VAL A 23 -4.537 -6.382 -1.777 1.00 0.12 H new ATOM 0 HG11 VAL A 23 -3.563 -7.338 0.297 1.00 0.21 H new ATOM 0 HG12 VAL A 23 -3.217 -5.597 0.163 1.00 0.21 H new ATOM 0 HG13 VAL A 23 -4.488 -6.169 1.269 1.00 0.21 H new ATOM 0 HG21 VAL A 23 -5.690 -8.269 -0.601 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.637 -7.092 0.340 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.864 -7.213 -1.421 1.00 0.10 H new ATOM 355 N VAL A 24 -4.794 -2.577 -1.013 1.00 0.12 N ATOM 356 CA VAL A 24 -3.934 -1.507 -1.615 1.00 0.16 C ATOM 357 C VAL A 24 -2.658 -1.285 -0.796 1.00 0.18 C ATOM 358 O VAL A 24 -2.717 -0.986 0.380 1.00 0.35 O ATOM 359 CB VAL A 24 -4.735 -0.212 -1.667 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.865 0.892 -2.255 1.00 0.23 C ATOM 361 CG2 VAL A 24 -5.964 -0.415 -2.555 1.00 0.23 C ATOM 0 H VAL A 24 -5.391 -2.276 -0.243 1.00 0.12 H new ATOM 0 HA VAL A 24 -3.638 -1.819 -2.616 1.00 0.16 H new ATOM 0 HB VAL A 24 -5.051 0.066 -0.662 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.434 1.821 -2.294 1.00 0.23 H new ATOM 0 HG12 VAL A 24 -2.983 1.032 -1.630 1.00 0.23 H new ATOM 0 HG13 VAL A 24 -3.555 0.613 -3.262 1.00 0.23 H new ATOM 0 HG21 VAL A 24 -6.540 0.509 -2.595 1.00 0.23 H new ATOM 0 HG22 VAL A 24 -5.645 -0.688 -3.561 1.00 0.23 H new ATOM 0 HG23 VAL A 24 -6.583 -1.211 -2.142 1.00 0.23 H new ATOM 371 N VAL A 25 -1.525 -1.405 -1.451 1.00 0.22 N ATOM 372 CA VAL A 25 -0.228 -1.214 -0.727 1.00 0.19 C ATOM 373 C VAL A 25 0.297 0.208 -0.905 1.00 0.20 C ATOM 374 O VAL A 25 -0.061 0.896 -1.840 1.00 0.31 O ATOM 375 CB VAL A 25 0.811 -2.190 -1.275 1.00 0.17 C ATOM 376 CG1 VAL A 25 2.155 -1.919 -0.598 1.00 0.30 C ATOM 377 CG2 VAL A 25 0.378 -3.620 -0.965 1.00 0.15 C ATOM 0 H VAL A 25 -1.443 -1.624 -2.444 1.00 0.22 H new ATOM 0 HA VAL A 25 -0.403 -1.397 0.333 1.00 0.19 H new ATOM 0 HB VAL A 25 0.902 -2.060 -2.353 1.00 0.17 H new ATOM 0 HG11 VAL A 25 2.903 -2.612 -0.984 1.00 0.30 H new ATOM 0 HG12 VAL A 25 2.467 -0.896 -0.806 1.00 0.30 H new ATOM 0 HG13 VAL A 25 2.054 -2.056 0.479 1.00 0.30 H new ATOM 0 HG21 VAL A 25 1.119 -4.317 -1.356 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.292 -3.748 0.114 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.587 -3.817 -1.432 1.00 0.15 H new ATOM 387 N ASP A 26 1.140 0.608 0.009 1.00 0.25 N ATOM 388 CA ASP A 26 1.737 1.971 -0.067 1.00 0.22 C ATOM 389 C ASP A 26 3.259 1.867 0.035 1.00 0.19 C ATOM 390 O ASP A 26 3.819 1.921 1.113 1.00 0.17 O ATOM 391 CB ASP A 26 1.208 2.812 1.088 1.00 0.24 C ATOM 392 CG ASP A 26 1.743 4.240 0.961 1.00 0.32 C ATOM 393 OD1 ASP A 26 1.820 4.689 -0.170 1.00 1.48 O ATOM 394 OD2 ASP A 26 2.047 4.798 2.001 1.00 0.94 O ATOM 0 H ASP A 26 1.441 0.048 0.806 1.00 0.25 H new ATOM 0 HA ASP A 26 1.469 2.437 -1.015 1.00 0.22 H new ATOM 0 HB2 ASP A 26 0.118 2.818 1.079 1.00 0.24 H new ATOM 0 HB3 ASP A 26 1.517 2.379 2.039 1.00 0.24 H new ATOM 399 N PHE A 27 3.892 1.707 -1.089 1.00 0.17 N ATOM 400 CA PHE A 27 5.376 1.595 -1.088 1.00 0.14 C ATOM 401 C PHE A 27 6.006 2.972 -0.882 1.00 0.11 C ATOM 402 O PHE A 27 6.115 3.754 -1.807 1.00 0.08 O ATOM 403 CB PHE A 27 5.818 1.016 -2.423 1.00 0.13 C ATOM 404 CG PHE A 27 5.452 -0.468 -2.466 1.00 0.16 C ATOM 405 CD1 PHE A 27 6.314 -1.418 -1.949 1.00 0.22 C ATOM 406 CD2 PHE A 27 4.253 -0.881 -3.022 1.00 0.15 C ATOM 407 CE1 PHE A 27 5.987 -2.757 -1.994 1.00 0.26 C ATOM 408 CE2 PHE A 27 3.932 -2.222 -3.061 1.00 0.19 C ATOM 409 CZ PHE A 27 4.798 -3.157 -2.549 1.00 0.25 C ATOM 0 H PHE A 27 3.450 1.649 -2.006 1.00 0.17 H new ATOM 0 HA PHE A 27 5.698 0.944 -0.275 1.00 0.14 H new ATOM 0 HB2 PHE A 27 5.334 1.547 -3.243 1.00 0.13 H new ATOM 0 HB3 PHE A 27 6.893 1.143 -2.551 1.00 0.13 H new ATOM 0 HD1 PHE A 27 7.250 -1.109 -1.507 1.00 0.22 H new ATOM 0 HD2 PHE A 27 3.567 -0.151 -3.426 1.00 0.15 H new ATOM 0 HE1 PHE A 27 6.668 -3.492 -1.592 1.00 0.26 H new ATOM 0 HE2 PHE A 27 2.995 -2.538 -3.496 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.543 -4.206 -2.583 1.00 0.25 H new ATOM 419 N SER A 28 6.406 3.242 0.330 1.00 0.13 N ATOM 420 CA SER A 28 7.030 4.566 0.616 1.00 0.12 C ATOM 421 C SER A 28 8.098 4.425 1.706 1.00 0.12 C ATOM 422 O SER A 28 8.387 3.333 2.157 1.00 0.13 O ATOM 423 CB SER A 28 5.947 5.536 1.086 1.00 0.14 C ATOM 424 OG SER A 28 6.521 6.819 0.887 1.00 1.34 O ATOM 0 H SER A 28 6.329 2.611 1.128 1.00 0.13 H new ATOM 0 HA SER A 28 7.502 4.944 -0.291 1.00 0.12 H new ATOM 0 HB2 SER A 28 5.028 5.417 0.511 1.00 0.14 H new ATOM 0 HB3 SER A 28 5.692 5.372 2.133 1.00 0.14 H new ATOM 0 HG SER A 28 5.883 7.509 1.165 1.00 1.34 H new ATOM 430 N ALA A 29 8.660 5.537 2.105 1.00 0.11 N ATOM 431 CA ALA A 29 9.712 5.498 3.168 1.00 0.11 C ATOM 432 C ALA A 29 9.128 5.951 4.511 1.00 0.16 C ATOM 433 O ALA A 29 8.526 7.002 4.607 1.00 0.11 O ATOM 434 CB ALA A 29 10.856 6.432 2.769 1.00 0.09 C ATOM 0 H ALA A 29 8.439 6.465 1.744 1.00 0.11 H new ATOM 0 HA ALA A 29 10.080 4.477 3.272 1.00 0.11 H new ATOM 0 HB1 ALA A 29 11.628 6.411 3.538 1.00 0.09 H new ATOM 0 HB2 ALA A 29 11.280 6.104 1.820 1.00 0.09 H new ATOM 0 HB3 ALA A 29 10.476 7.448 2.664 1.00 0.09 H new ATOM 440 N THR A 30 9.321 5.146 5.522 1.00 0.26 N ATOM 441 CA THR A 30 8.785 5.514 6.866 1.00 0.31 C ATOM 442 C THR A 30 9.804 6.372 7.621 1.00 0.37 C ATOM 443 O THR A 30 9.444 7.249 8.383 1.00 0.35 O ATOM 444 CB THR A 30 8.503 4.236 7.660 1.00 0.40 C ATOM 445 OG1 THR A 30 7.862 4.683 8.851 1.00 0.36 O ATOM 446 CG2 THR A 30 9.794 3.566 8.125 1.00 0.55 C ATOM 0 H THR A 30 9.821 4.258 5.477 1.00 0.26 H new ATOM 0 HA THR A 30 7.864 6.085 6.744 1.00 0.31 H new ATOM 0 HB THR A 30 7.933 3.537 7.048 1.00 0.40 H new ATOM 0 HG1 THR A 30 7.647 3.912 9.416 1.00 0.36 H new ATOM 0 HG21 THR A 30 9.554 2.662 8.685 1.00 0.55 H new ATOM 0 HG22 THR A 30 10.401 3.305 7.258 1.00 0.55 H new ATOM 0 HG23 THR A 30 10.350 4.252 8.764 1.00 0.55 H new ATOM 454 N TRP A 31 11.054 6.095 7.391 1.00 0.47 N ATOM 455 CA TRP A 31 12.125 6.875 8.075 1.00 0.56 C ATOM 456 C TRP A 31 12.181 8.302 7.518 1.00 0.54 C ATOM 457 O TRP A 31 12.231 9.261 8.261 1.00 0.58 O ATOM 458 CB TRP A 31 13.456 6.185 7.809 1.00 0.65 C ATOM 459 CG TRP A 31 13.610 6.014 6.296 1.00 0.60 C ATOM 460 CD1 TRP A 31 13.111 4.988 5.614 1.00 0.55 C ATOM 461 CD2 TRP A 31 14.205 6.876 5.487 1.00 0.62 C ATOM 462 NE1 TRP A 31 13.433 5.267 4.343 1.00 0.52 N ATOM 463 CE2 TRP A 31 14.125 6.443 4.175 1.00 0.57 C ATOM 464 CE3 TRP A 31 14.838 8.081 5.766 1.00 0.69 C ATOM 465 CZ2 TRP A 31 14.665 7.199 3.160 1.00 0.59 C ATOM 466 CZ3 TRP A 31 15.379 8.832 4.743 1.00 0.72 C ATOM 467 CH2 TRP A 31 15.291 8.392 3.443 1.00 0.67 C ATOM 0 H TRP A 31 11.383 5.364 6.760 1.00 0.47 H new ATOM 0 HA TRP A 31 11.919 6.924 9.144 1.00 0.56 H new ATOM 0 HB2 TRP A 31 14.278 6.777 8.211 1.00 0.65 H new ATOM 0 HB3 TRP A 31 13.488 5.216 8.307 1.00 0.65 H new ATOM 0 HD1 TRP A 31 12.573 4.132 5.994 1.00 0.55 H new ATOM 0 HE1 TRP A 31 13.185 4.657 3.564 1.00 0.52 H new ATOM 0 HE3 TRP A 31 14.907 8.430 6.786 1.00 0.69 H new ATOM 0 HZ2 TRP A 31 14.598 6.855 2.138 1.00 0.59 H new ATOM 0 HZ3 TRP A 31 15.872 9.767 4.963 1.00 0.72 H new ATOM 0 HH2 TRP A 31 15.713 8.983 2.644 1.00 0.67 H new ATOM 478 N CYS A 32 12.169 8.406 6.216 1.00 0.51 N ATOM 479 CA CYS A 32 12.234 9.754 5.583 1.00 0.54 C ATOM 480 C CYS A 32 11.149 10.668 6.163 1.00 0.48 C ATOM 481 O CYS A 32 10.251 10.213 6.844 1.00 0.42 O ATOM 482 CB CYS A 32 12.034 9.609 4.078 1.00 0.52 C ATOM 483 SG CYS A 32 12.373 11.061 3.053 1.00 0.91 S ATOM 0 H CYS A 32 12.117 7.621 5.567 1.00 0.51 H new ATOM 0 HA CYS A 32 13.208 10.199 5.786 1.00 0.54 H new ATOM 0 HB2 CYS A 32 12.669 8.795 3.730 1.00 0.52 H new ATOM 0 HB3 CYS A 32 11.002 9.305 3.902 1.00 0.52 H new ATOM 0 HG CYS A 32 11.482 11.144 2.110 1.00 0.91 H new ATOM 489 N GLY A 33 11.254 11.940 5.877 1.00 0.51 N ATOM 490 CA GLY A 33 10.242 12.903 6.411 1.00 0.48 C ATOM 491 C GLY A 33 9.163 13.227 5.360 1.00 0.46 C ATOM 492 O GLY A 33 8.022 12.831 5.498 1.00 0.40 O ATOM 0 H GLY A 33 11.989 12.352 5.302 1.00 0.51 H new ATOM 0 HA2 GLY A 33 9.771 12.483 7.300 1.00 0.48 H new ATOM 0 HA3 GLY A 33 10.740 13.823 6.719 1.00 0.48 H new ATOM 496 N PRO A 34 9.554 13.943 4.322 1.00 0.54 N ATOM 497 CA PRO A 34 8.622 14.334 3.255 1.00 0.56 C ATOM 498 C PRO A 34 7.813 13.136 2.749 1.00 0.50 C ATOM 499 O PRO A 34 6.766 13.301 2.157 1.00 0.57 O ATOM 500 CB PRO A 34 9.507 14.906 2.142 1.00 0.66 C ATOM 501 CG PRO A 34 10.948 15.036 2.723 1.00 0.70 C ATOM 502 CD PRO A 34 10.941 14.390 4.122 1.00 0.62 C ATOM 0 HA PRO A 34 7.889 15.058 3.610 1.00 0.56 H new ATOM 0 HB2 PRO A 34 9.501 14.252 1.270 1.00 0.66 H new ATOM 0 HB3 PRO A 34 9.135 15.877 1.814 1.00 0.66 H new ATOM 0 HG2 PRO A 34 11.670 14.539 2.074 1.00 0.70 H new ATOM 0 HG3 PRO A 34 11.244 16.083 2.785 1.00 0.70 H new ATOM 0 HD2 PRO A 34 11.638 13.553 4.175 1.00 0.62 H new ATOM 0 HD3 PRO A 34 11.241 15.104 4.889 1.00 0.62 H new ATOM 510 N CYS A 35 8.310 11.955 2.987 1.00 0.44 N ATOM 511 