USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -111:sc= 0.139 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0.035) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 25 HIS : no HE2:sc=0.000152 X(o=0.00015,f=-0.06) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 41 MET CE :methyl 175:sc= 0 (180deg=-0.0243) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.2) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : B 25 HIS : no HD1:sc=-0.000738 X(o=-0.00074,f=-0.1) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.190 -18.337 -19.459 1.00 0.77 N ATOM 2 CA GLY A 1 130.959 -18.276 -18.622 1.00 0.81 C ATOM 3 C GLY A 1 130.806 -16.945 -17.911 1.00 0.65 C ATOM 4 O GLY A 1 130.664 -15.904 -18.557 1.00 0.70 O ATOM 0 H1 GLY A 1 132.248 -19.266 -19.923 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.156 -17.590 -20.182 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.026 -18.198 -18.857 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.086 -18.451 -19.251 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.985 -19.078 -17.884 1.00 0.81 H new ATOM 10 N SER A 2 130.837 -16.976 -16.578 1.00 0.55 N ATOM 11 CA SER A 2 130.702 -15.760 -15.775 1.00 0.48 C ATOM 12 C SER A 2 132.047 -15.069 -15.574 1.00 0.47 C ATOM 13 O SER A 2 132.084 -13.859 -15.354 1.00 0.71 O ATOM 14 CB SER A 2 130.067 -16.080 -14.419 1.00 0.54 C ATOM 15 OG SER A 2 128.654 -16.115 -14.513 1.00 0.67 O ATOM 0 H SER A 2 130.954 -17.829 -16.032 1.00 0.55 H new ATOM 0 HA SER A 2 130.051 -15.077 -16.321 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.435 -17.041 -14.060 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.367 -15.330 -13.687 1.00 0.54 H new ATOM 0 HG SER A 2 128.273 -16.323 -13.634 1.00 0.67 H new ATOM 21 N LEU A 3 133.147 -15.827 -15.670 1.00 0.38 N ATOM 22 CA LEU A 3 134.485 -15.250 -15.521 1.00 0.43 C ATOM 23 C LEU A 3 134.809 -14.410 -16.756 1.00 0.53 C ATOM 24 O LEU A 3 135.648 -14.777 -17.580 1.00 0.88 O ATOM 25 CB LEU A 3 135.554 -16.338 -15.303 1.00 0.48 C ATOM 26 CG LEU A 3 135.331 -17.663 -16.046 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.637 -18.179 -16.634 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.724 -18.700 -15.110 1.00 1.42 C ATOM 0 H LEU A 3 133.136 -16.831 -15.848 1.00 0.38 H new ATOM 0 HA LEU A 3 134.494 -14.615 -14.635 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.521 -15.934 -15.604 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.615 -16.549 -14.235 1.00 0.48 H new ATOM 0 HG LEU A 3 134.635 -17.483 -16.866 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.455 -19.119 -17.156 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.035 -17.446 -17.335 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.357 -18.343 -15.832 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.572 -19.634 -15.651 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.399 -18.872 -14.271 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.766 -18.337 -14.737 1.00 1.42 H new ATOM 40 N THR A 4 134.109 -13.281 -16.871 1.00 0.41 N ATOM 41 CA THR A 4 134.259 -12.358 -17.989 1.00 0.49 C ATOM 42 C THR A 4 133.842 -10.951 -17.547 1.00 0.39 C ATOM 43 O THR A 4 133.876 -10.644 -16.358 1.00 0.39 O ATOM 44 CB THR A 4 133.417 -12.834 -19.185 1.00 0.65 C ATOM 45 OG1 THR A 4 132.166 -13.345 -18.754 1.00 0.64 O ATOM 46 CG2 THR A 4 134.095 -13.911 -20.004 1.00 0.80 C ATOM 0 H THR A 4 133.417 -12.982 -16.184 1.00 0.41 H new ATOM 0 HA THR A 4 135.302 -12.330 -18.303 1.00 0.49 H new ATOM 0 HB THR A 4 133.286 -11.951 -19.811 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.139 -14.313 -18.904 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.447 -14.201 -20.831 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.037 -13.530 -20.397 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.290 -14.779 -19.374 1.00 0.80 H new ATOM 54 N TYR A 5 133.499 -10.088 -18.502 1.00 0.48 N ATOM 55 CA TYR A 5 133.116 -8.697 -18.223 1.00 0.46 C ATOM 56 C TYR A 5 132.276 -8.521 -16.953 1.00 0.42 C ATOM 57 O TYR A 5 132.530 -7.600 -16.175 1.00 0.47 O ATOM 58 CB TYR A 5 132.354 -8.122 -19.418 1.00 0.59 C ATOM 59 CG TYR A 5 132.017 -6.648 -19.290 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.961 -5.729 -18.847 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.751 -6.177 -19.616 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.655 -4.387 -18.731 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.436 -4.836 -19.504 1.00 0.90 C ATOM 64 CZ TYR A 5 131.391 -3.946 -19.061 1.00 0.65 C ATOM 65 OH TYR A 5 131.081 -2.610 -18.948 1.00 0.79 O ATOM 0 H TYR A 5 133.477 -10.330 -19.493 1.00 0.48 H new ATOM 0 HA TYR A 5 134.047 -8.157 -18.054 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.949 -8.270 -20.319 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.430 -8.684 -19.550 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.952 -6.071 -18.589 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.000 -6.871 -19.963 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.401 -3.688 -18.384 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.447 -4.487 -19.762 1.00 0.90 H new ATOM 0 HH TYR A 5 130.151 -2.466 -19.221 1.00 0.79 H new ATOM 75 N GLU A 6 131.270 -9.377 -16.743 1.00 0.48 N ATOM 76 CA GLU A 6 130.405 -9.264 -15.562 1.00 0.50 C ATOM 77 C GLU A 6 131.124 -9.667 -14.272 1.00 0.38 C ATOM 78 O GLU A 6 130.677 -9.321 -13.177 1.00 0.47 O ATOM 79 CB GLU A 6 129.152 -10.126 -15.745 1.00 0.60 C ATOM 80 CG GLU A 6 127.871 -9.434 -15.309 1.00 0.65 C ATOM 81 CD GLU A 6 126.636 -10.279 -15.562 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.060 -10.174 -16.666 1.00 1.16 O ATOM 83 OE2 GLU A 6 126.245 -11.044 -14.657 1.00 0.99 O ATOM 0 H GLU A 6 131.036 -10.148 -17.368 1.00 0.48 H new ATOM 0 HA GLU A 6 130.125 -8.215 -15.468 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.064 -10.408 -16.794 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.269 -11.048 -15.176 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.934 -9.198 -14.247 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.774 -8.488 -15.841 1.00 0.65 H new ATOM 90 N GLU A 7 132.236 -10.392 -14.403 1.00 0.30 N ATOM 91 CA GLU A 7 133.012 -10.828 -13.244 1.00 0.29 C ATOM 92 C GLU A 7 133.795 -9.660 -12.658 1.00 0.28 C ATOM 93 O GLU A 7 133.711 -9.389 -11.461 1.00 0.46 O ATOM 94 CB GLU A 7 133.968 -11.960 -13.631 1.00 0.40 C ATOM 95 CG GLU A 7 134.468 -12.775 -12.446 1.00 0.56 C ATOM 96 CD GLU A 7 135.525 -12.047 -11.632 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.641 -11.833 -12.154 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.236 -11.690 -10.470 1.00 0.81 O ATOM 0 H GLU A 7 132.618 -10.689 -15.301 1.00 0.30 H new ATOM 0 HA GLU A 7 132.319 -11.200 -12.489 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.463 -12.626 -14.331 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.824 -11.536 -14.156 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.626 -13.022 -11.800 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.880 -13.717 -12.807 1.00 0.56 H new ATOM 105 N VAL A 8 134.544 -8.961 -13.516 1.00 0.34 N ATOM 106 CA VAL A 8 135.334 -7.809 -13.091 1.00 0.36 C ATOM 107 C VAL A 8 134.434 -6.656 -12.646 1.00 0.28 C ATOM 108 O VAL A 8 134.790 -5.895 -11.744 1.00 0.39 O ATOM 109 CB VAL A 8 136.270 -7.326 -14.224 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.466 -6.797 -15.403 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.240 -6.270 -13.715 1.00 0.77 C ATOM 0 H VAL A 8 