CA CYS A 35 7.557 10.752 2.529 1.00 0.35 C ATOM 512 C CYS A 35 6.501 10.384 3.568 1.00 0.34 C ATOM 513 O CYS A 35 5.434 9.911 3.229 1.00 0.34 O ATOM 514 CB CYS A 35 8.518 9.580 2.342 1.00 0.30 C ATOM 515 SG CYS A 35 10.062 9.903 1.456 1.00 0.59 S ATOM 0 H CYS A 35 9.189 11.770 3.470 1.00 0.44 H new ATOM 0 HA CYS A 35 7.071 10.974 1.579 1.00 0.35 H new ATOM 0 HB2 CYS A 35 8.771 9.191 3.328 1.00 0.30 H new ATOM 0 HB3 CYS A 35 7.986 8.789 1.814 1.00 0.30 H new ATOM 0 HG CYS A 35 11.066 9.774 2.272 1.00 0.59 H new ATOM 521 N LYS A 36 6.818 10.612 4.818 1.00 0.34 N ATOM 522 CA LYS A 36 5.838 10.285 5.887 1.00 0.32 C ATOM 523 C LYS A 36 5.020 11.529 6.250 1.00 0.48 C ATOM 524 O LYS A 36 4.237 11.513 7.174 1.00 0.67 O ATOM 525 CB LYS A 36 6.580 9.769 7.123 1.00 0.37 C ATOM 526 CG LYS A 36 5.545 9.450 8.216 1.00 0.26 C ATOM 527 CD LYS A 36 6.033 8.300 9.114 1.00 0.80 C ATOM 528 CE LYS A 36 5.708 8.641 10.570 1.00 1.24 C ATOM 529 NZ LYS A 36 4.310 9.140 10.692 1.00 2.31 N ATOM 0 H LYS A 36 7.703 11.006 5.138 1.00 0.34 H new ATOM 0 HA LYS A 36 5.160 9.512 5.525 1.00 0.32 H new ATOM 0 HB2 LYS A 36 7.155 8.877 6.874 1.00 0.37 H new ATOM 0 HB3 LYS A 36 7.289 10.517 7.479 1.00 0.37 H new ATOM 0 HG2 LYS A 36 5.364 10.338 8.822 1.00 0.26 H new ATOM 0 HG3 LYS A 36 4.595 9.179 7.755 1.00 0.26 H new ATOM 0 HD2 LYS A 36 5.549 7.366 8.828 1.00 0.80 H new ATOM 0 HD3 LYS A 36 7.106 8.154 8.991 1.00 0.80 H new ATOM 0 HE2 LYS A 36 5.840 7.757 11.194 1.00 1.24 H new ATOM 0 HE3 LYS A 36 6.403 9.397 10.936 1.00 1.24 H new ATOM 0 HZ1 LYS A 36 4.287 9.952 11.342 1.00 2.31 H new ATOM 0 HZ2 LYS A 36 3.964 9.435 9.757 1.00 2.31 H new ATOM 0 HZ3 LYS A 36 3.702 8.382 11.063 1.00 2.31 H new ATOM 543 N MET A 37 5.224 12.587 5.521 1.00 0.43 N ATOM 544 CA MET A 37 4.441 13.821 5.807 1.00 0.57 C ATOM 545 C MET A 37 3.041 13.669 5.211 1.00 0.59 C ATOM 546 O MET A 37 2.106 14.330 5.616 1.00 0.68 O ATOM 547 CB MET A 37 5.141 15.023 5.177 1.00 0.65 C ATOM 548 CG MET A 37 5.954 15.752 6.249 1.00 2.01 C ATOM 549 SD MET A 37 7.027 14.750 7.308 1.00 4.09 S ATOM 550 CE MET A 37 7.724 16.109 8.279 1.00 4.85 C ATOM 0 H MET A 37 5.888 12.653 4.750 1.00 0.43 H new ATOM 0 HA MET A 37 4.367 13.974 6.884 1.00 0.57 H new ATOM 0 HB2 MET A 37 5.794 14.696 4.368 1.00 0.65 H new ATOM 0 HB3 MET A 37 4.406 15.698 4.739 1.00 0.65 H new ATOM 0 HG2 MET A 37 6.574 16.498 5.752 1.00 2.01 H new ATOM 0 HG3 MET A 37 5.258 16.292 6.890 1.00 2.01 H new ATOM 0 HE1 MET A 37 8.428 15.710 9.010 1.00 4.85 H new ATOM 0 HE2 MET A 37 8.243 16.801 7.616 1.00 4.85 H new ATOM 0 HE3 MET A 37 6.922 16.635 8.797 1.00 4.85 H new ATOM 560 N ILE A 38 2.941 12.788 4.254 1.00 0.51 N ATOM 561 CA ILE A 38 1.623 12.543 3.599 1.00 0.55 C ATOM 562 C ILE A 38 0.998 11.251 4.154 1.00 0.44 C ATOM 563 O ILE A 38 0.240 10.580 3.486 1.00 0.49 O ATOM 564 CB ILE A 38 1.853 12.410 2.093 1.00 0.63 C ATOM 565 CG1 ILE A 38 2.443 13.723 1.561 1.00 0.88 C ATOM 566 CG2 ILE A 38 0.523 12.140 1.400 1.00 0.82 C ATOM 567 CD1 ILE A 38 3.103 13.471 0.204 1.00 1.20 C ATOM 0 H ILE A 38 3.714 12.227 3.897 1.00 0.51 H new ATOM 0 HA ILE A 38 0.942 13.370 3.800 1.00 0.55 H new ATOM 0 HB ILE A 38 2.540 11.587 1.896 1.00 0.63 H new ATOM 0 HG12 ILE A 38 1.659 14.473 1.462 1.00 0.88 H new ATOM 0 HG13 ILE A 38 3.175 14.118 2.266 1.00 0.88 H new ATOM 0 HG21 ILE A 38 0.685 12.045 0.326 1.00 0.82 H new ATOM 0 HG22 ILE A 38 0.093 11.216 1.785 1.00 0.82 H new ATOM 0 HG23 ILE A 38 -0.162 12.966 1.592 1.00 0.82 H new ATOM 0 HD11 ILE A 38 3.523 14.403 -0.175 1.00 1.20 H new ATOM 0 HD12 ILE A 38 3.899 12.735 0.317 1.00 1.20 H new ATOM 0 HD13 ILE A 38 2.359 13.096 -0.498 1.00 1.20 H new ATOM 579 N LYS A 39 1.336 10.942 5.378 1.00 0.43 N ATOM 580 CA LYS A 39 0.790 9.703 6.014 1.00 0.30 C ATOM 581 C LYS A 39 -0.653 9.908 6.528 1.00 0.19 C ATOM 582 O LYS A 39 -1.509 9.078 6.291 1.00 0.15 O ATOM 583 CB LYS A 39 1.678 9.301 7.203 1.00 0.33 C ATOM 584 CG LYS A 39 2.231 7.869 7.027 1.00 0.57 C ATOM 585 CD LYS A 39 2.520 7.280 8.409 1.00 0.35 C ATOM 586 CE LYS A 39 3.077 5.864 8.247 1.00 0.93 C ATOM 587 NZ LYS A 39 3.902 5.489 9.429 1.00 0.78 N ATOM 0 H LYS A 39 1.964 11.491 5.965 1.00 0.43 H new ATOM 0 HA LYS A 39 0.780 8.922 5.254 1.00 0.30 H new ATOM 0 HB2 LYS A 39 2.505 10.004 7.297 1.00 0.33 H new ATOM 0 HB3 LYS A 39 1.103 9.361 8.127 1.00 0.33 H new ATOM 0 HG2 LYS A 39 1.510 7.248 6.495 1.00 0.57 H new ATOM 0 HG3 LYS A 39 3.140 7.887 6.426 1.00 0.57 H new ATOM 0 HD2 LYS A 39 3.236 7.906 8.942 1.00 0.35 H new ATOM 0 HD3 LYS A 39 1.608 7.259 9.006 1.00 0.35 H new ATOM 0 HE2 LYS A 39 2.257 5.156 8.129 1.00 0.93 H new ATOM 0 HE3 LYS A 39 3.681 5.806 7.341 1.00 0.93 H new ATOM 0 HZ1 LYS A 39 4.885 5.328 9.129 1.00 0.78 H new ATOM 0 HZ2 LYS A 39 3.875 6.258 10.129 1.00 0.78 H new ATOM 0 HZ3 LYS A 39 3.523 4.619 9.855 1.00 0.78 H new ATOM 601 N PRO A 40 -0.904 11.013 7.232 1.00 0.23 N ATOM 602 CA PRO A 40 -2.243 11.271 7.778 1.00 0.17 C ATOM 603 C PRO A 40 -3.281 11.270 6.656 1.00 0.12 C ATOM 604 O PRO A 40 -4.459 11.441 6.891 1.00 0.10 O ATOM 605 CB PRO A 40 -2.150 12.642 8.455 1.00 0.29 C ATOM 606 CG PRO A 40 -0.648 13.060 8.435 1.00 0.43 C ATOM 607 CD PRO A 40 0.085 12.075 7.508 1.00 0.36 C ATOM 0 HA PRO A 40 -2.556 10.504 8.486 1.00 0.17 H new ATOM 0 HB2 PRO A 40 -2.761 13.375 7.928 1.00 0.29 H new ATOM 0 HB3 PRO A 40 -2.523 12.593 9.478 1.00 0.29 H new ATOM 0 HG2 PRO A 40 -0.538 14.083 8.074 1.00 0.43 H new ATOM 0 HG3 PRO A 40 -0.226 13.029 9.440 1.00 0.43 H new ATOM 0 HD2 PRO A 40 0.409 12.563 6.589 1.00 0.36 H new ATOM 0 HD3 PRO A 40 0.977 11.671 7.986 1.00 0.36 H new ATOM 615 N PHE A 41 -2.807 11.086 5.459 1.00 0.21 N ATOM 616 CA PHE A 41 -3.728 11.035 4.301 1.00 0.28 C ATOM 617 C PHE A 41 -4.025 9.565 3.968 1.00 0.27 C ATOM 618 O PHE A 41 -5.166 9.178 3.804 1.00 0.30 O ATOM 619 CB PHE A 41 -3.056 11.725 3.119 1.00 0.38 C ATOM 620 CG PHE A 41 -2.956 13.225 3.411 1.00 0.52 C ATOM 621 CD1 PHE A 41 -1.928 13.721 4.193 1.00 0.54 C ATOM 622 CD2 PHE A 41 -3.893 14.105 2.898 1.00 0.66 C ATOM 623 CE1 PHE A 41 -1.839 15.073 4.456 1.00 0.67 C ATOM 624 CE2 PHE A 41 -3.802 15.457 3.163 1.00 0.78 C ATOM 625 CZ PHE A 41 -2.776 15.939 3.940 1.00 0.77 C ATOM 0 H PHE A 41 -1.819 10.969 5.235 1.00 0.21 H new ATOM 0 HA PHE A 41 -4.666 11.542 4.527 1.00 0.28 H new ATOM 0 HB2 PHE A 41 -2.063 11.306 2.953 1.00 0.38 H new ATOM 0 HB3 PHE A 41 -3.630 11.556 2.208 1.00 0.38 H new ATOM 0 HD1 PHE A 41 -1.190 13.046 4.600 1.00 0.54 H new ATOM 0 HD2 PHE A 41 -4.701 13.732 2.286 1.00 0.66 H new ATOM 0 HE1 PHE A 41 -1.033 15.452 5.067 1.00 0.67 H new ATOM 0 HE2 PHE A 41 -4.538 16.137 2.759 1.00 0.78 H new ATOM 0 HZ PHE A 41 -2.705 16.997 4.146 1.00 0.77 H new ATOM 635 N PHE A 42 -2.981 8.775 3.876 1.00 0.27 N ATOM 636 CA PHE A 42 -3.175 7.323 3.579 1.00 0.28 C ATOM 637 C PHE A 42 -3.425 6.552 4.881 1.00 0.26 C ATOM 638 O PHE A 42 -4.433 5.891 5.036 1.00 0.65 O ATOM 639 CB PHE A 42 -1.920 6.769 2.899 1.00 0.30 C ATOM 640 CG PHE A 42 -2.116 5.274 2.621 1.00 0.24 C ATOM 641 CD1 PHE A 42 -3.052 4.853 1.692 1.00 0.26 C ATOM 642 CD2 PHE A 42 -1.363 4.321 3.294 1.00 0.18 C ATOM 643 CE1 PHE A 42 -3.233 3.508 1.441 1.00 0.23 C ATOM 644 CE2 PHE A 42 -1.548 2.978 3.041 1.00 0.13 C ATOM 645 CZ PHE A 42 -2.482 2.572 2.116 1.00 0.16 C ATOM 0 H PHE A 42 -2.012 9.071 3.993 1.00 0.27 H new ATOM 0 HA PHE A 42 -4.035 7.206 2.919 1.00 0.28 H new ATOM 0 HB2 PHE A 42 -1.731 7.303 1.968 1.00 0.30 H new ATOM 0 HB3 PHE A 42 -1.049 6.922 3.536 1.00 0.30 H new ATOM 0 HD1 PHE A 42 -3.645 5.582 1.160 1.00 0.26 H new ATOM 0 HD2 PHE A 42 -0.628 4.634 4.020 1.00 0.18 H new ATOM 0 HE1 PHE A 42 -3.965 3.189 0.714 1.00 0.23 H new ATOM 0 HE2 PHE A 42 -0.959 2.244 3.570 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.626 1.520 1.919 1.00 0.16 H new ATOM 655 N HIS A 43 -2.492 6.657 5.791 1.00 0.52 N ATOM 656 CA HIS A 43 -2.637 5.937 7.091 1.00 0.49 C ATOM 657 C HIS A 43 -3.946 6.350 7.789 1.00 0.48 C ATOM 658 O HIS A 43 -4.326 5.779 8.790 1.00 0.49 O ATOM 659 CB HIS A 43 -1.443 6.290 7.984 1.00 0.59 C ATOM 660 CG HIS A 43 -1.350 5.287 9.140 1.00 0.55 C ATOM 661 ND1 HIS A 43 -2.272 4.514 9.494 1.00 0.43 N ATOM 662 CD2 HIS A 43 -0.295 5.017 10.005 1.00 0.64 C ATOM 663 CE1 HIS A 43 -1.921 3.793 10.479 1.00 0.44 C ATOM 664 NE2 HIS A 43 -0.673 4.045 10.874 1.00 0.58 N ATOM 0 H HIS A 43 -1.639 7.208 5.691 1.00 0.52 H new ATOM 0 HA HIS A 43 -2.666 4.863 6.910 1.00 0.49 H new ATOM 0 HB2 HIS A 43 -0.522 6.274 7.401 1.00 0.59 H new ATOM 0 HB3 HIS A 43 -1.555 7.301 8.375 1.00 0.59 H new ATOM 0 HD1 HIS A 43 -3.188 4.470 9.047 1.00 0.43 H new ATOM 0 HD2 HIS A 43 0.670 5.502 9.988 1.00 0.64 H new ATOM 0 HE1 HIS A 43 -2.562 3.058 10.944 1.00 0.44 H new ATOM 672 N SER A 44 -4.605 7.335 7.243 1.00 0.48 N ATOM 673 CA SER A 44 -5.887 7.789 7.868 1.00 0.48 C ATOM 674 C SER A 44 -7.073 7.008 7.294 1.00 0.42 C ATOM 675 O SER A 44 -8.120 6.926 7.904 1.00 0.45 O ATOM 676 CB SER A 44 -6.079 9.278 7.592 1.00 0.56 C ATOM 677 OG SER A 44 -5.225 9.916 8.529 1.00 1.77 O ATOM 0 H SER A 44 -4.320 7.841 6.404 1.00 0.48 H new ATOM 0 HA SER A 44 -5.839 7.610 8.942 1.00 0.48 H new ATOM 0 HB2 SER A 44 -5.807 9.532 6.567 1.00 0.56 H new ATOM 0 HB3 SER A 44 -7.118 9.578 7.730 1.00 0.56 H new ATOM 0 HG SER A 44 -5.006 10.817 8.211 1.00 1.77 H new ATOM 683 N LEU A 45 -6.881 6.452 6.134 1.00 0.38 N ATOM 684 CA LEU A 45 -7.989 5.672 5.503 1.00 0.38 C ATOM 685 C LEU A 45 -8.294 4.424 6.338 1.00 0.32 C ATOM 686 O LEU A 45 -9.256 3.726 6.090 1.00 0.35 O ATOM 687 CB LEU A 45 -7.567 5.253 4.095 1.00 0.36 C ATOM 688 CG LEU A 45 -7.123 6.493 3.310 1.00 0.41 C ATOM 689 CD1 LEU A 45 -6.695 6.070 1.904 1.00 0.38 C ATOM 690 CD2 LEU A 45 -8.292 7.475 3.204 1.00 0.44 C ATOM 0 H LEU A 45 -6.016 6.500 5.596 1.00 0.38 H new ATOM 0 HA LEU A 45 -8.884 6.292 5.453 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -6.753 4.530 4.147 1.00 0.36 H new ATOM 0 HB3 LEU A 45 -8.396 4.763 3.585 1.00 0.36 H new ATOM 0 HG LEU A 45 -6.289 6.971 3.824 1.00 0.41 H new ATOM 0 HD11 LEU A 45 -6.378 6.948 1.341 1.00 0.38 H new ATOM 0 HD12 LEU A 45 -5.867 5.364 1.973 1.00 0.38 H new ATOM 0 HD13 LEU A 45 -7.534 5.596 1.395 1.00 0.38 H new ATOM 0 HD21 LEU A 45 -7.977 8.357 2.646 1.00 0.44 H new ATOM 0 HD22 LEU A 45 -9.124 6.996 2.687 1.00 0.44 H new ATOM 0 HD23 LEU A 45 -8.609 7.772 4.204 1.00 0.44 H new ATOM 702 N SER A 46 -7.462 4.175 7.309 1.00 0.25 N ATOM 703 CA SER A 46 -7.678 2.979 8.175 1.00 0.22 C ATOM 704 C SER A 46 -9.077 3.015 8.803 1.00 0.31 C ATOM 705 O SER A 46 -9.638 1.987 9.127 1.00 0.27 O ATOM 706 CB SER A 46 -6.632 2.977 9.284 1.00 0.14 C ATOM 707 OG SER A 46 -6.303 1.606 9.445 1.00 0.85 O ATOM 0 H SER A 46 -6.647 4.742 7.541 1.00 0.25 H new ATOM 0 HA SER A 46 -7.589 2.079 7.567 1.00 0.22 H new ATOM 0 HB2 SER A 46 -5.758 3.567 9.009 1.00 0.14 H new ATOM 0 HB3 SER A 46 -7.027 3.403 10.206 1.00 0.14 H new ATOM 0 HG SER A 46 -6.041 1.439 10.374 1.00 0.85 H new ATOM 713 N GLU A 47 -9.607 4.200 8.961 1.00 0.43 N ATOM 714 CA GLU A 47 -10.964 4.324 9.581 1.00 0.52 C ATOM 715 C GLU A 47 -12.034 4.555 8.507 1.00 0.57 C ATOM 716 O GLU A 47 -13.168 4.146 8.662 1.00 0.63 O ATOM 717 CB GLU A 47 -10.959 5.506 10.548 1.00 0.59 C ATOM 718 CG GLU A 47 -10.273 5.086 11.848 1.00 0.51 C ATOM 719 CD GLU A 47 -10.230 6.281 12.803 1.00 1.34 C ATOM 720 OE1 GLU A 47 -9.391 7.134 12.565 1.00 2.55 O ATOM 721 OE2 GLU A 47 -11.040 6.273 13.715 1.00 1.23 O ATOM 0 H GLU A 47 -9.166 5.080 8.692 1.00 0.43 H new ATOM 0 HA GLU A 47 -11.197 3.400 10.110 1.00 0.52 H new ATOM 0 HB2 GLU A 47 -10.436 6.353 10.104 1.00 0.59 H new ATOM 0 HB3 GLU A 47 -11.980 5.831 10.749 1.00 0.59 H new ATOM 0 HG2 GLU A 47 -10.813 4.258 12.307 1.00 0.51 H new ATOM 0 HG3 GLU A 47 -9.262 4.733 11.642 1.00 0.51 H new ATOM 728 N LYS A 48 -11.655 5.207 7.445 1.00 0.64 N ATOM 729 CA LYS A 48 -12.647 5.478 6.365 1.00 0.72 C ATOM 730 C LYS A 48 -13.230 4.168 5.828 1.00 0.49 C ATOM 731 O LYS A 48 -14.377 3.852 6.072 1.00 0.40 O ATOM 732 CB LYS A 48 -11.957 6.230 5.228 1.00 0.93 C ATOM 733 CG LYS A 48 -13.016 6.727 4.246 1.00 1.51 C ATOM 734 CD LYS A 48 -12.348 7.617 3.198 1.00 2.93 C ATOM 735 CE LYS A 48 -13.409 8.119 2.218 1.00 3.36 C ATOM 736 NZ LYS A 48 -12.768 8.666 0.990 1.00 4.52 N ATOM 0 H LYS A 48 -10.713 5.561 7.277 1.00 0.64 H new ATOM 0 HA LYS A 48 -13.459 6.079 6.774 1.00 0.72 H new ATOM 0 HB2 LYS A 48 -11.387 7.070 5.624 1.00 0.93 H new ATOM 0 HB3 LYS A 48 -11.249 5.576 4.719 1.00 0.93 H new ATOM 0 HG2 LYS A 48 -13.508 5.882 3.764 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -13.788 7.285 4.776 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -11.853 8.460 3.681 1.00 2.93 H new ATOM 0 HD3 LYS A 48 -11.579 7.058 2.665 1.00 2.93 H new ATOM 0 HE2 LYS A 48 -14.081 7.304 1.952 1.00 3.36 H new ATOM 0 HE3 LYS A 48 -14.015 8.890 2.693 1.00 3.36 H new ATOM 0 HZ1 LYS A 48 -13.494 8.829 0.263 1.00 4.52 H new ATOM 0 HZ2 LYS A 48 -12.296 9.565 1.216 1.00 4.52 H new ATOM 0 HZ3 LYS A 48 -12.066 7.987 0.633 1.00 4.52 H new ATOM 750 N TYR A 49 -12.428 3.435 5.107 1.00 0.50 N ATOM 751 CA TYR A 49 -12.925 2.147 4.542 1.00 0.43 C ATOM 752 C TYR A 49 -12.711 1.007 5.541 1.00 0.37 C ATOM 753 O TYR A 49 -11.591 0.658 5.858 1.00 0.33 O ATOM 754 CB TYR A 49 -12.164 1.840 3.255 1.00 0.64 C ATOM 755 CG TYR A 49 -12.737 2.676 2.110 1.00 0.69 C ATOM 756 CD1 TYR A 49 -13.844 2.240 1.412 1.00 0.66 C ATOM 757 CD2 TYR A 49 -12.156 3.876 1.759 1.00 0.78 C ATOM 758 CE1 TYR A 49 -14.362 2.991 0.377 1.00 0.71 C ATOM 759 CE2 TYR A 49 -12.674 4.629 0.724 1.00 0.86 C ATOM 760 CZ TYR A 49 -13.781 4.192 0.025 1.00 0.81 C ATOM 761 OH TYR A 49 -14.299 4.944 -1.010 1.00 0.88 O ATOM 0 H TYR A 49 -11.460 3.667 4.886 1.00 0.50 H new ATOM 0 HA TYR A 49 -13.991 2.237 4.335 1.00 0.43 H new ATOM 0 HB2 TYR A 49 -11.105 2.061 3.385 1.00 0.64 H new ATOM 0 HB3 TYR A 49 -12.242 0.779 3.019 1.00 0.64 H new ATOM 0 HD1 TYR A 49 -14.309 1.302 1.678 1.00 0.66 H new ATOM 0 HD2 TYR A 49 -11.289 4.230 2.298 1.00 0.78 H new ATOM 0 HE1 TYR A 49 -15.228 2.636 -0.161 1.00 0.71 H new ATOM 0 HE2 TYR A 49 -12.209 5.567 0.459 1.00 0.86 H new ATOM 0 HH TYR A 49 -13.767 5.759 -1.120 1.00 0.88 H new ATOM 771 N SER A 50 -13.792 0.451 6.014 1.00 0.56 N ATOM 772 CA SER A 50 -13.670 -0.673 6.988 1.00 0.56 C ATOM 773 C SER A 50 -13.749 -2.013 6.253 1.00 0.44 C ATOM 774 O SER A 50 -13.471 -3.052 6.818 1.00 0.39 O ATOM 775 CB SER A 50 -14.806 -0.578 8.005 1.00 0.75 C ATOM 776 OG SER A 50 -15.983 -0.721 7.225 1.00 0.79 O ATOM 0 H SER A 50 -14.745 0.722 5.772 1.00 0.56 H new ATOM 0 HA SER A 50 -12.710 -0.607 7.500 1.00 0.56 H new ATOM 0 HB2 SER A 50 -14.731 -1.360 8.760 1.00 0.75 H new ATOM 0 HB3 SER A 50 -14.791 0.376 8.532 1.00 0.75 H new ATOM 0 HG SER A 50 -16.769 -0.673 7.808 1.00 0.79 H new ATOM 782 N ASN A 51 -14.127 -1.954 5.004 1.00 0.43 N ATOM 783 CA ASN A 51 -14.237 -3.209 4.200 1.00 0.38 C ATOM 784 C ASN A 51 -13.046 -3.330 3.243 1.00 0.31 C ATOM 785 O ASN A 51 -13.140 -3.966 2.212 1.00 0.43 O ATOM 786 CB ASN A 51 -15.532 -3.168 3.392 1.00 0.57 C ATOM 787 CG ASN A 51 -15.854 -4.574 2.878 1.00 0.63 C ATOM 788 OD1 ASN A 51 -15.304 -5.028 1.895 1.00 1.02 O ATOM 789 ND2 ASN A 51 -16.738 -5.294 3.513 1.00 1.49 N ATOM 0 H ASN A 51 -14.364 -1.096 4.506 1.00 0.43 H new ATOM 0 HA ASN A 51 -14.240 -4.068 4.871 1.00 0.38 H new ATOM 0 HB2 ASN A 51 -16.349 -2.799 4.012 1.00 0.57 H new ATOM 0 HB3 ASN A 51 -15.430 -2.477 2.555 1.00 0.57 H new ATOM 0 HD21 ASN A 51 -16.964 -6.232 3.183 1.00 1.49 H new ATOM 0 HD22 ASN A 51 -17.203 -4.918 4.339 1.00 1.49 H new ATOM 796 N VAL A 52 -11.954 -2.711 3.606 1.00 0.35 N ATOM 797 CA VAL A 52 -10.744 -2.778 2.732 1.00 0.26 C ATOM 798 C VAL A 52 -9.483 -2.942 3.586 1.00 0.25 C ATOM 799 O VAL A 52 -9.440 -2.503 4.720 1.00 0.34 O ATOM 800 CB VAL A 52 -10.641 -1.491 1.918 1.00 0.27 C ATOM 801 CG1 VAL A 52 -9.470 -1.609 0.944 1.00 0.19 C ATOM 802 CG2 VAL A 52 -11.937 -1.289 1.127 1.00 0.30 C ATOM 0 H VAL A 52 -11.846 -2.166 4.462 1.00 0.35 H new ATOM 0 HA VAL A 52 -10.833 -3.635 2.064 1.00 0.26 H new ATOM 0 HB VAL A 52 -10.483 -0.644 2.585 1.00 0.27 H new ATOM 0 HG11 VAL A 52 -9.390 -0.693 0.359 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.547 -1.765 1.502 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.637 -2.454 0.275 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.868 -0.371 0.544 1.00 0.30 H new ATOM 0 HG22 VAL A 52 -12.089 -2.134 0.456 1.00 0.30 H new ATOM 0 HG23 VAL A 52 -12.777 -1.218 1.818 1.00 0.30 H new ATOM 812 N ILE A 53 -8.483 -3.570 3.019 1.00 0.15 N ATOM 813 CA ILE A 53 -7.211 -3.780 3.777 1.00 0.14 C ATOM 814 C ILE A 53 -6.115 -2.858 3.234 1.00 0.16 C ATOM 815 O ILE A 53 -5.955 -2.718 2.033 1.00 0.25 O ATOM 816 CB ILE A 53 -6.773 -5.243 3.621 1.00 0.15 C ATOM 817 CG1 ILE A 53 -7.937 -6.176 4.020 1.00 0.28 C ATOM 818 CG2 ILE A 53 -5.546 -5.520 4.508 1.00 0.24 C ATOM 819 CD1 ILE A 53 -8.445 -5.821 5.427 1.00 1.52 C ATOM 0 H ILE A 53 -8.492 -3.944 2.070 1.00 0.15 H new ATOM 0 HA ILE A 53 -7.375 -3.550 4.830 1.00 0.14 H new ATOM 0 HB ILE A 53 -6.504 -5.431 2.581 1.00 0.15 H new ATOM 0 HG12 ILE A 53 -8.749 -6.085 3.299 1.00 0.28 H new ATOM 0 HG13 ILE A 53 -7.605 -7.214 3.997 1.00 0.28 H new ATOM 0 HG21 ILE A 53 -5.241 -6.560 4.392 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.727 -4.866 4.210 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -5.801 -5.331 5.551 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -9.266 -6.486 5.696 1.00 1.52 H new ATOM 0 HD12 ILE A 53 -7.634 -5.936 6.146 1.00 1.52 H new ATOM 0 HD13 ILE A 53 -8.796 -4.789 5.437 1.00 1.52 H new ATOM 831 N PHE A 54 -5.385 -2.257 4.138 1.00 0.10 N ATOM 832 CA PHE A 54 -4.290 -1.329 3.721 1.00 0.11 C ATOM 833 C PHE A 54 -2.950 -1.804 4.284 1.00 0.13 C ATOM 834 O PHE A 54 -2.876 -2.274 5.403 1.00 0.21 O ATOM 835 CB PHE A 54 -4.599 0.068 4.257 1.00 0.10 C ATOM 836 CG PHE A 54 -5.905 