134.618 -9.176 -14.510 1.00 0.34 H new ATOM 0 HA VAL A 8 135.941 -8.130 -12.244 1.00 0.36 H new ATOM 0 HB VAL A 8 136.852 -8.182 -14.567 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.146 -6.463 -16.187 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.826 -7.589 -15.791 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.850 -5.959 -15.077 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.887 -5.947 -14.531 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.681 -5.415 -13.335 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.848 -6.690 -12.914 1.00 0.77 H new ATOM 121 N LEU A 9 133.266 -6.535 -13.286 1.00 0.36 N ATOM 122 CA LEU A 9 132.310 -5.481 -12.960 1.00 0.49 C ATOM 123 C LEU A 9 132.014 -5.467 -11.456 1.00 0.53 C ATOM 124 O LEU A 9 132.209 -4.447 -10.792 1.00 0.73 O ATOM 125 CB LEU A 9 131.016 -5.670 -13.767 1.00 0.66 C ATOM 126 CG LEU A 9 130.531 -4.435 -14.538 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.249 -4.747 -15.298 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.311 -3.264 -13.592 1.00 0.72 C ATOM 0 H LEU A 9 132.963 -7.158 -14.035 1.00 0.36 H new ATOM 0 HA LEU A 9 132.748 -4.519 -13.228 1.00 0.49 H new ATOM 0 HB2 LEU A 9 131.167 -6.483 -14.477 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.226 -5.984 -13.085 1.00 0.66 H new ATOM 0 HG LEU A 9 131.302 -4.159 -15.257 1.00 0.65 H new ATOM 0 HD11 LEU A 9 128.921 -3.859 -15.838 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.433 -5.555 -16.006 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.474 -5.051 -14.595 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.967 -2.398 -14.158 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.560 -3.533 -12.849 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.248 -3.021 -13.090 1.00 0.72 H new ATOM 140 N GLN A 10 131.541 -6.601 -10.923 1.00 0.42 N ATOM 141 CA GLN A 10 131.215 -6.718 -9.495 1.00 0.49 C ATOM 142 C GLN A 10 132.444 -6.540 -8.595 1.00 0.43 C ATOM 143 O GLN A 10 132.304 -6.241 -7.407 1.00 0.50 O ATOM 144 CB GLN A 10 130.556 -8.074 -9.219 1.00 0.60 C ATOM 145 CG GLN A 10 129.160 -8.198 -9.810 1.00 0.69 C ATOM 146 CD GLN A 10 128.119 -8.606 -8.783 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.722 -7.807 -7.934 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.669 -9.854 -8.856 1.00 0.84 N ATOM 0 H GLN A 10 131.375 -7.452 -11.460 1.00 0.42 H new ATOM 0 HA GLN A 10 130.521 -5.912 -9.255 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.186 -8.865 -9.625 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.502 -8.231 -8.142 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.872 -7.245 -10.253 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.176 -8.932 -10.616 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.025 -10.483 -9.575 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.967 -10.183 -8.193 1.00 0.84 H new ATOM 157 N GLU A 11 133.645 -6.716 -9.157 1.00 0.41 N ATOM 158 CA GLU A 11 134.878 -6.561 -8.382 1.00 0.44 C ATOM 159 C GLU A 11 135.031 -5.116 -7.903 1.00 0.40 C ATOM 160 O GLU A 11 135.242 -4.868 -6.714 1.00 0.56 O ATOM 161 CB GLU A 11 136.102 -6.977 -9.210 1.00 0.52 C ATOM 162 CG GLU A 11 136.046 -8.417 -9.702 1.00 0.63 C ATOM 163 CD GLU A 11 137.394 -8.947 -10.162 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.024 -8.309 -11.033 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.818 -10.007 -9.654 1.00 1.64 O ATOM 0 H GLU A 11 133.788 -6.963 -10.136 1.00 0.41 H new ATOM 0 HA GLU A 11 134.814 -7.215 -7.512 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.192 -6.312 -10.069 1.00 0.52 H new ATOM 0 HB3 GLU A 11 137.000 -6.843 -8.607 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.667 -9.053 -8.902 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.336 -8.485 -10.526 1.00 0.63 H new ATOM 172 N LEU A 12 134.934 -4.167 -8.839 1.00 0.34 N ATOM 173 CA LEU A 12 135.070 -2.740 -8.530 1.00 0.34 C ATOM 174 C LEU A 12 134.062 -2.273 -7.472 1.00 0.31 C ATOM 175 O LEU A 12 134.397 -1.447 -6.621 1.00 0.39 O ATOM 176 CB LEU A 12 134.896 -1.914 -9.815 1.00 0.36 C ATOM 177 CG LEU A 12 135.822 -0.698 -9.965 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.366 0.443 -9.068 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.269 -1.072 -9.668 1.00 0.59 C ATOM 0 H LEU A 12 134.760 -4.364 -9.825 1.00 0.34 H new ATOM 0 HA LEU A 12 136.067 -2.588 -8.118 1.00 0.34 H new ATOM 0 HB2 LEU A 12 135.052 -2.572 -10.670 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.864 -1.568 -9.863 1.00 0.36 H new ATOM 0 HG LEU A 12 135.767 -0.361 -11.000 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.037 1.293 -9.191 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.353 0.738 -9.341 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.381 0.117 -8.028 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.903 -0.193 -9.782 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.346 -1.445 -8.647 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.595 -1.846 -10.363 1.00 0.59 H new ATOM 191 N VAL A 13 132.834 -2.806 -7.513 1.00 0.26 N ATOM 192 CA VAL A 13 131.808 -2.430 -6.540 1.00 0.26 C ATOM 193 C VAL A 13 132.111 -3.014 -5.155 1.00 0.22 C ATOM 194 O VAL A 13 131.596 -2.532 -4.145 1.00 0.24 O ATOM 195 CB VAL A 13 130.394 -2.866 -7.004 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.988 -4.206 -6.400 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.371 -1.793 -6.663 1.00 0.53 C ATOM 0 H VAL A 13 132.531 -3.493 -8.204 1.00 0.26 H new ATOM 0 HA VAL A 13 131.823 -1.342 -6.468 1.00 0.26 H new ATOM 0 HB VAL A 13 130.426 -2.993 -8.086 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.991 -4.476 -6.750 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.700 -4.973 -6.705 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.982 -4.128 -5.313 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.383 -2.113 -6.995 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.357 -1.633 -5.585 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.638 -0.863 -7.165 1.00 0.53 H new ATOM 207 N LYS A 14 132.961 -4.044 -5.118 1.00 0.24 N ATOM 208 CA LYS A 14 133.349 -4.680 -3.866 1.00 0.23 C ATOM 209 C LYS A 14 134.477 -3.886 -3.215 1.00 0.21 C ATOM 210 O LYS A 14 134.419 -3.566 -2.028 1.00 0.28 O ATOM 211 CB LYS A 14 133.780 -6.129 -4.117 1.00 0.30 C ATOM 212 CG LYS A 14 133.506 -7.056 -2.944 1.00 0.84 C ATOM 213 CD LYS A 14 133.647 -8.517 -3.338 1.00 0.68 C ATOM 214 CE LYS A 14 133.197 -9.440 -2.215 1.00 0.73 C ATOM 215 NZ LYS A 14 132.951 -10.829 -2.695 1.00 0.75 N ATOM 0 H LYS A 14 133.392 -4.453 -5.947 1.00 0.24 H new ATOM 0 HA LYS A 14 132.494 -4.693 -3.190 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.260 -6.507 -4.997 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.846 -6.148 -4.344 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.197 -6.830 -2.132 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.500 -6.877 -2.566 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.055 -8.713 -4.232 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.686 -8.729 -3.591 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.957 -9.456 -1.434 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.286 -9.046 -1.766 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.647 -11.423 -1.898 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.208 -10.818 -3.422 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.827 -11.216 -3.101 1.00 0.75 H new ATOM 229 N HIS A 15 135.496 -3.557 -4.014 1.00 0.25 N ATOM 230 CA HIS A 15 136.636 -2.777 -3.534 1.00 0.27 C ATOM 231 C HIS A 15 136.183 -1.378 -3.104 1.00 0.23 C ATOM 232 O HIS A 15 136.720 -0.811 -2.151 1.00 0.43 O ATOM 233 CB HIS A 15 137.713 -2.666 -4.622 1.00 0.33 C ATOM 234 CG HIS A 15 138.516 -3.918 -4.812 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.816 -4.053 -4.373 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.201 -5.090 -5.411 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.266 -5.252 -4.697 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.305 -5.902 -5.327 1.00 0.72 N ATOM 0 H HIS A 15 135.553 -3.820 -4.998 1.00 0.25 H new ATOM 0 HA HIS A 15 137.061 -3.292 -2.673 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.236 -2.405 -5.567 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.388 -1.848 -4.369 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.256 -5.340 -5.870 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.253 -5.635 -4.483 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.372 -6.852 -5.692 1.00 0.72 H new ATOM 247 N LYS A 16 135.193 -0.826 -3.819 1.00 0.21 N ATOM 248 CA LYS A 16 134.664 0.506 -3.518 1.00 0.25 C ATOM 249 C LYS A 16 133.949 0.532 -2.167 1.00 0.32 C ATOM 250 O LYS A 16 134.244 1.383 -1.325 1.00 0.62 O ATOM 251 CB LYS A 16 133.706 0.969 -4.623 1.00 0.37 C ATOM 252 CG LYS A 16 134.402 1.647 -5.794 1.00 0.50 C ATOM 253 CD LYS A 16 133.401 2.230 -6.784 1.00 0.57 C ATOM 254 CE LYS A 16 132.979 3.642 -6.399 1.00 0.59 C ATOM 255 NZ LYS A 16 131.505 3.756 -6.214 1.00 0.66 N ATOM 0 H LYS A 16 134.743 -1.285 -4.611 1.00 0.21 H new ATOM 0 HA LYS A 16 135.511 1.190 -3.469 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.149 0.108 -4.992 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.979 1.659 -4.195 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.050 2.440 -5.422 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.041 0.926 -6.304 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.841 2.242 -7.781 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.521 1.588 -6.831 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.483 3.932 -5.477 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.302 4.340 -7.172 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.262 4.733 -5.953 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.023 3.505 -7.101 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.199 3.110 -5.459 1.00 0.66 H new ATOM 269 N GLU A 17 133.011 -0.400 -1.960 1.00 0.32 N ATOM 270 CA GLU A 17 132.265 -0.470 -0.703 1.00 0.39 C ATOM 271 C GLU A 17 133.178 -0.864 0.459 1.00 0.32 C ATOM 272 O GLU A 17 132.999 -0.387 1.582 1.00 0.40 O ATOM 273 CB GLU A 17 131.092 -1.455 -0.829 1.00 0.51 C ATOM 274 CG GLU A 17 131.471 -2.916 -0.603 1.00 0.80 C ATOM 275 CD GLU A 17 130.606 -3.896 -1.384 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.534 -3.492 -1.887 1.00 1.43 O ATOM 277 OE2 GLU A 17 131.004 -5.075 -1.490 1.00 1.47 O ATOM 0 H GLU A 17 132.753 -1.111 -2.644 1.00 0.32 H new ATOM 0 HA GLU A 17 131.865 0.522 -0.492 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.321 -1.177 -0.111 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.654 -1.355 -1.822 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.514 -3.060 -0.885 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.394 -3.143 0.460 1.00 0.80 H new ATOM 284 N LEU A 18 134.161 -1.726 0.182 1.00 0.32 N ATOM 285 CA LEU A 18 135.108 -2.169 1.204 1.00 0.34 C ATOM 286 C LEU A 18 135.861 -0.975 1.783 1.00 0.33 C ATOM 287 O LEU A 18 136.042 -0.873 2.997 1.00 0.66 O ATOM 288 CB LEU A 18 136.098 -3.181 0.618 1.00 0.53 C ATOM 289 CG LEU A 18 135.694 -4.649 0.779 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.558 -5.547 -0.096 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.792 -5.067 2.240 1.00 0.79 C ATOM 0 H LEU A 18 134.320 -2.129 -0.741 1.00 0.32 H new ATOM 0 HA LEU A 18 134.548 -2.653 2.004 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.225 -2.969 -0.444 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.069 -3.033 1.091 1.00 0.53 H new ATOM 0 HG LEU A 18 134.659 -4.758 0.456 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.253 -6.585 0.035 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.437 -5.262 -1.141 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.604 -5.437 0.191 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.502 -6.113 2.339 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.818 -4.940 2.587 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.127 -4.447 2.841 1.00 0.79 H new ATOM 303 N LEU A 19 136.283 -0.064 0.903 1.00 0.43 N ATOM 304 CA LEU A 19 137.000 1.138 1.319 1.00 0.44 C ATOM 305 C LEU A 19 136.094 2.055 2.142 1.00 0.30 C ATOM 306 O LEU A 19 136.565 2.761 3.036 1.00 0.45 O ATOM 307 CB LEU A 19 137.535 1.894 0.097 1.00 0.57 C ATOM 308 CG LEU A 19 139.018 1.670 -0.210 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.268 1.729 -1.711 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.874 2.698 0.518 1.00 0.94 C ATOM 0 H LEU A 19 136.139 -0.139 -0.104 1.00 0.43 H new ATOM 0 HA LEU A 19 137.840 0.830 1.941 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.951 1.601 -0.776 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.369 2.961 0.248 1.00 0.57 H new ATOM 0 HG LEU A 19 139.298 0.678 0.144 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.327 1.568 -1.910 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.683 0.955 -2.208 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.972 2.707 -2.091 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.925 2.524 0.289 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.593 3.700 0.194 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.717 2.606 1.593 1.00 0.94 H new ATOM 322 N ARG A 20 134.791 2.041 1.831 1.00 0.32 N ATOM 323 CA ARG A 20 133.822 2.874 2.541 1.00 0.50 C ATOM 324 C ARG A 20 133.783 2.514 4.028 1.00 0.40 C ATOM 325 O ARG A 20 134.070 3.362 4.875 1.00 0.47 O ATOM 326 CB ARG A 20 132.427 2.728 1.915 1.00 0.78 C ATOM 327 CG ARG A 20 131.671 4.045 1.791 1.00 0.89 C ATOM 328 CD ARG A 20 130.907 4.139 0.475 1.00 0.98 C ATOM 329 NE ARG A 20 131.250 5.352 -0.275 1.00 1.06 N ATOM 330 CZ ARG A 20 130.394 6.028 -1.051 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.134 5.618 -1.196 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.802 7.123 -1.687 1.00 1.60 N ATOM 0 H ARG A 20 134.388 1.462 1.094 1.00 0.32 H new ATOM 0 HA ARG A 20 134.135 3.914 2.450 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.527 2.282 0.925 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.838 2.037 2.518 1.00 0.78 H new ATOM 0 HG2 ARG A 20 130.974 4.144 2.623 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.373 4.875 1.863 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.126 3.262 -0.134 1.00 0.98 H new ATOM 0 HD3 ARG A 20 129.836 4.128 0.676 1.00 0.98 H new ATOM 0 HE ARG A 20 132.204 5.704 -0.200 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.812 4.780 -0.713 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.492 6.143 -1.790 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.764 7.445 -1.582 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.153 7.641 -2.279 1.00 1.60 H new ATOM 346 N ARG A 21 133.430 1.260 4.347 1.00 0.36 N ATOM 347 CA ARG A 21 133.360 0.804 5.740 1.00 0.37 C ATOM 348 C ARG A 21 134.670 1.068 6.480 1.00 0.35 C ATOM 349 O ARG A 21 134.658 1.457 7.646 1.00 0.49 O ATOM 350 CB ARG A 21 133.025 -0.691 5.800 1.00 0.47 C ATOM 351 CG ARG A 