0.563 3.641 1.00 0.10 C ATOM 837 CD1 PHE A 54 -5.897 1.269 2.452 1.00 0.07 C ATOM 838 CD2 PHE A 54 -7.113 0.310 4.265 1.00 0.14 C ATOM 839 CE1 PHE A 54 -7.076 1.715 1.896 1.00 0.07 C ATOM 840 CE2 PHE A 54 -8.293 0.757 3.707 1.00 0.14 C ATOM 841 CZ PHE A 54 -8.274 1.459 2.522 1.00 0.10 C ATOM 0 H PHE A 54 -5.499 -2.368 5.145 1.00 0.10 H new ATOM 0 HA PHE A 54 -4.226 -1.310 2.633 1.00 0.11 H new ATOM 0 HB2 PHE A 54 -4.681 0.044 5.344 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -3.786 0.752 4.014 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -4.960 1.472 1.956 1.00 0.07 H new ATOM 0 HD2 PHE A 54 -7.133 -0.240 5.194 1.00 0.14 H new ATOM 0 HE1 PHE A 54 -7.060 2.266 0.967 1.00 0.07 H new ATOM 0 HE2 PHE A 54 -9.233 0.556 4.200 1.00 0.14 H new ATOM 0 HZ PHE A 54 -9.198 1.808 2.085 1.00 0.10 H new ATOM 851 N LEU A 55 -1.923 -1.678 3.487 1.00 0.08 N ATOM 852 CA LEU A 55 -0.568 -2.099 3.946 1.00 0.09 C ATOM 853 C LEU A 55 0.444 -0.988 3.647 1.00 0.20 C ATOM 854 O LEU A 55 0.226 -0.162 2.781 1.00 0.36 O ATOM 855 CB LEU A 55 -0.144 -3.378 3.212 1.00 0.15 C ATOM 856 CG LEU A 55 -1.376 -4.268 2.955 1.00 0.39 C ATOM 857 CD1 LEU A 55 -2.162 -3.749 1.749 1.00 0.59 C ATOM 858 CD2 LEU A 55 -0.910 -5.688 2.645 1.00 0.40 C ATOM 0 H LEU A 55 -1.964 -1.302 2.540 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.599 -2.289 5.019 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.335 -3.123 2.267 1.00 0.15 H new ATOM 0 HB3 LEU A 55 0.591 -3.922 3.806 1.00 0.15 H new ATOM 0 HG LEU A 55 -2.011 -4.253 3.841 1.00 0.39 H new ATOM 0 HD11 LEU A 55 -3.030 -4.387 1.578 1.00 0.59 H new ATOM 0 HD12 LEU A 55 -2.494 -2.729 1.943 1.00 0.59 H new ATOM 0 HD13 LEU A 55 -1.523 -3.761 0.866 1.00 0.59 H new ATOM 0 HD21 LEU A 55 -1.776 -6.323 2.462 1.00 0.40 H new ATOM 0 HD22 LEU A 55 -0.274 -5.677 1.760 1.00 0.40 H new ATOM 0 HD23 LEU A 55 -0.346 -6.079 3.492 1.00 0.40 H new ATOM 870 N GLU A 56 1.527 -1.001 4.369 1.00 0.13 N ATOM 871 CA GLU A 56 2.582 0.040 4.159 1.00 0.22 C ATOM 872 C GLU A 56 3.956 -0.634 4.091 1.00 0.23 C ATOM 873 O GLU A 56 4.441 -1.150 5.079 1.00 0.20 O ATOM 874 CB GLU A 56 2.554 1.019 5.331 1.00 0.28 C ATOM 875 CG GLU A 56 3.356 2.268 4.961 1.00 0.51 C ATOM 876 CD GLU A 56 3.767 2.999 6.238 1.00 0.40 C ATOM 877 OE1 GLU A 56 2.996 2.919 7.180 1.00 0.72 O ATOM 878 OE2 GLU A 56 4.831 3.596 6.201 1.00 1.38 O ATOM 0 H GLU A 56 1.732 -1.685 5.097 1.00 0.13 H new ATOM 0 HA GLU A 56 2.394 0.574 3.227 1.00 0.22 H new ATOM 0 HB2 GLU A 56 1.526 1.290 5.570 1.00 0.28 H new ATOM 0 HB3 GLU A 56 2.975 0.552 6.221 1.00 0.28 H new ATOM 0 HG2 GLU A 56 4.240 1.990 4.387 1.00 0.51 H new ATOM 0 HG3 GLU A 56 2.758 2.924 4.329 1.00 0.51 H new ATOM 885 N VAL A 57 4.560 -0.614 2.932 1.00 0.30 N ATOM 886 CA VAL A 57 5.897 -1.270 2.801 1.00 0.33 C ATOM 887 C VAL A 57 7.024 -0.255 2.988 1.00 0.32 C ATOM 888 O VAL A 57 7.000 0.821 2.421 1.00 0.35 O ATOM 889 CB VAL A 57 6.024 -1.902 1.416 1.00 0.32 C ATOM 890 CG1 VAL A 57 7.474 -2.346 1.200 1.00 0.30 C ATOM 891 CG2 VAL A 57 5.109 -3.121 1.327 1.00 0.35 C ATOM 0 H VAL A 57 4.195 -0.181 2.084 1.00 0.30 H new ATOM 0 HA VAL A 57 5.979 -2.034 3.574 1.00 0.33 H new ATOM 0 HB VAL A 57 5.740 -1.176 0.655 1.00 0.32 H new ATOM 0 HG11 VAL A 57 7.573 -2.798 0.213 1.00 0.30 H new ATOM 0 HG12 VAL A 57 8.134 -1.481 1.270 1.00 0.30 H new ATOM 0 HG13 VAL A 57 7.749 -3.075 1.962 1.00 0.30 H new ATOM 0 HG21 VAL A 57 5.199 -3.572 0.339 1.00 0.35 H new ATOM 0 HG22 VAL A 57 5.397 -3.848 2.086 1.00 0.35 H new ATOM 0 HG23 VAL A 57 4.076 -2.814 1.493 1.00 0.35 H new ATOM 901 N ASP A 58 7.992 -0.624 3.782 1.00 0.33 N ATOM 902 CA ASP A 58 9.142 0.290 4.014 1.00 0.35 C ATOM 903 C ASP A 58 10.272 -0.057 3.040 1.00 0.35 C ATOM 904 O ASP A 58 10.918 -1.078 3.171 1.00 0.33 O ATOM 905 CB ASP A 58 9.632 0.122 5.448 1.00 0.42 C ATOM 906 CG ASP A 58 10.695 1.179 5.746 1.00 0.49 C ATOM 907 OD1 ASP A 58 10.741 2.130 4.982 1.00 1.04 O ATOM 908 OD2 ASP A 58 11.401 0.979 6.720 1.00 1.51 O ATOM 0 H ASP A 58 8.035 -1.515 4.277 1.00 0.33 H new ATOM 0 HA ASP A 58 8.832 1.322 3.853 1.00 0.35 H new ATOM 0 HB2 ASP A 58 8.799 0.222 6.143 1.00 0.42 H new ATOM 0 HB3 ASP A 58 10.046 -0.876 5.588 1.00 0.42 H new ATOM 913 N VAL A 59 10.489 0.802 2.083 1.00 0.37 N ATOM 914 CA VAL A 59 11.565 0.531 1.082 1.00 0.38 C ATOM 915 C VAL A 59 12.955 0.667 1.722 1.00 0.37 C ATOM 916 O VAL A 59 13.945 0.795 1.028 1.00 0.48 O ATOM 917 CB VAL A 59 11.437 1.529 -0.064 1.00 0.38 C ATOM 918 CG1 VAL A 59 10.030 1.437 -0.657 1.00 0.32 C ATOM 919 CG2 VAL A 59 11.668 2.944 0.473 1.00 0.37 C ATOM 0 H VAL A 59 9.975 1.673 1.949 1.00 0.37 H new ATOM 0 HA VAL A 59 11.454 -0.488 0.713 1.00 0.38 H new ATOM 0 HB VAL A 59 12.175 1.303 -0.834 1.00 0.38 H new ATOM 0 HG11 VAL A 59 9.933 2.149 -1.477 1.00 0.32 H new ATOM 0 HG12 VAL A 59 9.858 0.428 -1.031 1.00 0.32 H new ATOM 0 HG13 VAL A 59 9.295 1.669 0.113 1.00 0.32 H new ATOM 0 HG21 VAL A 59 11.578 3.662 -0.342 1.00 0.37 H new ATOM 0 HG22 VAL A 59 10.925 3.169 1.238 1.00 0.37 H new ATOM 0 HG23 VAL A 59 12.666 3.010 0.906 1.00 0.37 H new ATOM 929 N ASP A 60 12.999 0.633 3.028 1.00 0.26 N ATOM 930 CA ASP A 60 14.316 0.758 3.723 1.00 0.25 C ATOM 931 C ASP A 60 14.821 -0.623 4.154 1.00 0.35 C ATOM 932 O ASP A 60 15.914 -1.025 3.805 1.00 0.46 O ATOM 933 CB ASP A 60 14.148 1.647 4.952 1.00 0.36 C ATOM 934 CG ASP A 60 15.520 2.155 5.401 1.00 0.21 C ATOM 935 OD1 ASP A 60 15.898 3.202 4.903 1.00 0.82 O ATOM 936 OD2 ASP A 60 16.112 1.468 6.217 1.00 0.74 O ATOM 0 H ASP A 60 12.189 0.525 3.639 1.00 0.26 H new ATOM 0 HA ASP A 60 15.042 1.200 3.041 1.00 0.25 H new ATOM 0 HB2 ASP A 60 13.494 2.488 4.720 1.00 0.36 H new ATOM 0 HB3 ASP A 60 13.673 1.087 5.758 1.00 0.36 H new ATOM 941 N ASP A 61 14.010 -1.320 4.906 1.00 0.39 N ATOM 942 CA ASP A 61 14.423 -2.678 5.376 1.00 0.54 C ATOM 943 C ASP A 61 13.763 -3.763 4.517 1.00 0.53 C ATOM 944 O ASP A 61 14.206 -4.894 4.497 1.00 0.76 O ATOM 945 CB ASP A 61 13.989 -2.855 6.831 1.00 0.68 C ATOM 946 CG ASP A 61 14.663 -4.100 7.411 1.00 1.00 C ATOM 947 OD1 ASP A 61 15.882 -4.089 7.445 1.00 1.83 O ATOM 948 OD2 ASP A 61 13.919 -4.991 7.787 1.00 0.85 O ATOM 0 H ASP A 61 13.087 -1.012 5.214 1.00 0.39 H new ATOM 0 HA ASP A 61 15.506 -2.771 5.292 1.00 0.54 H new ATOM 0 HB2 ASP A 61 14.262 -1.975 7.414 1.00 0.68 H new ATOM 0 HB3 ASP A 61 12.905 -2.953 6.890 1.00 0.68 H new ATOM 953 N CYS A 62 12.720 -3.390 3.825 1.00 0.34 N ATOM 954 CA CYS A 62 12.012 -4.384 2.963 1.00 0.32 C ATOM 955 C CYS A 62 12.422 -4.200 1.499 1.00 0.35 C ATOM 956 O CYS A 62 11.614 -4.345 0.602 1.00 0.35 O ATOM 957 CB CYS A 62 10.505 -4.177 3.105 1.00 0.30 C ATOM 958 SG CYS A 62 9.876 -3.757 4.749 1.00 0.28 S ATOM 0 H CYS A 62 12.329 -2.448 3.818 1.00 0.34 H new ATOM 0 HA CYS A 62 12.280 -5.393 3.276 1.00 0.32 H new ATOM 0 HB2 CYS A 62 10.207 -3.385 2.418 1.00 0.30 H new ATOM 0 HB3 CYS A 62 10.007 -5.089 2.776 1.00 0.30 H new ATOM 0 HG CYS A 62 10.244 -4.668 5.600 1.00 0.28 H new ATOM 964 N GLN A 63 13.671 -3.884 1.289 1.00 0.41 N ATOM 965 CA GLN A 63 14.153 -3.686 -0.105 1.00 0.46 C ATOM 966 C GLN A 63 13.831 -4.914 -0.956 1.00 0.41 C ATOM 967 O GLN A 63 13.821 -4.847 -2.170 1.00 0.39 O ATOM 968 CB GLN A 63 15.664 -3.460 -0.086 1.00 0.61 C ATOM 969 CG GLN A 63 15.983 -2.263 0.810 1.00 0.20 C ATOM 970 CD GLN A 63 16.984 -2.690 1.886 1.00 1.45 C ATOM 971 OE1 GLN A 63 16.623 -3.273 2.889 1.00 2.81 O ATOM 972 NE2 GLN A 63 18.250 -2.419 1.717 1.00 1.34 N ATOM 0 H GLN A 63 14.373 -3.755 2.018 1.00 0.41 H new ATOM 0 HA GLN A 63 13.653 -2.819 -0.536 1.00 0.46 H new ATOM 0 HB2 GLN A 63 16.172 -4.351 0.283 1.00 0.61 H new ATOM 0 HB3 GLN A 63 16.029 -3.280 -1.097 1.00 0.61 H new ATOM 0 HG2 GLN A 63 16.396 -1.449 0.215 1.00 0.20 H new ATOM 0 HG3 GLN A 63 15.071 -1.888 1.274 1.00 0.20 H new ATOM 0 HE21 GLN A 63 18.559 -1.930 0.877 1.00 1.34 H new ATOM 0 HE22 GLN A 63 18.930 -2.697 2.425 1.00 1.34 H new ATOM 981 N ASP A 64 13.573 -6.008 -0.302 1.00 0.41 N ATOM 982 CA ASP A 64 13.253 -7.248 -1.054 1.00 0.40 C ATOM 983 C ASP A 64 11.923 -7.084 -1.782 1.00 0.31 C ATOM 984 O ASP A 64 11.799 -7.408 -2.947 1.00 0.31 O ATOM 985 CB ASP A 64 13.166 -8.424 -0.080 1.00 0.47 C ATOM 986 CG ASP A 64 12.296 -8.031 1.117 1.00 0.50 C ATOM 987 OD1 ASP A 64 12.769 -7.205 1.880 1.00 0.91 O ATOM 988 OD2 ASP A 64 11.210 -8.580 1.200 1.00 1.94 O ATOM 0 H ASP A 64 13.570 -6.097 0.714 1.00 0.41 H new ATOM 0 HA ASP A 64 14.038 -7.439 -1.786 1.00 0.40 H new ATOM 0 HB2 ASP A 64 12.743 -9.295 -0.581 1.00 0.47 H new ATOM 0 HB3 ASP A 64 14.163 -8.705 0.258 1.00 0.47 H new ATOM 993 N VAL A 65 10.962 -6.582 -1.076 1.00 0.26 N ATOM 994 CA VAL A 65 9.627 -6.376 -1.689 1.00 0.29 C ATOM 995 C VAL A 65 9.679 -5.226 -2.691 1.00 0.30 C ATOM 996 O VAL A 65 9.173 -5.329 -3.790 1.00 0.45 O ATOM 997 CB VAL A 65 8.626 -6.056 -0.597 1.00 0.33 C ATOM 998 CG1 VAL A 65 7.210 -6.277 -1.130 1.00 0.40 C ATOM 999 CG2 VAL A 65 8.868 -6.982 0.598 1.00 0.33 C ATOM 0 H VAL A 65 11.040 -6.304 -0.098 1.00 0.26 H new ATOM 0 HA VAL A 65 9.326 -7.283 -2.213 1.00 0.29 H new ATOM 0 HB VAL A 65 8.742 -5.018 -0.285 1.00 0.33 H new ATOM 0 HG11 VAL A 65 6.487 -6.048 -0.347 1.00 0.40 H new ATOM 0 HG12 VAL A 65 7.037 -5.624 -1.986 1.00 0.40 H new ATOM 0 HG13 VAL A 65 7.095 -7.316 -1.437 1.00 0.40 H new ATOM 0 HG21 VAL A 65 8.150 -6.755 1.386 1.00 0.33 H new ATOM 0 HG22 VAL A 65 8.747 -8.019 0.285 1.00 0.33 H new ATOM 0 HG23 VAL A 65 9.880 -6.832 0.975 1.00 0.33 H new ATOM 1009 N ALA A 66 10.287 -4.155 -2.287 1.00 0.19 N ATOM 1010 CA ALA A 66 10.392 -2.987 -3.199 1.00 0.29 C ATOM 1011 C ALA A 66 11.149 -3.384 -4.460 1.00 0.38 C ATOM 1012 O ALA A 66 10.739 -3.079 -5.563 1.00 0.51 O ATOM 1013 CB ALA A 66 11.133 -1.854 -2.488 1.00 0.26 C ATOM 0 H ALA A 66 10.715 -4.035 -1.369 1.00 0.19 H new ATOM 0 HA ALA A 66 9.392 -2.651 -3.475 1.00 0.29 H new ATOM 0 HB1 ALA A 66 11.211 -0.996 -3.155 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.585 -1.567 -1.591 1.00 0.26 H new ATOM 0 HB3 ALA A 66 12.132 -2.190 -2.211 1.00 0.26 H new ATOM 1019 N SER A 67 12.239 -4.058 -4.266 1.00 0.34 N ATOM 1020 CA SER A 67 13.045 -4.502 -5.433 1.00 0.43 C ATOM 1021 C SER A 67 12.255 -5.531 -6.241 1.00 0.47 C ATOM 1022 O SER A 67 12.614 -5.863 -7.353 1.00 0.57 O ATOM 1023 CB SER A 67 14.348 -5.129 -4.938 1.00 0.42 C ATOM 1024 OG SER A 67 15.065 -5.422 -6.129 1.00 0.84 O ATOM 0 H SER A 67 12.609 -4.322 -3.353 1.00 0.34 H new ATOM 0 HA SER A 67 13.271 -3.645 -6.067 1.00 0.43 H new ATOM 0 HB2 SER A 67 14.902 -4.443 -4.297 1.00 0.42 H new ATOM 0 HB3 SER A 67 14.160 -6.030 -4.354 1.00 0.42 H new ATOM 0 HG SER A 67 14.434 -5.662 -6.840 1.00 0.84 H new ATOM 1030 N GLU A 68 11.195 -6.013 -5.658 1.00 0.42 N ATOM 1031 CA GLU A 68 10.360 -7.014 -6.364 1.00 0.49 C ATOM 1032 C GLU A 68 9.495 -6.310 -7.397 1.00 0.64 C ATOM 1033 O GLU A 68 9.224 -6.836 -8.459 1.00 0.74 O ATOM 1034 CB GLU A 68 9.473 -7.733 -5.351 1.00 0.43 C ATOM 1035 CG GLU A 68 9.079 -9.098 -5.914 1.00 0.53 C ATOM 1036 CD GLU A 68 8.161 -9.811 -4.920 1.00 0.72 C ATOM 1037 OE1 GLU A 68 7.237 -9.152 -4.470 1.00 1.48 O ATOM 1038 OE2 GLU A 68 8.434 -10.972 -4.669 1.00 1.57 O ATOM 0 H GLU A 68 10.873 -5.756 -4.725 1.00 0.42 H new ATOM 0 HA GLU A 68 10.999 -7.741 -6.865 1.00 0.49 H new ATOM 0 HB2 GLU A 68 10.003 -7.854 -4.406 1.00 0.43 H new ATOM 0 HB3 GLU A 68 8.582 -7.140 -5.143 1.00 0.43 H new ATOM 0 HG2 GLU A 68 8.572 -8.976 -6.871 1.00 0.53 H new ATOM 0 HG3 GLU A 68 9.970 -9.698 -6.099 1.00 0.53 H new ATOM 1045 N CYS A 69 9.081 -5.134 -7.055 1.00 0.63 N ATOM 1046 CA CYS A 69 8.241 -4.344 -7.991 1.00 0.77 C ATOM 1047 C CYS A 69 9.140 -3.413 -8.804 1.00 0.84 C ATOM 1048 O CYS A 69 8.681 -2.684 -9.661 1.00 0.96 O ATOM 1049 CB CYS A 69 7.236 -3.525 -7.185 1.00 0.69 C ATOM 1050 SG CYS A 69 5.764 -4.387 -6.576 1.00 0.86 S ATOM 0 H CYS A 69 9.286 -4.680 -6.165 1.00 0.63 H new ATOM 0 HA CYS A 69 7.705 -5.008 -8.669 1.00 0.77 H new ATOM 0 HB2 CYS A 69 7.757 -3.100 -6.327 1.00 0.69 H new ATOM 0 HB3 CYS A 69 6.907 -2.690 -7.804 1.00 0.69 H new ATOM 0 HG CYS A 69 5.256 -3.727 -5.578 1.00 0.86 H new ATOM 1056 N GLU A 70 10.410 -3.464 -8.507 1.00 0.80 N ATOM 1057 CA GLU A 70 11.379 -2.604 -9.240 1.00 0.95 C ATOM 1058 C GLU A 70 10.946 -1.140 -9.191 1.00 0.85 C ATOM 1059 O GLU A 70 10.948 -0.459 -10.197 1.00 0.98 O ATOM 1060 CB GLU A 70 11.458 -3.062 -10.694 1.00 1.22 C ATOM 1061 CG GLU A 70 12.842 -2.723 -11.252 1.00 2.21 C ATOM 1062 CD GLU A 70 13.865 -3.724 -10.714 1.00 3.30 C ATOM 1063 OE1 GLU A 70 13.459 -4.519 -9.884 1.00 3.56 O ATOM 1064 OE2 GLU A 70 14.996 -3.638 -11.165 1.00 4.40 O ATOM 0 H GLU A 70 10.817 -4.064 -7.789 1.00 0.80 H new ATOM 0 HA GLU A 70 12.356 -2.693 -8.766 1.00 0.95 H new ATOM 0 HB2 GLU A 70 11.278 -4.135 -10.760 1.00 1.22 H new ATOM 0 HB3 GLU A 70 10.684 -2.572 -11.285 1.00 1.22 H new ATOM 0 HG2 GLU A 70 12.825 -2.754 -12.341 1.00 2.21 H new ATOM 0 HG3 GLU A 70 13.123 -1.709 -10.966 1.00 2.21 H new ATOM 1071 N VAL A 71 10.580 -0.682 -8.026 1.00 0.62 N ATOM 1072 CA VAL A 71 10.158 0.745 -7.919 1.00 0.52 C ATOM 1073 C VAL A 71 11.388 1.644 -7.769 1.00 0.68 C ATOM 1074 O VAL A 71 12.401 1.232 -7.238 1.00 0.92 O ATOM 1075 CB VAL A 71 9.251 0.928 -6.706 1.00 0.23 C ATOM 1076 CG1 VAL A 71 8.072 1.820 -7.094 1.00 0.30 C ATOM 1077 CG2 VAL A 71 8.722 -0.433 -6.255 1.00 0.24 C ATOM 0 H VAL A 71 10.554 -1.220 -7.160 1.00 0.62 H new ATOM 0 HA VAL A 71 9.616 1.020 -8.824 1.00 0.52 H new ATOM 0 HB VAL A 71 9.814 1.388 -5.894 1.00 0.23 H new ATOM 0 HG11 VAL A 71 7.419 1.955 -6.232 1.00 0.30 H new ATOM 0 HG12 VAL A 71 8.443 2.790 -7.424 1.00 0.30 H new ATOM 0 HG13 VAL A 71 7.512 1.351 -7.903 1.00 0.30 H new ATOM 0 HG21 VAL A 71 8.074 -0.302 -5.388 1.00 0.24 H new ATOM 0 HG22 VAL A 71 8.155 -0.890 -7.066 1.00 0.24 H new ATOM 0 HG23 VAL A 71 9.559 -1.078 -5.988 1.00 0.24 H new ATOM 1087 N LYS A 72 11.271 2.851 -8.242 1.00 0.62 N ATOM 1088 CA LYS A 72 12.418 3.798 -8.140 1.00 0.80 C ATOM 1089 C LYS A 72 11.904 5.203 -7.821 1.00 0.60 C ATOM 1090 O LYS A 72 12.595 6.182 -8.018 1.00 0.72 O ATOM 1091 CB LYS A 72 13.174 3.819 -9.466 1.00 1.11 C ATOM 1092 CG LYS A 72 14.670 3.658 -9.191 1.00 1.63 C ATOM 1093 CD LYS A 72 15.443 3.844 -10.498 1.00 1.67 C ATOM 1094 CE LYS A 72 16.302 5.106 -10.397 1.00 2.62 C ATOM 1095 NZ LYS A 72 17.386 4.920 -9.392 1.00 3.56 N ATOM 0 H LYS A 72 10.436 3.224 -8.693 1.00 0.62 H new ATOM 0 HA LYS A 72 13.086 3.473 -7.342 1.00 0.80 H new ATOM 0 HB2 LYS A 72 12.822 3.015 -10.113 1.00 1.11 H new ATOM 0 HB3 LYS A 72 12.987 4.756 -9.991 1.00 1.11 H new ATOM 0 HG2 LYS A 72 14.997 4.390 -8.453 1.00 1.63 H new ATOM 0 HG3 LYS A 72 14.871 2.672 -8.772 1.00 1.63 H new ATOM 0 HD2 LYS A 72 16.073 2.975 -10.689 1.00 1.67 H new ATOM 0 HD3 LYS A 72 14.751 3.927 -11.336 1.00 1.67 H new ATOM 0 HE2 LYS A 72 16.736 5.337 -11.370 1.00 2.62 H new ATOM 0 HE3 LYS A 72 15.679 5.955 -10.116 1.00 2.62 H new ATOM 0 HZ1 LYS A 72 18.186 5.542 -9.625 1.00 3.56 H new ATOM 0 HZ2 LYS A 72 17.027 5.158 -8.446 1.00 3.56 H new ATOM 0 HZ3 LYS A 72 17.703 3.930 -9.403 1.00 3.56 H new ATOM 1109 N CYS A 73 10.696 5.266 -7.334 1.00 0.35 N ATOM 1110 CA CYS A 73 10.113 6.594 -6.992 1.00 0.34 C ATOM 1111 C CYS A 73 9.001 6.427 -5.957 1.00 0.27 C ATOM 1112 O CYS A 73 8.045 5.710 -6.180 1.00 0.21 O ATOM 1113 CB CYS A 73 9.543 7.234 -8.257 1.00 0.33 C ATOM 1114 SG CYS A 73 8.499 6.201 -9.314 1.00 0.38 S ATOM 0 H CYS A 73 10.091 4.463 -7.159 1.00 0.35 H new ATOM 0 HA CYS A 73 10.892 7.232 -6.575 1.00 0.34 H new ATOM 0 HB2 CYS A 73 8.962 8.108 -7.960 1.00 0.33 H new ATOM 0 HB3 CYS A 73 10.378 7.595 -8.858 1.00 0.33 H new ATOM 0 HG CYS A 73 8.098 6.894 -10.338 1.00 0.38 H new ATOM 1120 N THR A 74 9.156 7.099 -4.847 1.00 0.28 N ATOM 1121 CA THR A 74 8.132 7.002 -3.764 1.00 0.21 C ATOM 1122 C THR A 74 7.421 8.367 -3.596 1.00 0.26 C ATOM 1123 O THR A 74 7.988 9.395 -3.910 1.00 0.33 O ATOM 1124 CB THR A 74 8.859 6.631 -2.463 1.00 0.16 C ATOM 1125 OG1 THR A 74 9.991 7.492 -2.426 1.00 0.30 O ATOM 1126 CG2 THR A 74 9.436 5.219 -2.530 1.00 0.18 C ATOM 0 H THR A 74 9.946 7.711 -4.643 1.00 0.28 H new ATOM 0 HA THR A 74 7.384 6.248 -4.010 1.00 0.21 H new ATOM 0 HB THR A 74 8.175 6.707 -1.618 1.00 0.16 H new ATOM 0 HG1 THR A 74 10.510 7.315 -1.614 1.00 0.30 H new ATOM 0 HG21 THR A 74 9.944 4.989 -1.593 1.00 0.18 H new ATOM 0 HG22 THR A 74 8.630 4.504 -2.691 1.00 0.18 H new ATOM 0 HG23 THR A 74 10.147 5.155 -3.353 1.00 0.18 H new ATOM 1134 N PRO A 75 6.185 8.359 -3.100 1.00 0.25 N ATOM 1135 CA PRO A 75 5.439 7.136 -2.721 1.00 0.18 C ATOM 1136 C PRO A 75 4.846 6.445 -3.962 1.00 0.17 C ATOM 1137 O PRO A 75 4.516 7.096 -4.939 1.00 0.26 O ATOM 1138 CB PRO A 75 4.303 7.640 -1.827 1.00 0.23 C ATOM 1139 CG PRO A 75 4.244 9.189 -1.990 1.00 0.32 C ATOM 1140 CD PRO A 75 5.466 9.608 -2.831 1.00 0.33 C ATOM 0 HA PRO A 75 6.083 6.408 -2.228 1.00 0.18 H new ATOM 0 HB2 PRO A 75 3.355 7.186 -2.116 1.00 0.23 H new ATOM 0 HB3 PRO A 75 4.482 7.369 -0.787 1.00 0.23 H new ATOM 0 HG2 PRO A 75 3.318 9.489 -2.481 1.00 0.32 H new ATOM 0 HG3 PRO A 75 4.261 9.679 -1.016 1.00 0.32 H new ATOM 0 HD2 PRO A 75 5.160 10.095 -3.757 1.00 0.33 H new ATOM 0 HD3 PRO A 75 6.094 10.317 -2.290 1.00 0.33 H new ATOM 1148 N THR A 76 4.726 5.141 -3.890 1.00 0.08 N ATOM 1149 CA THR A 76 4.147 4.377 -5.041 1.00 0.08 C ATOM 1150 C THR A 76 2.979 3.518 -4.543 1.00 0.10 C ATOM 1151 O THR A 76 3.140 2.711 -3.649 1.00 0.10 O ATOM 1152 CB THR A 76 5.229 3.480 -5.647 1.00 0.08 C ATOM 1153 OG1 THR A 76 5.949 4.330 -6.535 1.00 0.20 O ATOM 1154 CG2 THR A 76 4.623 2.392 -6.531 1.00 0.11 C ATOM 0 H THR A 76 5.002 4.575 -3.088 1.00 0.08 H new ATOM 0 HA THR A 76 3.786 5.070 -5.801 1.00 0.08 H new ATOM 0 HB THR A 76 5.817 3.018 -4.854 1.00 0.08 H new ATOM 0 HG1 THR A 76 6.720 4.714 -6.067 1.00 0.20 H new ATOM 0 HG21 THR A 76 5.420 1.774 -6.945 1.00 0.11 H new ATOM 0 HG22 THR A 76 3.953 1.771 -5.936 1.00 