21 131.724 -0.999 6.528 1.00 0.71 C ATOM 352 CD ARG A 21 131.445 -2.495 6.569 1.00 0.94 C ATOM 353 NE ARG A 21 131.895 -3.110 7.821 1.00 0.95 N ATOM 354 CZ ARG A 21 131.339 -4.199 8.365 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.317 -4.808 7.768 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.810 -4.686 9.508 1.00 1.50 N ATOM 0 H ARG A 21 133.189 0.546 3.659 1.00 0.36 H new ATOM 0 HA ARG A 21 132.568 1.370 6.231 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.964 -1.081 4.784 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.841 -1.217 6.295 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.775 -0.610 7.545 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.899 -0.488 6.032 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.376 -2.667 6.446 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.944 -2.979 5.729 1.00 0.94 H new ATOM 0 HE ARG A 21 132.682 -2.681 8.308 1.00 0.95 H new ATOM 0 HH11 ARG A 21 129.951 -4.445 6.888 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.900 -5.637 8.191 1.00 2.03 H new ATOM 0 HH21 ARG A 21 132.596 -4.230 9.971 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.386 -5.516 9.922 1.00 1.50 H new ATOM 370 N LYS A 22 135.799 0.864 5.794 1.00 0.33 N ATOM 371 CA LYS A 22 137.119 1.095 6.390 1.00 0.41 C ATOM 372 C LYS A 22 137.201 2.496 7.022 1.00 0.34 C ATOM 373 O LYS A 22 137.967 2.717 7.961 1.00 0.36 O ATOM 374 CB LYS A 22 138.213 0.919 5.330 1.00 0.56 C ATOM 375 CG LYS A 22 139.166 -0.235 5.615 1.00 0.77 C ATOM 376 CD LYS A 22 140.487 -0.068 4.878 1.00 0.95 C ATOM 377 CE LYS A 22 141.371 0.976 5.546 1.00 0.76 C ATOM 378 NZ LYS A 22 142.538 0.361 6.242 1.00 0.71 N ATOM 0 H LYS A 22 135.826 0.540 4.827 1.00 0.33 H new ATOM 0 HA LYS A 22 137.272 0.361 7.181 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.743 0.759 4.360 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.787 1.843 5.257 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.353 -0.297 6.687 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.700 -1.174 5.318 1.00 0.77 H new ATOM 0 HD2 LYS A 22 141.011 -1.023 4.847 1.00 0.95 H new ATOM 0 HD3 LYS A 22 140.294 0.224 3.846 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.728 1.682 4.796 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.780 1.545 6.264 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.112 1.108 6.682 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.199 -0.293 6.976 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 143.117 -0.161 5.554 1.00 0.71 H new ATOM 392 N ASP A 23 136.351 3.410 6.539 1.00 0.34 N ATOM 393 CA ASP A 23 136.258 4.758 7.089 1.00 0.32 C ATOM 394 C ASP A 23 135.169 4.787 8.164 1.00 0.29 C ATOM 395 O ASP A 23 135.426 5.079 9.330 1.00 0.34 O ATOM 396 CB ASP A 23 135.937 5.766 5.981 1.00 0.37 C ATOM 397 CG ASP A 23 136.747 7.039 6.106 1.00 0.78 C ATOM 398 OD1 ASP A 23 136.349 7.919 6.897 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.781 7.154 5.417 1.00 1.17 O ATOM 0 H ASP A 23 135.715 3.233 5.762 1.00 0.34 H new ATOM 0 HA ASP A 23 137.215 5.034 7.533 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.131 5.309 5.011 1.00 0.37 H new ATOM 0 HB3 ASP A 23 134.875 6.010 6.012 1.00 0.37 H new ATOM 404 N THR A 24 133.943 4.486 7.723 1.00 0.27 N ATOM 405 CA THR A 24 132.755 4.467 8.584 1.00 0.28 C ATOM 406 C THR A 24 133.007 3.726 9.902 1.00 0.27 C ATOM 407 O THR A 24 132.590 4.190 10.963 1.00 0.32 O ATOM 408 CB THR A 24 131.579 3.822 7.840 1.00 0.31 C ATOM 409 OG1 THR A 24 131.458 4.359 6.534 1.00 0.52 O ATOM 410 CG2 THR A 24 130.247 4.007 8.536 1.00 0.53 C ATOM 0 H THR A 24 133.745 4.247 6.751 1.00 0.27 H new ATOM 0 HA THR A 24 132.514 5.501 8.830 1.00 0.28 H new ATOM 0 HB THR A 24 131.808 2.757 7.813 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.704 3.934 6.074 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.462 3.525 7.953 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.290 3.558 9.528 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.029 5.071 8.628 1.00 0.53 H new ATOM 418 N HIS A 25 133.671 2.570 9.827 1.00 0.27 N ATOM 419 CA HIS A 25 133.961 1.761 11.014 1.00 0.31 C ATOM 420 C HIS A 25 134.938 2.465 11.952 1.00 0.33 C ATOM 421 O HIS A 25 134.707 2.526 13.159 1.00 0.43 O ATOM 422 CB HIS A 25 134.521 0.395 10.602 1.00 0.37 C ATOM 423 CG HIS A 25 134.057 -0.734 11.469 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.864 -0.612 12.829 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.748 -2.017 11.161 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.458 -1.768 13.320 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.380 -2.637 12.329 1.00 0.75 N ATOM 0 H HIS A 25 134.019 2.172 8.955 1.00 0.27 H new ATOM 0 HA HIS A 25 133.024 1.619 11.553 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.233 0.191 9.571 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.610 0.436 10.627 1.00 0.37 H new ATOM 0 HD1 HIS A 25 134.012 0.239 13.371 1.00 0.92 H new ATOM 0 HD2 HIS A 25 133.784 -2.467 10.180 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.229 -1.969 14.356 1.00 0.79 H new ATOM 436 N ILE A 26 136.021 3.012 11.400 1.00 0.31 N ATOM 437 CA ILE A 26 136.999 3.728 12.220 1.00 0.35 C ATOM 438 C ILE A 26 136.401 5.040 12.743 1.00 0.34 C ATOM 439 O ILE A 26 136.920 5.635 13.689 1.00 0.46 O ATOM 440 CB ILE A 26 138.309 4.021 11.452 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.054 4.976 10.283 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.937 2.724 10.961 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.300 5.676 9.787 1.00 0.68 C ATOM 0 H ILE A 26 136.242 2.975 10.405 1.00 0.31 H new ATOM 0 HA ILE A 26 137.246 3.077 13.059 1.00 0.35 H new ATOM 0 HB ILE A 26 139.006 4.505 12.136 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.609 4.417 9.459 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.325 5.726 10.590 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.858 2.947 10.422 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.161 2.083 11.813 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.242 2.213 10.295 1.00 0.56 H new ATOM 0 HD11 ILE A 26 139.041 6.336 8.959 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.734 6.263 10.596 1.00 0.68 H new ATOM 0 HD13 ILE A 26 140.023 4.934 9.448 1.00 0.68 H new ATOM 455 N ARG A 27 135.292 5.468 12.127 1.00 0.29 N ATOM 456 CA ARG A 27 134.596 6.684 12.523 1.00 0.35 C ATOM 457 C ARG A 27 133.597 6.390 13.643 1.00 0.34 C ATOM 458 O ARG A 27 133.525 7.132 14.625 1.00 0.39 O ATOM 459 CB ARG A 27 133.877 7.296 11.317 1.00 0.44 C ATOM 460 CG ARG A 27 133.153 8.596 11.629 1.00 0.52 C ATOM 461 CD ARG A 27 131.748 8.610 11.044 1.00 0.81 C ATOM 462 NE ARG A 27 130.933 9.686 11.609 1.00 0.91 N ATOM 463 CZ ARG A 27 129.639 9.868 11.337 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.000 9.052 10.502 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.980 10.874 11.904 1.00 1.68 N ATOM 0 H ARG A 27 134.859 4.979 11.344 1.00 0.29 H new ATOM 0 HA ARG A 27 135.330 7.399 12.895 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.604 7.477 10.526 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.158 6.574 10.930 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.099 8.733 12.709 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.722 9.435 11.229 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.806 8.728 9.962 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.266 7.651 11.234 1.00 0.81 H new ATOM 0 HE ARG A 27 131.382 10.338 12.252 