0.11 H new ATOM 0 HG23 THR A 76 4.063 2.854 -7.344 1.00 0.11 H new ATOM 1162 N PHE A 77 1.827 3.707 -5.135 1.00 0.11 N ATOM 1163 CA PHE A 77 0.634 2.924 -4.686 1.00 0.12 C ATOM 1164 C PHE A 77 0.358 1.746 -5.620 1.00 0.17 C ATOM 1165 O PHE A 77 0.337 1.898 -6.826 1.00 0.22 O ATOM 1166 CB PHE A 77 -0.583 3.840 -4.676 1.00 0.08 C ATOM 1167 CG PHE A 77 -0.506 4.757 -3.464 1.00 0.05 C ATOM 1168 CD1 PHE A 77 -0.664 4.241 -2.194 1.00 0.08 C ATOM 1169 CD2 PHE A 77 -0.280 6.114 -3.618 1.00 0.07 C ATOM 1170 CE1 PHE A 77 -0.598 5.068 -1.092 1.00 0.11 C ATOM 1171 CE2 PHE A 77 -0.214 6.938 -2.515 1.00 0.09 C ATOM 1172 CZ PHE A 77 -0.373 6.416 -1.253 1.00 0.11 C ATOM 0 H PHE A 77 1.661 4.361 -5.900 1.00 0.11 H new ATOM 0 HA PHE A 77 0.835 2.534 -3.688 1.00 0.12 H new ATOM 0 HB2 PHE A 77 -0.617 4.430 -5.592 1.00 0.08 H new ATOM 0 HB3 PHE A 77 -1.498 3.249 -4.643 1.00 0.08 H new ATOM 0 HD1 PHE A 77 -0.840 3.184 -2.062 1.00 0.08 H new ATOM 0 HD2 PHE A 77 -0.155 6.529 -4.607 1.00 0.07 H new ATOM 0 HE1 PHE A 77 -0.723 4.657 -0.101 1.00 0.11 H new ATOM 0 HE2 PHE A 77 -0.037 7.996 -2.642 1.00 0.09 H new ATOM 0 HZ PHE A 77 -0.321 7.063 -0.390 1.00 0.11 H new ATOM 1182 N GLN A 78 0.153 0.595 -5.031 1.00 0.17 N ATOM 1183 CA GLN A 78 -0.154 -0.620 -5.856 1.00 0.21 C ATOM 1184 C GLN A 78 -1.438 -1.290 -5.355 1.00 0.12 C ATOM 1185 O GLN A 78 -1.756 -1.234 -4.183 1.00 0.13 O ATOM 1186 CB GLN A 78 1.008 -1.605 -5.766 1.00 0.33 C ATOM 1187 CG GLN A 78 2.269 -0.968 -6.378 1.00 0.52 C ATOM 1188 CD GLN A 78 3.082 -2.036 -7.116 1.00 0.64 C ATOM 1189 OE1 GLN A 78 2.543 -2.920 -7.750 1.00 1.42 O ATOM 1190 NE2 GLN A 78 4.385 -1.986 -7.061 1.00 0.63 N ATOM 0 H GLN A 78 0.184 0.441 -4.023 1.00 0.17 H new ATOM 0 HA GLN A 78 -0.296 -0.317 -6.893 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.191 -1.873 -4.726 1.00 0.33 H new ATOM 0 HB3 GLN A 78 0.760 -2.526 -6.294 1.00 0.33 H new ATOM 0 HG2 GLN A 78 1.988 -0.171 -7.067 1.00 0.52 H new ATOM 0 HG3 GLN A 78 2.875 -0.513 -5.594 1.00 0.52 H new ATOM 0 HE21 GLN A 78 4.845 -1.246 -6.530 1.00 0.63 H new ATOM 0 HE22 GLN A 78 4.943 -2.687 -7.549 1.00 0.63 H new ATOM 1199 N PHE A 79 -2.143 -1.911 -6.265 1.00 0.16 N ATOM 1200 CA PHE A 79 -3.424 -2.586 -5.892 1.00 0.09 C ATOM 1201 C PHE A 79 -3.279 -4.104 -6.045 1.00 0.07 C ATOM 1202 O PHE A 79 -2.865 -4.581 -7.083 1.00 0.04 O ATOM 1203 CB PHE A 79 -4.534 -2.093 -6.829 1.00 0.15 C ATOM 1204 CG PHE A 79 -4.923 -0.645 -6.479 1.00 0.16 C ATOM 1205 CD1 PHE A 79 -3.997 0.386 -6.584 1.00 0.17 C ATOM 1206 CD2 PHE A 79 -6.208 -0.348 -6.054 1.00 0.17 C ATOM 1207 CE1 PHE A 79 -4.357 1.682 -6.267 1.00 0.18 C ATOM 1208 CE2 PHE A 79 -6.560 0.948 -5.741 1.00 0.19 C ATOM 1209 CZ PHE A 79 -5.636 1.960 -5.848 1.00 0.18 C ATOM 0 H PHE A 79 -1.888 -1.980 -7.250 1.00 0.16 H new ATOM 0 HA PHE A 79 -3.670 -2.351 -4.856 1.00 0.09 H new ATOM 0 HB2 PHE A 79 -4.196 -2.146 -7.864 1.00 0.15 H new ATOM 0 HB3 PHE A 79 -5.406 -2.742 -6.744 1.00 0.15 H new ATOM 0 HD1 PHE A 79 -2.991 0.173 -6.915 1.00 0.17 H new ATOM 0 HD2 PHE A 79 -6.940 -1.138 -5.967 1.00 0.17 H new ATOM 0 HE1 PHE A 79 -3.632 2.478 -6.349 1.00 0.18 H new ATOM 0 HE2 PHE A 79 -7.564 1.168 -5.411 1.00 0.19 H new ATOM 0 HZ PHE A 79 -5.915 2.974 -5.603 1.00 0.18 H new ATOM 1219 N PHE A 80 -3.623 -4.831 -5.004 1.00 0.08 N ATOM 1220 CA PHE A 80 -3.516 -6.323 -5.078 1.00 0.06 C ATOM 1221 C PHE A 80 -4.863 -6.968 -4.739 1.00 0.03 C ATOM 1222 O PHE A 80 -5.623 -6.453 -3.936 1.00 0.08 O ATOM 1223 CB PHE A 80 -2.460 -6.802 -4.082 1.00 0.07 C ATOM 1224 CG PHE A 80 -1.073 -6.379 -4.564 1.00 0.13 C ATOM 1225 CD1 PHE A 80 -0.447 -7.060 -5.595 1.00 0.22 C ATOM 1226 CD2 PHE A 80 -0.424 -5.309 -3.976 1.00 0.13 C ATOM 1227 CE1 PHE A 80 0.807 -6.675 -6.026 1.00 0.28 C ATOM 1228 CE2 PHE A 80 0.827 -4.927 -4.410 1.00 0.19 C ATOM 1229 CZ PHE A 80 1.442 -5.610 -5.433 1.00 0.26 C ATOM 0 H PHE A 80 -3.968 -4.460 -4.119 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.231 -6.610 -6.090 1.00 0.06 H new ATOM 0 HB2 PHE A 80 -2.658 -6.381 -3.096 1.00 0.07 H new ATOM 0 HB3 PHE A 80 -2.506 -7.886 -3.981 1.00 0.07 H new ATOM 0 HD1 PHE A 80 -0.943 -7.897 -6.064 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -0.901 -4.769 -3.171 1.00 0.13 H new ATOM 0 HE1 PHE A 80 1.289 -7.211 -6.830 1.00 0.28 H new ATOM 0 HE2 PHE A 80 1.326 -4.089 -3.946 1.00 0.19 H new ATOM 0 HZ PHE A 80 2.423 -5.310 -5.770 1.00 0.26 H new ATOM 1239 N LYS A 81 -5.131 -8.082 -5.367 1.00 0.09 N ATOM 1240 CA LYS A 81 -6.417 -8.789 -5.102 1.00 0.14 C ATOM 1241 C LYS A 81 -6.212 -10.303 -5.225 1.00 0.12 C ATOM 1242 O LYS A 81 -5.628 -10.777 -6.179 1.00 0.12 O ATOM 1243 CB LYS A 81 -7.460 -8.328 -6.121 1.00 0.17 C ATOM 1244 CG LYS A 81 -8.847 -8.800 -5.674 1.00 0.25 C ATOM 1245 CD LYS A 81 -9.860 -8.515 -6.789 1.00 0.48 C ATOM 1246 CE LYS A 81 -11.003 -7.666 -6.226 1.00 0.35 C ATOM 1247 NZ LYS A 81 -12.012 -7.383 -7.286 1.00 1.18 N ATOM 0 H LYS A 81 -4.519 -8.531 -6.048 1.00 0.09 H new ATOM 0 HA LYS A 81 -6.760 -8.557 -4.094 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.444 -7.242 -6.209 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.226 -8.731 -7.106 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -8.826 -9.866 -5.449 1.00 0.25 H new ATOM 0 HG3 LYS A 81 -9.142 -8.287 -4.759 1.00 0.25 H new ATOM 0 HD2 LYS A 81 -9.374 -7.992 -7.613 1.00 0.48 H new ATOM 0 HD3 LYS A 81 -10.250 -9.450 -7.191 1.00 0.48 H new ATOM 0 HE2 LYS A 81 -11.477 -8.188 -5.395 1.00 0.35 H new ATOM 0 HE3 LYS A 81 -10.609 -6.730 -5.831 1.00 0.35 H new ATOM 0 HZ1 LYS A 81 -12.781 -6.806 -6.888 1.00 1.18 H new ATOM 0 HZ2 LYS A 81 -11.560 -6.866 -8.067 1.00 1.18 H new ATOM 0 HZ3 LYS A 81 -12.401 -8.279 -7.643 1.00 1.18 H new ATOM 1261 N LYS A 82 -6.692 -11.028 -4.253 1.00 0.22 N ATOM 1262 CA LYS A 82 -6.525 -12.512 -4.295 1.00 0.30 C ATOM 1263 C LYS A 82 -5.044 -12.866 -4.467 1.00 0.31 C ATOM 1264 O LYS A 82 -4.703 -13.983 -4.801 1.00 0.48 O ATOM 1265 CB LYS A 82 -7.321 -13.078 -5.473 1.00 0.30 C ATOM 1266 CG LYS A 82 -8.415 -14.030 -4.957 1.00 0.45 C ATOM 1267 CD LYS A 82 -9.544 -13.221 -4.301 1.00 1.58 C ATOM 1268 CE LYS A 82 -10.760 -14.129 -4.110 1.00 1.62 C ATOM 1269 NZ LYS A 82 -10.423 -15.278 -3.221 1.00 2.44 N ATOM 0 H LYS A 82 -7.188 -10.665 -3.439 1.00 0.22 H new ATOM 0 HA LYS A 82 -6.890 -12.941 -3.362 1.00 0.30 H new ATOM 0 HB2 LYS A 82 -7.773 -12.265 -6.042 1.00 0.30 H new ATOM 0 HB3 LYS A 82 -6.654 -13.610 -6.152 1.00 0.30 H new ATOM 0 HG2 LYS A 82 -8.812 -14.623 -5.781 1.00 0.45 H new ATOM 0 HG3 LYS A 82 -7.991 -14.729 -4.237 1.00 0.45 H new ATOM 0 HD2 LYS A 82 -9.215 -12.825 -3.340 1.00 1.58 H new ATOM 0 HD3 LYS A 82 -9.806 -12.366 -4.925 1.00 1.58 H new ATOM 0 HE2 LYS A 82 -11.583 -13.558 -3.679 1.00 1.62 H new ATOM 0 HE3 LYS A 82 -11.100 -14.498 -5.077 1.00 1.62 H new ATOM 0 HZ1 LYS A 82 -11.294 -15.787 -2.966 1.00 2.44 H new ATOM 0 HZ2 LYS A 82 -9.778 -15.924 -3.718 1.00 2.44 H new ATOM 0 HZ3 LYS A 82 -9.962 -14.926 -2.358 1.00 2.44 H new ATOM 1283 N GLY A 83 -4.194 -11.902 -4.235 1.00 0.20 N ATOM 1284 CA GLY A 83 -2.735 -12.164 -4.382 1.00 0.19 C ATOM 1285 C GLY A 83 -2.286 -11.883 -5.817 1.00 0.19 C ATOM 1286 O GLY A 83 -1.348 -12.483 -6.305 1.00 0.40 O ATOM 0 H GLY A 83 -4.444 -10.954 -3.953 1.00 0.20 H new ATOM 0 HA2 GLY A 83 -2.175 -11.536 -3.689 1.00 0.19 H new ATOM 0 HA3 GLY A 83 -2.517 -13.200 -4.122 1.00 0.19 H new ATOM 1290 N GLN A 84 -2.969 -10.976 -6.466 1.00 0.11 N ATOM 1291 CA GLN A 84 -2.596 -10.639 -7.874 1.00 0.08 C ATOM 1292 C GLN A 84 -2.730 -9.131 -8.108 1.00 0.07 C ATOM 1293 O GLN A 84 -3.693 -8.517 -7.696 1.00 0.09 O ATOM 1294 CB GLN A 84 -3.521 -11.386 -8.835 1.00 0.06 C ATOM 1295 CG GLN A 84 -3.322 -12.894 -8.658 1.00 1.00 C ATOM 1296 CD GLN A 84 -4.203 -13.642 -9.660 1.00 0.90 C ATOM 1297 OE1 GLN A 84 -3.884 -13.748 -10.827 1.00 0.84 O ATOM 1298 NE2 GLN A 84 -5.319 -14.174 -9.245 1.00 1.78 N ATOM 0 H GLN A 84 -3.762 -10.458 -6.087 1.00 0.11 H new ATOM 0 HA GLN A 84 -1.562 -10.936 -8.050 1.00 0.08 H new ATOM 0 HB2 GLN A 84 -4.560 -11.119 -8.640 1.00 0.06 H new ATOM 0 HB3 GLN A 84 -3.306 -11.097 -9.864 1.00 0.06 H new ATOM 0 HG2 GLN A 84 -2.275 -13.155 -8.812 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.578 -13.189 -7.640 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -5.592 -14.088 -8.266 1.00 1.78 H new ATOM 0 HE22 GLN A 84 -5.919 -14.676 -9.899 1.00 1.78 H new ATOM 1307 N LYS A 85 -1.756 -8.569 -8.769 1.00 0.13 N ATOM 1308 CA LYS A 85 -1.799 -7.108 -9.043 1.00 0.15 C ATOM 1309 C LYS A 85 -2.899 -6.794 -10.065 1.00 0.18 C ATOM 1310 O LYS A 85 -3.093 -7.531 -11.013 1.00 0.26 O ATOM 1311 CB LYS A 85 -0.438 -6.679 -9.596 1.00 0.23 C ATOM 1312 CG LYS A 85 -0.329 -5.152 -9.599 1.00 0.26 C ATOM 1313 CD LYS A 85 1.145 -4.760 -9.718 1.00 0.32 C ATOM 1314 CE LYS A 85 1.707 -5.305 -11.033 1.00 0.30 C ATOM 1315 NZ LYS A 85 2.959 -4.586 -11.403 1.00 0.79 N ATOM 0 H LYS A 85 -0.936 -9.057 -9.129 1.00 0.13 H new