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.499 8.278 10.063 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.011 9.200 10.301 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.463 11.504 12.545 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.991 11.016 11.698 1.00 1.68 H new ATOM 479 N GLU A 28 132.833 5.296 13.500 1.00 0.33 N ATOM 480 CA GLU A 28 131.854 4.915 14.520 1.00 0.38 C ATOM 481 C GLU A 28 132.568 4.516 15.811 1.00 0.37 C ATOM 482 O GLU A 28 132.209 4.983 16.893 1.00 0.47 O ATOM 483 CB GLU A 28 130.927 3.789 14.026 1.00 0.48 C ATOM 484 CG GLU A 28 131.643 2.531 13.553 1.00 0.81 C ATOM 485 CD GLU A 28 131.520 1.377 14.532 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.394 0.865 14.710 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.549 0.984 15.119 1.00 1.85 O ATOM 0 H GLU A 28 132.876 4.669 12.697 1.00 0.33 H new ATOM 0 HA GLU A 28 131.223 5.780 14.724 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.245 3.520 14.832 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.318 4.172 13.207 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.235 2.228 12.589 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.698 2.757 13.396 1.00 0.81 H new ATOM 494 N LEU A 29 133.593 3.664 15.687 1.00 0.34 N ATOM 495 CA LEU A 29 134.376 3.221 16.842 1.00 0.38 C ATOM 496 C LEU A 29 135.127 4.397 17.477 1.00 0.42 C ATOM 497 O LEU A 29 135.535 4.325 18.637 1.00 0.80 O ATOM 498 CB LEU A 29 135.369 2.130 16.429 1.00 0.48 C ATOM 499 CG LEU A 29 135.421 0.913 17.357 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.188 -0.370 16.571 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.754 0.858 18.093 1.00 0.58 C ATOM 0 H LEU A 29 133.898 3.269 14.797 1.00 0.34 H new ATOM 0 HA LEU A 29 133.686 2.812 17.579 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.115 1.791 15.425 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.365 2.569 16.375 1.00 0.48 H new ATOM 0 HG LEU A 29 134.626 1.010 18.096 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.229 -1.224 17.248 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.209 -0.332 16.094 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.960 -0.475 15.808 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.772 -0.013 18.748 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.566 0.786 17.370 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.878 1.762 18.689 1.00 0.58 H new ATOM 513 N GLU A 30 135.285 5.487 16.715 1.00 0.42 N ATOM 514 CA GLU A 30 135.961 6.682 17.213 1.00 0.46 C ATOM 515 C GLU A 30 135.108 7.365 18.286 1.00 0.46 C ATOM 516 O GLU A 30 135.640 7.977 19.214 1.00 0.61 O ATOM 517 CB GLU A 30 136.256 7.654 16.064 1.00 0.51 C ATOM 518 CG GLU A 30 137.739 7.941 15.879 1.00 0.57 C ATOM 519 CD GLU A 30 138.266 8.954 16.879 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.486 8.574 18.050 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.458 10.126 16.493 1.00 1.24 O ATOM 0 H GLU A 30 134.953 5.562 15.753 1.00 0.42 H new ATOM 0 HA GLU A 30 136.909 6.382 17.659 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.855 7.242 15.138 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.732 8.592 16.248 1.00 0.51 H new ATOM 0 HG2 GLU A 30 138.300 7.012 15.978 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.911 8.311 14.868 1.00 0.57 H new ATOM 528 N ASP A 31 133.782 7.231 18.161 1.00 0.43 N ATOM 529 CA ASP A 31 132.847 7.807 19.126 1.00 0.58 C ATOM 530 C ASP A 31 132.649 6.861 20.312 1.00 0.59 C ATOM 531 O ASP A 31 132.403 7.307 21.435 1.00 0.78 O ATOM 532 CB ASP A 31 131.498 8.098 18.463 1.00 0.71 C ATOM 533 CG ASP A 31 131.258 9.584 18.271 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.724 10.224 19.202 1.00 1.65 O ATOM 535 OD2 ASP A 31 131.606 10.107 17.193 1.00 1.73 O ATOM 0 H ASP A 31 133.334 6.726 17.396 1.00 0.43 H new ATOM 0 HA ASP A 31 133.270 8.744 19.488 1.00 0.58 H new ATOM 0 HB2 ASP A 31 131.456 7.598 17.496 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.698 7.679 19.073 1.00 0.71 H new ATOM 540 N TYR A 32 132.769 5.552 20.055 1.00 0.51 N ATOM 541 CA TYR A 32 132.620 4.543 21.102 1.00 0.56 C ATOM 542 C TYR A 32 133.718 4.706 22.149 1.00 0.55 C ATOM 543 O TYR A 32 133.451 4.682 23.351 1.00 0.64 O ATOM 544 CB TYR A 32 132.667 3.132 20.506 1.00 0.61 C ATOM 545 CG TYR A 32 131.384 2.350 20.695 1.00 0.70 C ATOM 546 CD1 TYR A 32 131.061 1.793 21.927 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.497 2.167 19.641 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.892 1.078 22.103 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.326 1.453 19.809 1.00 1.19 C ATOM 550 CZ TYR A 32 129.028 0.911 21.041 1.00 1.23 C ATOM 551 OH TYR A 32 127.864 0.198 21.212 1.00 1.55 O ATOM 0 H TYR A 32 132.969 5.171 19.130 1.00 0.51 H new ATOM 0 HA TYR A 32 131.650 4.684 21.579 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.885 3.204 19.440 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.489 2.581 20.963 1.00 0.61 H new ATOM 0 HD1 TYR A 32 131.735 1.921 22.761 1.00 1.15 H new ATOM 0 HD2 TYR A 32 130.727 2.590 18.674 1.00 0.98 H new ATOM 0 HE1 TYR A 32 129.656 0.652 23.067 1.00 1.38 H new ATOM 0 HE2 TYR A 32 128.648 1.320 18.979 1.00 1.19 H new ATOM 0 HH TYR A 32 127.368 0.175 20.367 1.00 1.55 H new ATOM 561 N ILE A 33 134.953 4.898 21.678 1.00 0.53 N ATOM 562 CA ILE A 33 136.095 5.096 22.568 1.00 0.62 C ATOM 563 C ILE A 33 136.144 6.544 23.082 1.00 0.58 C ATOM 564 O ILE A 33 136.938 6.866 23.969 1.00 0.77 O ATOM 565 CB ILE A 33 137.434 4.760 21.868 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.353 3.400 21.163 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.580 4.767 22.873 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.283 3.279 19.975 1.00 0.85 C ATOM 0 H ILE A 33 135.185 4.920 20.685 1.00 0.53 H new ATOM 0 HA ILE A 33 135.962 4.415 23.408 1.00 0.62 H new ATOM 0 HB ILE A 33 137.625 5.526 21.117 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.588 2.613 21.880 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.328 3.232 20.831 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.513 4.529 22.362 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.658 5.754 23.329 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.390 4.023 23.647 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.173 2.292 19.526 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.034 4.043 19.239 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.313 3.415 20.304 1.00 0.85 H new ATOM 580 N ASP A 34 135.285 7.410 22.528 1.00 0.49 N ATOM 581 CA ASP A 34 135.224 8.811 22.936 1.00 0.54 C ATOM 582 C ASP A 34 134.535 8.965 24.294 1.00 0.44 C ATOM 583 O ASP A 34 134.780 9.943 24.999 1.00 0.47 O ATOM 584 CB ASP A 34 134.481 9.644 21.885 1.00 0.75 C ATOM 585 CG ASP A 34 135.166 10.968 21.603 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.118 11.860 22.477 1.00 1.42 O ATOM 587 OD2 ASP A 34 135.750 11.113 20.508 1.00 1.49 O ATOM 0 H ASP A 34 134.623 7.159 21.794 1.00 0.49 H new ATOM 0 HA ASP A 34 136.248 9.173 23.025 1.00 0.54 H new ATOM 0 HB2 ASP A 34 134.406 9.073 20.960 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.463 9.831 22.227 1.00 0.75 H new ATOM 592 N ASN A 35 133.669 7.997 24.647 1.00 0.53 N ATOM 593 CA ASN A 35 132.928 8.010 25.917 1.00 0.57 C ATOM 594 C ASN A 35 133.763 8.579 27.062 1.00 0.47 C ATOM 595 O ASN A 35 133.257 9.358 27.873 1.00 0.58 O ATOM 596 CB ASN A 35 132.454 6.597 26.276 1.00 0.74 C ATOM 597 CG ASN A 35 131.051 6.312 25.770 