ATOM 0 HA LYS A 85 -2.018 -6.566 -8.123 1.00 0.15 H new ATOM 0 HB2 LYS A 85 0.361 -7.107 -8.990 1.00 0.23 H new ATOM 0 HB3 LYS A 85 -0.311 -7.062 -10.608 1.00 0.23 H new ATOM 0 HG2 LYS A 85 -0.898 -4.735 -10.430 1.00 0.26 H new ATOM 0 HG3 LYS A 85 -0.755 -4.742 -8.683 1.00 0.26 H new ATOM 0 HD2 LYS A 85 1.249 -3.675 -9.686 1.00 0.32 H new ATOM 0 HD3 LYS A 85 1.709 -5.159 -8.875 1.00 0.32 H new ATOM 0 HE2 LYS A 85 1.909 -6.372 -10.935 1.00 0.30 H new ATOM 0 HE3 LYS A 85 0.968 -5.192 -11.826 1.00 0.30 H new ATOM 0 HZ1 LYS A 85 3.426 -5.084 -12.188 1.00 0.79 H new ATOM 0 HZ2 LYS A 85 2.728 -3.616 -11.697 1.00 0.79 H new ATOM 0 HZ3 LYS A 85 3.598 -4.556 -10.583 1.00 0.79 H new ATOM 1329 N VAL A 86 -3.595 -5.706 -9.845 1.00 0.17 N ATOM 1330 CA VAL A 86 -4.695 -5.323 -10.789 1.00 0.22 C ATOM 1331 C VAL A 86 -4.592 -3.837 -11.167 1.00 0.22 C ATOM 1332 O VAL A 86 -5.034 -3.434 -12.225 1.00 0.22 O ATOM 1333 CB VAL A 86 -6.039 -5.581 -10.109 1.00 0.24 C ATOM 1334 CG1 VAL A 86 -6.390 -7.066 -10.231 1.00 0.28 C ATOM 1335 CG2 VAL A 86 -5.930 -5.212 -8.630 1.00 0.19 C ATOM 0 H VAL A 86 -3.453 -5.070 -9.060 1.00 0.17 H new ATOM 0 HA VAL A 86 -4.609 -5.918 -11.698 1.00 0.22 H new ATOM 0 HB VAL A 86 -6.814 -4.980 -10.585 1.00 0.24 H new ATOM 0 HG11 VAL A 86 -7.348 -7.254 -9.747 1.00 0.28 H new ATOM 0 HG12 VAL A 86 -6.456 -7.339 -11.284 1.00 0.28 H new ATOM 0 HG13 VAL A 86 -5.616 -7.664 -9.749 1.00 0.28 H new ATOM 0 HG21 VAL A 86 -6.886 -5.394 -8.138 1.00 0.19 H new ATOM 0 HG22 VAL A 86 -5.158 -5.821 -8.159 1.00 0.19 H new ATOM 0 HG23 VAL A 86 -5.668 -4.158 -8.536 1.00 0.19 H new ATOM 1345 N GLY A 87 -4.010 -3.057 -10.297 1.00 0.25 N ATOM 1346 CA GLY A 87 -3.876 -1.598 -10.594 1.00 0.26 C ATOM 1347 C GLY A 87 -2.610 -1.037 -9.949 1.00 0.28 C ATOM 1348 O GLY A 87 -2.138 -1.556 -8.957 1.00 0.29 O ATOM 0 H GLY A 87 -3.625 -3.360 -9.403 1.00 0.25 H new ATOM 0 HA2 GLY A 87 -3.842 -1.442 -11.672 1.00 0.26 H new ATOM 0 HA3 GLY A 87 -4.749 -1.063 -10.221 1.00 0.26 H new ATOM 1352 N GLU A 88 -2.079 0.011 -10.523 1.00 0.30 N ATOM 1353 CA GLU A 88 -0.842 0.604 -9.935 1.00 0.31 C ATOM 1354 C GLU A 88 -0.605 2.022 -10.461 1.00 0.34 C ATOM 1355 O GLU A 88 -0.524 2.248 -11.652 1.00 0.39 O ATOM 1356 CB GLU A 88 0.352 -0.278 -10.295 1.00 0.34 C ATOM 1357 CG GLU A 88 0.528 -0.292 -11.817 1.00 1.18 C ATOM 1358 CD GLU A 88 1.193 -1.604 -12.238 1.00 1.56 C ATOM 1359 OE1 GLU A 88 0.449 -2.552 -12.427 1.00 2.75 O ATOM 1360 OE2 GLU A 88 2.409 -1.584 -12.346 1.00 1.01 O ATOM 0 H GLU A 88 -2.440 0.474 -11.357 1.00 0.30 H new ATOM 0 HA GLU A 88 -0.962 0.658 -8.853 1.00 0.31 H new ATOM 0 HB2 GLU A 88 1.255 0.099 -9.816 1.00 0.34 H new ATOM 0 HB3 GLU A 88 0.195 -1.291 -9.926 1.00 0.34 H new ATOM 0 HG2 GLU A 88 -0.440 -0.188 -12.307 1.00 1.18 H new ATOM 0 HG3 GLU A 88 1.137 0.555 -12.132 1.00 1.18 H new ATOM 1367 N PHE A 89 -0.498 2.946 -9.546 1.00 0.32 N ATOM 1368 CA PHE A 89 -0.250 4.355 -9.936 1.00 0.36 C ATOM 1369 C PHE A 89 0.597 5.046 -8.859 1.00 0.31 C ATOM 1370 O PHE A 89 0.335 4.908 -7.680 1.00 0.23 O ATOM 1371 CB PHE A 89 -1.594 5.052 -10.084 1.00 0.40 C ATOM 1372 CG PHE A 89 -2.025 5.657 -8.745 1.00 0.35 C ATOM 1373 CD1 PHE A 89 -1.538 6.886 -8.333 1.00 0.36 C ATOM 1374 CD2 PHE A 89 -2.914 4.978 -7.928 1.00 0.31 C ATOM 1375 CE1 PHE A 89 -1.934 7.424 -7.125 1.00 0.34 C ATOM 1376 CE2 PHE A 89 -3.308 5.518 -6.723 1.00 0.32 C ATOM 1377 CZ PHE A 89 -2.818 6.740 -6.321 1.00 0.33 C ATOM 0 H PHE A 89 -0.573 2.781 -8.542 1.00 0.32 H new ATOM 0 HA PHE A 89 0.293 4.400 -10.880 1.00 0.36 H new ATOM 0 HB2 PHE A 89 -1.525 5.834 -10.840 1.00 0.40 H new ATOM 0 HB3 PHE A 89 -2.345 4.341 -10.429 1.00 0.40 H new ATOM 0 HD1 PHE A 89 -0.845 7.427 -8.960 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -3.301 4.018 -8.238 1.00 0.31 H new ATOM 0 HE1 PHE A 89 -1.550 8.383 -6.810 1.00 0.34 H new ATOM 0 HE2 PHE A 89 -4.002 4.982 -6.093 1.00 0.32 H new ATOM 0 HZ PHE A 89 -3.127 7.162 -5.376 1.00 0.33 H new ATOM 1387 N SER A 90 1.598 5.769 -9.290 1.00 0.34 N ATOM 1388 CA SER A 90 2.482 6.467 -8.304 1.00 0.29 C ATOM 1389 C SER A 90 2.162 7.963 -8.260 1.00 0.40 C ATOM 1390 O SER A 90 1.478 8.478 -9.122 1.00 0.47 O ATOM 1391 CB SER A 90 3.940 6.273 -8.720 1.00 0.37 C ATOM 1392 OG SER A 90 4.049 6.985 -9.943 1.00 0.52 O ATOM 0 H SER A 90 1.842 5.907 -10.271 1.00 0.34 H new ATOM 0 HA SER A 90 2.313 6.045 -7.313 1.00 0.29 H new ATOM 0 HB2 SER A 90 4.625 6.665 -7.968 1.00 0.37 H new ATOM 0 HB3 SER A 90 4.180 5.218 -8.850 1.00 0.37 H new ATOM 0 HG SER A 90 4.965 6.913 -10.283 1.00 0.52 H new ATOM 1398 N GLY A 91 2.669 8.624 -7.246 1.00 0.43 N ATOM 1399 CA GLY A 91 2.417 10.092 -7.110 1.00 0.56 C ATOM 1400 C GLY A 91 1.754 10.397 -5.768 1.00 0.60 C ATOM 1401 O GLY A 91 0.931 9.640 -5.292 1.00 0.57 O ATOM 0 H GLY A 91 3.243 8.212 -6.511 1.00 0.43 H new ATOM 0 HA2 GLY A 91 3.357 10.638 -7.191 1.00 0.56 H new ATOM 0 HA3 GLY A 91 1.779 10.435 -7.924 1.00 0.56 H new ATOM 1405 N ALA A 92 2.126 11.502 -5.184 1.00 0.70 N ATOM 1406 CA ALA A 92 1.527 11.876 -3.872 1.00 0.76 C ATOM 1407 C ALA A 92 0.143 12.500 -4.080 1.00 0.71 C ATOM 1408 O ALA A 92 -0.162 13.535 -3.524 1.00 1.01 O ATOM 1409 CB ALA A 92 2.437 12.882 -3.178 1.00 0.90 C ATOM 0 H ALA A 92 2.814 12.158 -5.555 1.00 0.70 H new ATOM 0 HA ALA A 92 1.422 10.982 -3.258 1.00 0.76 H new ATOM 0 HB1 ALA A 92 2.005 13.161 -2.217 1.00 0.90 H new ATOM 0 HB2 ALA A 92 3.419 12.436 -3.019 1.00 0.90 H new ATOM 0 HB3 ALA A 92 2.539 13.771 -3.801 1.00 0.90 H new ATOM 1415 N ASN A 93 -0.662 11.859 -4.883 1.00 0.49 N ATOM 1416 CA ASN A 93 -2.031 12.399 -5.132 1.00 0.48 C ATOM 1417 C ASN A 93 -3.026 11.778 -4.143 1.00 0.62 C ATOM 1418 O ASN A 93 -2.968 10.596 -3.864 1.00 0.64 O ATOM 1419 CB ASN A 93 -2.451 12.062 -6.563 1.00 0.51 C ATOM 1420 CG ASN A 93 -3.563 13.016 -7.004 1.00 0.53 C ATOM 1421 OD1 ASN A 93 -3.915 13.081 -8.164 1.00 0.80 O ATOM 1422 ND2 ASN A 93 -4.140 13.772 -6.111 1.00 0.54 N ATOM 0 H ASN A 93 -0.435 10.994 -5.373 1.00 0.49 H new ATOM 0 HA ASN A 93 -2.024 13.480 -4.996 1.00 0.48 H new ATOM 0 HB2 ASN A 93 -1.596 12.147 -7.234 1.00 0.51 H new ATOM 0 HB3 ASN A 93 -2.798 11.030 -6.618 1.00 0.51 H new ATOM 0 HD21 ASN A 93 -4.883 14.413 -6.389 1.00 0.54 H new ATOM 0 HD22 ASN A 93 -3.848 13.722 -5.135 1.00 0.54 H new ATOM 1429 N LYS A 94 -3.920 12.589 -3.635 1.00 0.83 N ATOM 1430 CA LYS A 94 -4.921 12.063 -2.657 1.00 0.98 C ATOM 1431 C LYS A 94 -6.271 11.823 -3.342 1.00 0.83 C ATOM 1432 O LYS A 94 -6.791 10.725 -3.326 1.00 0.68 O ATOM 1433 CB LYS A 94 -5.107 13.079 -1.526 1.00 1.36 C ATOM 1434 CG LYS A 94 -3.756 13.326 -0.829 1.00 0.41 C ATOM 1435 CD LYS A 94 -2.831 14.159 -1.732 1.00 0.80 C ATOM 1436 CE LYS A 94 -2.137 15.225 -0.881 1.00 0.67 C ATOM 1437 NZ LYS A 94 -3.134 16.196 -0.346 1.00 0.75 N ATOM 0 H LYS A 94 -4.000 13.582 -3.852 1.00 0.83 H new ATOM 0 HA LYS A 94 -4.555 11.117 -2.258 1.00 0.98 H new ATOM 0 HB2 LYS A 94 -5.499 14.015 -1.924 1.00 1.36 H new ATOM 0 HB3 LYS A 94 -5.837 12.708 -0.806 1.00 1.36 H new ATOM 0 HG2 LYS A 94 -3.917 13.845 0.116 1.00 0.41 H new ATOM 0 HG3 LYS A 94 -3.282 12.373 -0.592 1.00 0.41 H new ATOM 0 HD2 LYS A 94 -2.091 13.516 -2.209 1.00 0.80 H new ATOM 0 HD3 LYS A 94 -3.406 14.629 -2.530 1.00 0.80 H new ATOM 0 HE2 LYS A 94 -1.604 14.751 -0.057 1.00 0.67 H new ATOM 0 HE3 LYS A 94 -1.394 15.751 -1.481 1.00 0.67 H new ATOM 0 HZ1 LYS A 94 -2.760 17.162 -0.435 1.00 0.75 H new ATOM 0 HZ2 LYS A 94 -4.020 16.116 -0.885 1.00 0.75 H new ATOM 0 HZ3 LYS A 94 -3.319 15.987 0.656 1.00 0.75 H new ATOM 1451 N GLU A 95 -6.810 12.855 -3.929 1.00 0.92 N ATOM 1452 CA GLU A 95 -8.124 12.707 -4.615 1.00 0.90 C ATOM 1453 C GLU A 95 -8.091 11.510 -5.569 1.00 0.66 C ATOM 1454 O GLU A 95 -9.111 11.087 -6.075 1.00 0.73 O ATOM 1455 CB GLU A 95 -8.422 13.979 -5.406 1.00 1.08 C ATOM 1456 CG GLU A 95 -8.915 15.065 -4.446 1.00 0.90 C ATOM 1457 CD GLU A 95 -10.443 15.095 -4.458 1.00 1.97 C ATOM 1458 OE1 GLU A 95 -11.006 14.367 -3.656 1.00 2.87 O ATOM 1459 OE2 GLU A 95 -10.964 15.843 -5.269 1.00 2.30 O ATOM 0 H GLU A 95 -6.401 13.789 -3.964 1.00 0.92 H new ATOM 0 HA GLU A 95 -8.901 12.542 -3.869 1.00 0.90 H new ATOM 0 HB2 GLU A 95 -7.526 14.316 -5.926 1.00 1.08 H new ATOM 0 HB3 GLU A 95 -9.176 13.780 -6.167 1.00 1.08 H new ATOM 0 HG2 GLU A 95 -8.552 14.867 -3.438 1.00 0.90 H new ATOM 0 HG3 GLU A 95 -8.519 16.036 -4.743 1.00 0.90 H new ATOM 1466 N LYS A 96 -6.915 10.993 -5.794 1.00 0.44 N ATOM 1467 CA LYS A 96 -6.791 9.826 -6.717 1.00 0.23 C ATOM 1468 C LYS A 96 -7.125 8.519 -5.985 1.00 0.20 C ATOM 1469 O LYS A 96 -7.971 7.770 -6.416 1.00 0.21 O ATOM 1470 CB LYS A 96 -5.360 9.763 -7.249 1.00 0.16 C ATOM 1471 CG LYS A 96 -5.225 8.572 -8.205 1.00 0.42 C ATOM 1472 CD LYS A 96 -4.198 8.907 -9.290 1.00 1.05 C ATOM 1473 CE LYS A 96 -4.895 9.660 -10.426 1.00 0.29 C ATOM 1474 NZ LYS A 96 -5.508 8.701 -11.391 1.00 1.92 N ATOM 0 H LYS A 96 -6.041 11.323 -5.384 1.00 0.44 H new ATOM 0 HA LYS A 96 -7.493 9.949 -7.542 1.00 0.23 H new ATOM 0 HB2 LYS A 96 -5.112 10.689 -7.767 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.657 9.662 -6.422 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.914 7.684 -7.656 1.00 0.42 H new ATOM 0 HG3 LYS A 96 -6.189 8.344 -8.659 1.00 0.42 H new ATOM 0 HD2 LYS A 96 -3.395 9.515 -8.873 1.00 1.05 H new ATOM 0 HD3 LYS A 96 -3.741 7.993 -9.670 1.00 1.05 H new ATOM 0 HE2 LYS A 96 -5.664 10.315 -10.017 1.00 0.29 H new ATOM 0 HE3 LYS A 96 -4.176 10.296 -10.943 1.00 0.29 H new ATOM 0 HZ1 LYS A 96 -5.976 9.229 -12.155 1.00 1.92 H new ATOM 0 HZ2 LYS A 96 -4.767 8.093 -11.794 1.00 1.92 H new ATOM 0 HZ3 LYS A 96 -6.209 8.112 -10.897 1.00 1.92 H new ATOM 1488 N LEU A 97 -6.450 8.278 -4.891 1.00 0.18 N ATOM 1489 CA LEU A 97 -6.708 7.015 -4.123 1.00 0.20 C ATOM 1490 C LEU A 97 -8.216 6.742 -4.030 1.00 0.20 C ATOM 1491 O LEU A 97 -8.674 5.656 -4.327 1.00 0.22 O ATOM 1492 CB LEU A 97 -6.142 7.155 -2.705 1.00 0.26 C ATOM 1493 CG LEU A 97 -4.631 7.442 -2.768 1.00 0.49 C ATOM 1494 CD1 LEU A 97 -4.189 8.125 -1.468 1.00 0.73 C ATOM 1495 CD2 LEU A 97 -3.860 6.124 -2.916 1.00 0.56 C ATOM 0 H LEU A 97 -5.737 8.892 -4.496 1.00 0.18 H new ATOM 0 HA LEU A 97 -6.225 6.187 -4.642 1.00 0.20 H new ATOM 0 HB2 LEU A 97 -6.652 7.962 -2.179 1.00 0.26 H new ATOM 0 HB3 LEU A 97 -6.324 6.241 -2.140 1.00 0.26 H new ATOM 0 HG LEU A 97 -4.425 8.088 -3.621 1.00 0.49 H new ATOM 0 HD11 LEU A 97 -3.119 8.329 -1.510 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -4.733 9.062 -1.346 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -4.400 7.470 -0.623 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -2.791 6.331 -2.960 1.00 0.56 H new ATOM 0 HD22 LEU A 97 -4.070 5.482 -2.061 1.00 0.56 H new ATOM 0 HD23 LEU A 97 -4.171 5.622 -3.832 1.00 0.56 H new ATOM 1507 N GLU A 98 -8.950 7.736 -3.618 1.00 0.27 N ATOM 1508 CA GLU A 98 -10.427 7.560 -3.483 1.00 0.29 C ATOM 1509 C GLU A 98 -11.030 6.965 -4.754 1.00 0.26 C ATOM 1510 O GLU A 98 -11.420 5.814 -4.784 1.00 0.21 O ATOM 1511 CB GLU A 98 -11.068 8.918 -3.210 1.00 0.37 C ATOM 1512 CG GLU A 98 -12.590 8.778 -3.296 1.00 0.68 C ATOM 1513 CD GLU A 98 -13.248 9.874 -2.456 1.00 0.69 C ATOM 1514 OE1 GLU A 98 -12.713 10.969 -2.481 1.00 1.42 O ATOM 1515 OE2 GLU A 98 -14.250 9.553 -1.837 1.00 1.22 O ATOM 0 H GLU A 98 -8.596 8.660 -3.369 1.00 0.27 H new ATOM 0 HA GLU A 98 -10.620 6.874 -2.658 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -10.778 9.279 -2.223 1.00 0.37 H new ATOM 0 HB3 GLU A 98 -10.716 9.653 -3.934 1.00 0.37 H new ATOM 0 HG2 GLU A 98 -12.915 8.855 -4.333 1.00 0.68 H new ATOM 0 HG3 GLU A 98 -12.897 7.796 -2.937 1.00 0.68 H new ATOM 1522 N ALA A 99 -11.088 7.761 -5.772 1.00 0.28 N ATOM 1523 CA ALA A 99 -11.685 7.274 -7.055 1.00 0.28 C ATOM 1524 C ALA A 99 -11.006 5.981 -7.507 1.00 0.22 C ATOM 1525 O ALA A 99 -11.640 5.108 -8.064 1.00 0.27 O ATOM 1526 CB ALA A 99 -11.514 8.345 -8.131 1.00 0.34 C ATOM 0 H ALA A 99 -10.753 8.724 -5.782 1.00 0.28 H new ATOM 0 HA ALA A 99 -12.745 7.074 -6.897 1.00 0.28 H new ATOM 0 HB1 ALA A 99 -11.948 7.993 -9.067 1.00 0.34 H new ATOM 0 HB2 ALA A 99 -12.019 9.259 -7.818 1.00 0.34 H new ATOM 0 HB3 ALA A 99 -10.453 8.548 -8.277 1.00 0.34 H new ATOM 1532 N THR A 100 -9.731 5.882 -7.260 1.00 0.15 N ATOM 1533 CA THR A 100 -9.008 4.648 -7.673 1.00 0.08 C ATOM 1534 C THR A 100 -9.605 3.437 -6.959 1.00 0.09 C ATOM 1535 O THR A 100 -9.815 2.402 -7.559 1.00 0.09 O ATOM 1536 CB THR A 100 -7.526 4.783 -7.318 1.00 0.09 C ATOM 1537 OG1 THR A 100 -7.149 6.063 -7.816 1.00 0.10 O ATOM 1538 CG2 THR A 100 -6.675 3.783 -8.094 1.00 0.07 C ATOM 0 H THR A 100 -9.164 6.592 -6.796 1.00 0.15 H new ATOM 0 HA THR A 100 -9.110 4.511 -8.750 1.00 0.08 H new ATOM 0 HB THR A 100 -7.383 4.631 -6.248 1.00 0.09 H new ATOM 0 HG1 THR A 100 -7.591 6.762 -7.290 1.00 0.10 H new ATOM 0 HG21 THR A 100 -5.628 3.906 -7.818 1.00 0.07 H new ATOM 0 HG22 THR A 100 -6.997 2.769 -7.856 1.00 0.07 H new ATOM 0 HG23 THR A 100 -6.792 3.959 -9.163 1.00 0.07 H new ATOM 1546 N ILE A 101 -9.866 3.587 -5.689 1.00 0.16 N ATOM 1547 CA ILE A 101 -10.468 2.452 -4.940 1.00 0.17 C ATOM 1548 C ILE A 101 -11.806 2.107 -5.566 1.00 0.20 C ATOM 1549 O ILE A 101 -12.101 0.958 -5.829 1.00 0.29 O ATOM 1550 CB ILE A 101 -10.665 2.855 -3.476 1.00 0.25 C ATOM 1551 CG1 ILE A 101 -9.375 2.547 -2.700 1.00 0.28 C ATOM 1552 CG2 ILE A 101 -11.826 2.049 -2.875 1.00 0.34 C ATOM 1553 CD1 ILE A 101 -9.450 3.154 -1.289 1.00 0.99 C ATOM 0 H ILE A 101 -9.691 4.433 -5.146 1.00 0.16 H new ATOM 0 HA ILE A 101 -9.810 1.584 -4.983 1.00 0.17 H new ATOM 0 HB ILE A 101 -10.893 3.919 -3.412 1.00 0.25 H new ATOM 0 HG12 ILE A 101 -9.230 1.469 -2.633 1.00 0.28 H new ATOM 0 HG13 ILE A 101 -8.515 2.952 -3.233 1.00 0.28 H new ATOM 0 HG21 ILE A 101 -11.967 2.335 -1.833 1.00 0.34 H new ATOM 0 HG22 ILE A 101 -12.739 2.254 -3.434 1.00 0.34 H new ATOM 0 HG23 ILE A 101 -11.597 0.985 -2.931 1.00 0.34 H new ATOM 0 HD11 ILE A 101 -8.531 2.930 -0.747 1.00 0.99 H new ATOM 0 HD12 ILE A 101 -9.573 4.234 -1.364 1.00 0.99 H new ATOM 0 HD13 ILE A 101 -10.299 2.728 -0.754 1.00 0.99 H new ATOM 1565 N ASN A 102 -12.587 3.114 -5.795 1.00 0.24 N ATOM 1566 CA ASN A 102 -13.909 2.874 -6.418 1.00 0.28 C ATOM 1567 C ASN A 102 -13.707 2.201 -7.775 1.00 0.21 C ATOM 1568 O ASN A 102 -14.639 1.693 -8.366 1.00 0.25 O ATOM 1569 CB ASN A 102 -14.628 4.211 -6.604 1.00 0.36 C ATOM 1570 CG ASN A 102 -15.359 4.211 -7.946 1.00 1.31 C ATOM 1571 OD1 ASN A 102 -16.566 4.086 -8.010 1.00 1.34 O ATOM 1572 ND2 ASN A 102 -14.667 4.349 -9.042 1.00 2.76 N ATOM 0 H ASN A 102 -12.371 4.087 -5.580 1.00 0.24 H new ATOM 0 HA ASN A 102 -14.511 2.228 -5.779 1.00 0.28 H new ATOM 0 HB2 ASN A 102 -15.336 4.372 -5.791 1.00 0.36 H new ATOM 0 HB3 ASN A 102 -13.910 5.031 -6.568 1.00 0.36 H new ATOM 0 HD21 ASN A 102 -15.139 4.352 -9.946 1.00 2.76 H new ATOM 0 HD22 ASN A 102 -13.654 4.454 -8.995 1.00 2.76 H new ATOM 1579 N GLU A 103 -12.483 2.213 -8.238 1.00 0.13 N ATOM 1580 CA GLU A 103 -12.196 1.580 -9.554 1.00 0.11 C ATOM 1581 C GLU A 103 -12.171 0.050 -9.429 1.00 0.18 C ATOM 1582 O GLU A 103 -12.757 -0.644 -10.237 1.00 0.26 O ATOM 1583 CB GLU A 103 -10.840 2.071 -10.055 1.00 0.12 C ATOM 1584 CG GLU A 103 -10.839 2.060 -11.585 1.00 0.21 C ATOM 1585 CD GLU A 103 -11.643 3.255 -12.101 1.00 1.38 C ATOM 1586 OE1 GLU A 103 -11.396 4.335 -11.590 1.00 1.94 O ATOM 1587 OE2 GLU A 103 -12.459 3.021 -12.977 1.00 2.32 O ATOM 0 H GLU A 103 -11.680 2.629 -7.766 1.00 0.13 H new ATOM 0 HA GLU A 103 -12.981 1.856 -10.258 1.00 0.11 H new ATOM 0 HB2 GLU A 103 -10.645 3.078 -9.686 1.00 0.12 H new ATOM 0 HB3 GLU A 103 -10.044 1.432 -9.674 1.00 0.12 H new ATOM 0 HG2 GLU A 103 -9.816 2.106 -11.960 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.272 1.130 -11.953 1.00 0.21 H new ATOM 1594 N LEU A 104 -11.495 -0.446 -8.418 1.00 0.17 N ATOM 1595 CA LEU A 104 -11.418 -1.934 -8.246 1.00 0.26 C ATOM 1596 C LEU A 104 -12.389 -2.418 -7.156 1.00 0.31 C ATOM 1597 O LEU A 104 -12.463 -3.599 -6.878 1.00 0.38 O ATOM 1598 CB LEU A 104 -9.989 -2.328 -7.856 1.00 0.23 C ATOM 1599 CG LEU A 104 -8.983 -1.634 -8.782 1.00 0.24 C ATOM 1600 CD1 LEU A 104 -7.593 -2.219 -8.526 1.00 0.25 C ATOM 1601 CD2 LEU A 104 -9.370 -1.881 -10.245 1.00 0.29 C ATOM 0 H LEU A 104 -11.001 0.104 -7.715 1.00 0.17 H new ATOM 0 HA LEU A 104 -11.696 -2.402 -9.190 1.00 0.26 H new ATOM 0 HB2 LEU A 104 -9.796 -2.048 -6.820 1.00 0.23 H new ATOM 0 HB3 LEU A 104 -9.870 -3.410 -7.922 1.00 0.23 H new ATOM 0 HG LEU A 104 -8.983 -0.562 -8.585 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -6.868 -1.733 -9.179 1.00 0.25 H new ATOM 0 HD12 LEU A 104 -7.314 -2.052 -7.486 1.00 0.25 H new ATOM 0 HD13 LEU A 104 -7.605 -3.290 -8.731 1.00 0.25 H new ATOM 0 HD21 LEU A 104 -8.653 -1.386 -10.900 1.00 0.29 H new ATOM 0 HD22 LEU A 104 -9.366 -2.952 -10.446 1.00 0.29 H new ATOM 0 HD23 LEU A 104 -10.367 -1.480 -10.430 1.00 0.29 H new ATOM 1613 N VAL A 105 -13.112 -1.508 -6.561 1.00 0.34 N ATOM 1614 CA VAL A 105 -14.072 -1.936 -5.498 1.00 0.45 C ATOM 1615 C VAL A 105 -15.117 -2.889 -6.089 1.00 0.54 C ATOM 1616 O VAL A 105 -15.612 -3.694 -5.318 1.00 0.82 O ATOM 1617 CB VAL A 105 -14.771 -0.707 -4.917 1.00 0.36 C ATOM 1618 CG1 VAL A 105 -15.964 -0.336 -5.802 1.00 0.28 C ATOM 1619 CG2 VAL A 105 -15.271 -1.036 -3.507 1.00 0.47 C ATOM 1620 OXT VAL A 105 -15.360 -2.756 -7.276 1.00 1.68 O ATOM 0 H VAL A 105 -13.084 -0.507 -6.757 1.00 0.34 H new ATOM 0 HA VAL A 105 -13.525 -2.452 -4.709 1.00 0.45 H new ATOM 0 HB VAL A 105 -14.073 0.129 -4.876 1.00 0.36 H new ATOM 0 HG11 VAL A 105 -16.464 0.540 -5.390 1.00 0.28 H new ATOM 0 HG12 VAL A 105 -15.614 -0.113 -6.810 1.00 0.28 H new ATOM 0 HG13 VAL A 105 -16.664 -1.171 -5.837 1.00 0.28 H new ATOM 0 HG21 VAL A 105 -15.771 -0.164 -3.086 1.00 0.47 H new ATOM 0 HG22 VAL A 105 -15.973 -1.869 -3.555 1.00 0.47 H new ATOM 0 HG23 VAL A 105 -14.426 -1.310 -2.876 1.00 0.47 H new TER 1630 VAL A 105