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.067 6.560 26.467 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.951 5.791 24.552 1.00 1.32 N ATOM 0 H ASN A 35 133.465 7.188 24.061 1.00 0.53 H new ATOM 0 HA ASN A 35 132.064 8.660 25.777 1.00 0.57 H new ATOM 0 HB2 ASN A 35 133.145 5.867 25.855 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.479 6.472 27.359 1.00 0.74 H new ATOM 0 HD21 ASN A 35 130.033 5.581 24.161 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.793 5.601 24.008 1.00 1.32 H new ATOM 606 N LEU A 36 135.042 8.198 27.114 1.00 0.42 N ATOM 607 CA LEU A 36 135.950 8.685 28.151 1.00 0.47 C ATOM 608 C LEU A 36 135.873 10.210 28.257 1.00 0.42 C ATOM 609 O LEU A 36 135.611 10.751 29.332 1.00 0.53 O ATOM 610 CB LEU A 36 137.391 8.252 27.851 1.00 0.66 C ATOM 611 CG LEU A 36 137.588 6.757 27.575 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.982 6.498 27.022 1.00 1.04 C ATOM 613 CD2 LEU A 36 137.352 5.941 28.840 1.00 1.66 C ATOM 0 H LEU A 36 135.470 7.554 26.449 1.00 0.42 H new ATOM 0 HA LEU A 36 135.645 8.251 29.103 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.748 8.813 26.987 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.020 8.533 28.696 1.00 0.66 H new ATOM 0 HG LEU A 36 136.858 6.446 26.828 1.00 0.85 H new ATOM 0 HD11 LEU A 36 139.106 5.432 26.831 1.00 1.04 H new ATOM 0 HD12 LEU A 36 139.113 7.050 26.092 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.728 6.826 27.746 1.00 1.04 H new ATOM 0 HD21 LEU A 36 137.497 4.883 28.623 1.00 1.66 H new ATOM 0 HD22 LEU A 36 138.057 6.253 29.611 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.333 6.103 29.193 1.00 1.66 H new ATOM 625 N LEU A 37 136.090 10.895 27.129 1.00 0.36 N ATOM 626 CA LEU A 37 136.031 12.356 27.091 1.00 0.40 C ATOM 627 C LEU A 37 134.964 12.841 26.100 1.00 0.32 C ATOM 628 O LEU A 37 135.264 13.573 25.153 1.00 0.42 O ATOM 629 CB LEU A 37 137.403 12.932 26.719 1.00 0.56 C ATOM 630 CG LEU A 37 138.072 12.304 25.490 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.855 13.354 24.714 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.980 11.153 25.905 1.00 0.63 C ATOM 0 H LEU A 37 136.308 10.460 26.233 1.00 0.36 H new ATOM 0 HA LEU A 37 135.755 12.710 28.084 1.00 0.40 H new ATOM 0 HB2 LEU A 37 137.293 14.002 26.544 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.070 12.816 27.573 1.00 0.56 H new ATOM 0 HG LEU A 37 137.293 11.907 24.839 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.323 12.891 23.845 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.178 14.142 24.384 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.625 13.782 25.356 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.446 10.720 25.020 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.753 11.524 26.577 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.391 10.391 26.415 1.00 0.63 H new ATOM 644 N VAL A 38 133.716 12.430 26.331 1.00 0.29 N ATOM 645 CA VAL A 38 132.598 12.813 25.467 1.00 0.41 C ATOM 646 C VAL A 38 131.321 13.029 26.289 1.00 0.38 C ATOM 647 O VAL A 38 131.331 12.880 27.513 1.00 0.61 O ATOM 648 CB VAL A 38 132.353 11.753 24.360 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.369 10.682 24.818 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.874 12.419 23.075 1.00 0.99 C ATOM 0 H VAL A 38 133.453 11.829 27.113 1.00 0.29 H new ATOM 0 HA VAL A 38 132.863 13.753 24.984 1.00 0.41 H new ATOM 0 HB VAL A 38 133.303 11.258 24.158 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.222 9.957 24.017 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.766 10.176 25.698 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.415 11.147 25.067 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.708 11.659 22.311 1.00 0.99 H new ATOM 0 HG22 VAL A 38 130.942 12.951 23.266 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.629 13.124 22.727 1.00 0.99 H new ATOM 660 N ARG A 39 130.221 13.369 25.611 1.00 0.44 N ATOM 661 CA ARG A 39 128.943 13.588 26.284 1.00 0.47 C ATOM 662 C ARG A 39 128.426 12.285 26.895 1.00 0.53 C ATOM 663 O ARG A 39 127.992 11.381 26.178 1.00 0.86 O ATOM 664 CB ARG A 39 127.913 14.156 25.299 1.00 0.59 C ATOM 665 CG ARG A 39 126.592 14.544 25.948 1.00 0.75 C ATOM 666 CD ARG A 39 126.564 16.018 26.328 1.00 0.97 C ATOM 667 NE ARG A 39 127.549 16.339 27.362 1.00 0.93 N ATOM 668 CZ ARG A 39 127.399 16.048 28.659 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.301 15.433 29.093 1.00 1.27 N ATOM 670 NH2 ARG A 39 128.353 16.375 29.525 1.00 1.48 N ATOM 0 H ARG A 39 130.192 13.498 24.600 1.00 0.44 H new ATOM 0 HA ARG A 39 129.097 14.309 27.087 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.337 15.032 24.809 1.00 0.59 H new ATOM 0 HB3 ARG A 39 127.722 13.417 24.521 1.00 0.59 H new ATOM 0 HG2 ARG A 39 125.772 14.329 25.262 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.431 13.935 26.838 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.758 16.624 25.443 1.00 0.97 H new ATOM 0 HD3 ARG A 39 125.568 16.282 26.683 1.00 0.97 H new ATOM 0 HE ARG A 39 128.404 16.815 27.075 1.00 0.93 H new ATOM 0 HH11 ARG A 39 125.565 15.179 28.435 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.196 15.215 30.084 1.00 1.27 H new ATOM 0 HH21 ARG A 39 129.197 16.847 29.200 1.00 1.48 H new ATOM 0 HH22 ARG A 39 128.241 16.154 30.515 1.00 1.48 H new ATOM 684 N VAL A 40 128.484 12.195 28.225 1.00 0.46 N ATOM 685 CA VAL A 40 128.028 11.001 28.935 1.00 0.53 C ATOM 686 C VAL A 40 126.597 11.166 29.446 1.00 0.53 C ATOM 687 O VAL A 40 126.140 12.284 29.695 1.00 0.66 O ATOM 688 CB VAL A 40 128.954 10.649 30.121 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.314 10.182 29.621 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.105 11.832 31.069 1.00 0.78 C ATOM 0 H VAL A 40 128.842 12.934 28.830 1.00 0.46 H new ATOM 0 HA VAL A 40 128.057 10.185 28.213 1.00 0.53 H new ATOM 0 HB VAL A 40 128.493 9.832 30.676 1.00 0.64 H new ATOM 0 HG11 VAL A 40 130.951 9.939 30.472 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.188 9.297 28.998 1.00 0.71 H new ATOM 0 HG13 VAL A 40 130.778 10.975 29.035 1.00 0.71 H new ATOM 0 HG21 VAL A 40 129.762 11.556 31.894 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.534 12.677 30.531 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.127 12.111 31.462 1.00 0.78 H new ATOM 700 N MET A 41 125.895 10.041 29.597 1.00 0.53 N ATOM 701 CA MET A 41 124.513 10.049 30.075 1.00 0.60 C ATOM 702 C MET A 41 124.306 9.004 31.169 1.00 0.86 C ATOM 703 O MET A 41 124.359 9.315 32.359 1.00 1.20 O ATOM 704 CB MET A 41 123.546 9.790 28.915 1.00 0.75 C ATOM 705 CG MET A 41 123.858 8.526 28.124 1.00 0.56 C ATOM 706 SD MET A 41 122.596 8.147 26.893 1.00 0.67 S ATOM 707 CE MET A 41 122.948 9.388 25.651 1.00 0.54 C ATOM 0 H MET A 41 126.263 9.111 29.394 1.00 0.53 H new ATOM 0 HA MET A 41 124.309 11.033 30.496 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.532 9.720 29.309 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.567 10.645 28.239 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.821 8.642 27.627 1.00 0.56 H new ATOM 0 HG3 MET A 41 123.953 7.686 28.812 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.307 9.227 24.784 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.759 10.379 26.063 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.993 9.314 25.349 1.00 0.54 H new ATOM 718 N GLY B 1 135.124 4.483 -27.532 1.00 0.61 N ATOM 719 CA GLY B 1 136.349 3.811 -28.051 1.00 0.61 C ATOM 720 C GLY B 1 136.749 2.607 -27.219 1.00 0.52 C ATOM 721 O GLY B 1 136.355 1.480 -27.521 1.00 0.60 O ATOM 0 H1 GLY B 1 134.893 5.298 -28.135 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.330 3.811 -27.539 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.293 4.809 -26.559 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.178 3.496 -29.081 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.172 4.526 -28.068 1.00 0.61 H new ATOM 727 N SER B 2 137.532 2.850 -26.166 1.00 0.50 N ATOM 728 CA SER B 2 137.988 1.780 -25.277 1.00 0.49 C ATOM 729 C SER B 2 137.152 1.713 -23.998 1.00 0.47 C ATOM 730 O SER B 2 137.521 1.010 -23.057 1.00 0.63 O ATOM 731 CB SER B 2 139.467 1.974 -24.927 1.00 0.55 C ATOM 732 OG SER B 2 140.310 1.359 -25.886 1.00 0.67 O ATOM 0 H SER B 2 137.864 3.779 -25.908 1.00 0.50 H new ATOM 0 HA SER B 2 137.864 0.836 -25.808 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.693 3.039 -24.872 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.667 1.554 -23.941 1.00 0.55 H new ATOM 0 HG SER B 2 141.247 1.501 -25.637 1.00 0.67 H new ATOM 738 N LEU B 3 136.015 2.418 -23.973 1.00 0.48 N ATOM 739 CA LEU B 3 135.130 2.395 -22.810 1.00 0.55 C ATOM 740 C LEU B 3 134.337 1.092 -22.812 1.00 0.65 C ATOM 741 O LEU B 3 133.122 1.082 -23.030 1.00 1.02 O ATOM 742 CB LEU B 3 134.189 3.606 -22.821 1.00 0.62 C ATOM 743 CG LEU B 3 134.651 4.789 -21.968 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.786 5.532 -22.657 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.490 5.731 -21.681 1.00 0.76 C ATOM 0 H LEU B 3 135.691 3.006 -24.740 1.00 0.48 H new ATOM 0 HA LEU B 3 135.727 2.450 -21.900 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.068 3.944 -23.850 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.207 3.287 -22.473 1.00 0.62 H new ATOM 0 HG LEU B 3 135.019 4.403 -21.018 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.102 6.370 -22.036 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.626 4.854 -22.807 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.444 5.904 -23.623 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.840 6.565 -21.073 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.088 6.110 -22.621 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.709 5.193 -21.143 1.00 0.76 H new ATOM 757 N THR B 4 135.053 -0.009 -22.590 1.00 0.46 N ATOM 758 CA THR B 4 134.470 -1.345 -22.582 1.00 0.55 C ATOM 759 C THR B 4 135.281 -2.261 -21.655 1.00 0.42 C ATOM 760 O THR B 4 135.977 -1.779 -20.765 1.00 0.43 O ATOM 761 CB THR B 4 134.445 -1.906 -24.013 1.00 0.72 C ATOM 762 OG1 THR B 4 135.750 -1.923 -24.572 1.00 0.70 O ATOM 763 CG2 THR B 4 133.554 -1.123 -24.956 1.00 0.90 C ATOM 0 H THR B 4 136.057 0.003 -22.410 1.00 0.46 H new ATOM 0 HA THR B 4 133.447 -1.294 -22.209 1.00 0.55 H new ATOM 0 HB THR B 4 134.042 -2.914 -23.914 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.711 -2.285 -25.482 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.586 -1.576 -25.947 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.530 -1.136 -24.584 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.905 -0.093 -25.017 1.00 0.90 H new ATOM 771 N TYR B 5 135.161 -3.576 -21.847 1.00 0.50 N ATOM 772 CA TYR B 5 135.856 -4.581 -21.025 1.00 0.45 C ATOM 773 C TYR B 5 137.283 -4.183 -20.624 1.00 0.41 C ATOM 774 O TYR B 5 137.669 -4.377 -19.470 1.00 0.46 O ATOM 775 CB TYR B 5 135.897 -5.914 -21.776 1.00 0.57 C ATOM 776 CG TYR B 5 136.489 -7.063 -20.978 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.128 -7.279 -19.653 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.409 -7.930 -21.554 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.665 -8.323 -18.926 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.951 -8.978 -20.834 1.00 0.92 C ATOM 781 CZ TYR B 5 137.576 -9.170 -19.522 1.00 0.67 C ATOM 782 OH TYR B 5 138.113 -10.213 -18.802 1.00 0.84 O ATOM 0 H TYR B 5 134.577 -3.980 -22.579 1.00 0.50 H new ATOM 0 HA TYR B 5 135.286 -4.664 -20.099 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.883 -6.180 -22.076 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.477 -5.785 -22.690 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.414 -6.618 -19.184 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.706 -7.783 -22.582 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.374 -8.475 -17.897 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.665 -9.643 -21.297 1.00 0.92 H new ATOM 0 HH TYR B 5 138.736 -10.714 -19.368 1.00 0.84 H new ATOM 792 N GLU B 6 138.073 -3.649 -21.561 1.00 0.49 N ATOM 793 CA GLU B 6 139.456 -3.260 -21.265 1.00 0.50 C ATOM 794 C GLU B 6 139.535 -2.013 -20.378 1.00 0.38 C ATOM 795 O GLU B 6 140.572 -1.751 -19.765 1.00 0.44 O ATOM 796 CB GLU B 6 140.223 -3.012 -22.567 1.00 0.62 C ATOM 797 CG GLU B 6 141.621 -3.609 -22.571 1.00 0.68 C ATOM 798 CD GLU B 6 142.337 -3.411 -23.894 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.199 -4.280 -24.780 1.00 1.14 O ATOM 800 OE2 GLU B 6 143.036 -2.386 -24.043 1.00 1.01 O ATOM 0 H GLU B 6 137.782 -3.477 -22.523 1.00 0.49 H new ATOM 0 HA GLU B 6 139.909 -4.085 -20.716 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.656 -3.430 -23.399 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.295 -1.938 -22.738 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.208 -3.155 -21.773 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.557 -4.675 -22.353 1.00 0.68 H new ATOM 807 N GLU B 7 138.439 -1.258 -20.304 1.00 0.32 N ATOM 808 CA GLU B 7 138.391 -0.051 -19.481 1.00 0.29 C ATOM 809 C GLU B 7 138.282 -0.417 -18.006 1.00 0.27 C ATOM 810 O GLU B 7 139.071 0.054 -17.185 1.00 0.43 O ATOM 811 CB GLU B 7 137.209 0.833 -19.892 1.00 0.43 C ATOM 812 CG GLU B 7 137.337 2.280 -19.433 1.00 0.57 C ATOM 813 CD GLU B 7 137.061 2.456 -17.948 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.900 2.262 -17.528 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.010 2.788 -17.205 1.00 0.80 O ATOM 0 H GLU B 7 137.573 -1.461 -20.804 1.00 0.32 H new ATOM 0 HA GLU B 7 139.315 0.506 -19.637 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.112 0.813 -20.977 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.291 0.411 -19.482 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.342 2.639 -19.656 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.644 2.899 -20.002 1.00 0.57 H new ATOM 822 N VAL B 8 137.309 -1.272 -17.679 1.00 0.35 N ATOM 823 CA VAL B 8 137.101 -1.718 -16.305 1.00 0.37 C ATOM 824 C VAL B 8 138.275 -2.570 -15.817 1.00 0.28 C ATOM 825 O VAL B 8 138.621 -2.541 -14.636 1.00 0.40 O ATOM 826 CB VAL B 8 135.787 -2.522 -16.171 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.862 -3.820 -16.964 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.465 -2.800 -14.709 1.00 0.78 C ATOM 0 H VAL B 8 136.653 -1.668 -18.352 1.00 0.35 H new ATOM 0 HA VAL B 8 137.032 -0.825 -15.684 1.00 0.37 H new ATOM 0 HB VAL B 8 134.980 -1.918 -16.585 1.00 0.54 H new ATOM 0 HG11 VAL B 8 134.926 -4.368 -16.854 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.029 -3.594 -18.017 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.685 -4.428 -16.589 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.536 -3.367 -14.642 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.275 -3.376 -14.261 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.353 -1.856 -14.175 1.00 0.78 H new ATOM 838 N LEU B 9 138.880 -3.327 -16.738 1.00 0.35 N ATOM 839 CA LEU B 9 140.014 -4.187 -16.411 1.00 0.49 C ATOM 840 C LEU B 9 141.105 -3.394 -15.684 1.00 0.52 C ATOM 841 O LEU B 9 141.490 -3.745 -14.568 1.00 0.74 O ATOM 842 CB LEU B 9 140.573 -4.834 -17.689 1.00 0.65 C ATOM 843 CG LEU B 9 140.739 -6.359 -17.640 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.295 -6.881 -18.957 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.645 -6.765 -16.487 1.00 0.76 C ATOM 0 H LEU B 9 138.600 -3.359 -17.718 1.00 0.35 H new ATOM 0 HA LEU B 9 139.670 -4.976 -15.743 1.00 0.49 H new ATOM 0 HB2 LEU B 9 139.913 -4.584 -18.520 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.543 -4.387 -17.907 1.00 0.65 H new ATOM 0 HG LEU B 9 139.756 -6.802 -17.479 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.405 -7.964 -18.902 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.611 -6.627 -19.767 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.267 -6.427 -19.147 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.749 -7.850 -16.471 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.626 -6.308 -16.617 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.210 -6.428 -15.546 1.00 0.76 H new ATOM 857 N GLN B 10 141.597 -2.322 -16.320 1.00 0.41 N ATOM 858 CA GLN B 10 142.644 -1.477 -15.734 1.00 0.48 C ATOM 859 C GLN B 10 142.184 -0.784 -14.444 1.00 0.42 C ATOM 860 O GLN B 10 143.018 -0.357 -13.640 1.00 0.48 O ATOM 861 CB GLN B 10 143.105 -0.432 -16.753 1.00 0.58 C ATOM 862 CG GLN B 10 143.882 -1.027 -17.917 1.00 0.66 C ATOM 863 CD GLN B 10 145.235 -0.370 -18.122 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.168 -0.590 -17.349 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.349 0.440 -19.170 1.00 0.83 N ATOM 0 H GLN B 10 141.285 -2.020 -17.243 1.00 0.41 H new ATOM 0 HA GLN B 10 143.476 -2.130 -15.471 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.234 0.097 -17.140 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.729 0.306 -16.249 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.024 -2.094 -17.745 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.293 -0.927 -18.829 1.00 0.66 H new ATOM 0 HE21 GLN B 10 144.550 0.594 -19.785 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.236 0.908 -19.359 1.00 0.83 H new ATOM 874 N GLU B 11 140.867 -0.678 -14.239 1.00 0.40 N ATOM 875 CA GLU B 11 140.332 -0.041 -13.034 1.00 0.42 C ATOM 876 C GLU B 11 140.717 -0.838 -11.787 1.00 0.37 C ATOM 877 O GLU B 11 141.258 -0.282 -10.829 1.00 0.54 O ATOM 878 CB GLU B 11 138.806 0.099 -13.121 1.00 0.48 C ATOM 879 CG GLU B 11 138.335 0.910 -14.320 1.00 0.62 C ATOM 880 CD GLU B 11 136.896 1.384 -14.194 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.003 0.537 -13.976 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.662 2.605 -14.321 1.00 1.61 O ATOM 0 H GLU B 11 140.158 -1.022 -14.887 1.00 0.40 H new ATOM 0 HA GLU B 11 140.767 0.956 -12.960 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.361 -0.895 -13.168 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.440 0.570 -12.208 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.986 1.775 -14.444 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.434 0.305 -15.221 1.00 0.62 H new ATOM 889 N LEU B 12 140.428 -2.144 -11.804 1.00 0.32 N ATOM 890 CA LEU B 12 140.731 -3.032 -10.676 1.00 0.30 C ATOM 891 C LEU B 12 142.222 -3.023 -10.309 1.00 0.28 C ATOM 892 O LEU B 12 142.569 -3.079 -9.127 1.00 0.36 O ATOM 893 CB LEU B 12 140.286 -4.463 -11.012 1.00 0.32 C ATOM 894 CG LEU B 12 139.656 -5.261 -9.862 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.721 -5.731 -8.882 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.590 -4.439 -9.147 1.00 0.54 C ATOM 0 H LEU B 12 139.981 -2.612 -12.593 1.00 0.32 H new ATOM 0 HA LEU B 12 140.182 -2.661 -9.810 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.568 -4.416 -11.831 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.152 -5.015 -11.379 1.00 0.32 H new ATOM 0 HG LEU B 12 139.174 -6.141 -10.289 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.251 -6.294 -8.076 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.437 -6.369 -9.401 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.240 -4.867 -8.466 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.159 -5.027 -8.337 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.041 -3.535 -8.739 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.806 -4.166 -9.854 1.00 0.54 H new ATOM 908 N VAL B 13 143.103 -2.939 -11.314 1.00 0.25 N ATOM 909 CA VAL B 13 144.545 -2.914 -11.062 1.00 0.26 C ATOM 910 C VAL B 13 144.985 -1.575 -10.456 1.00 0.22 C ATOM 911 O VAL B 13 146.051 -1.484 -9.844 1.00 0.26 O ATOM 912 CB VAL B 13 145.354 -3.200 -12.354 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.799 -1.912 -13.039 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.553 -4.082 -12.042 1.00 0.52 C ATOM 0 H VAL B 13 142.844 -2.888 -12.299 1.00 0.25 H new ATOM 0 HA VAL B 13 144.753 -3.706 -10.342 1.00 0.26 H new ATOM 0 HB VAL B 13 144.698 -3.728 -13.046 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.363 -2.155 -13.940 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.923 -1.321 -13.307 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.430 -1.338 -12.360 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.111 -4.274 -12.958 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.198 -3.578 -11.323 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.210 -5.027 -11.621 1.00 0.52 H new ATOM 924 N LYS B 14 144.142 -0.550 -10.609 1.00 0.24 N ATOM 925 CA LYS B 14 144.426 0.770 -10.061 1.00 0.25 C ATOM 926 C LYS B 14 144.013 0.816 -8.592 1.00 0.22 C ATOM 927 O LYS B 14 144.783 1.248 -7.735 1.00 0.29 O ATOM 928 CB LYS B 14 143.695 1.849 -10.865 1.00 0.34 C ATOM 929 CG LYS B 14 144.423 3.182 -10.894 1.00 0.87 C ATOM 930 CD LYS B 14 143.843 4.116 -11.945 1.00 0.75 C ATOM 931 CE LYS B 14 144.685 5.373 -12.095 1.00 0.70 C ATOM 932 NZ LYS B 14 144.382 6.105 -13.357 1.00 0.72 N ATOM 0 H LYS B 14 143.256 -0.614 -11.110 1.00 0.24 H new ATOM 0 HA LYS B 14 145.496 0.964 -10.130 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.557 1.498 -11.887 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.702 1.996 -10.441 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.359 3.653 -9.913 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.480 3.015 -11.099 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.786 3.598 -12.902 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.825 4.389 -11.669 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.508 6.031 -11.244 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.741 5.105 -12.077 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.979 6.955 -13.417 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.575 5.488 -14.171 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.380 6.384 -13.364 1.00 0.72 H new ATOM 946 N HIS B 15 142.794 0.348 -8.315 1.00 0.24 N ATOM 947 CA HIS B 15 142.272 0.308 -6.950 1.00 0.27 C ATOM 948 C HIS B 15 143.112 -0.635 -6.081 1.00 0.25 C ATOM 949 O HIS B 15 143.311 -0.381 -4.892 1.00 0.45 O ATOM 950 CB HIS B 15 140.807 -0.147 -6.943 1.00 0.33 C ATOM 951 CG HIS B 15 139.841 0.907 -7.393 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.013 1.590 -6.527 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.562 1.385 -8.629 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.267 2.438 -7.211 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.580 2.334 -8.489 1.00 0.76 N ATOM 0 H HIS B 15 142.150 -0.009 -9.021 1.00 0.24 H new ATOM 0 HA HIS B 15 142.329 1.315 -6.537 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.705 -1.019 -7.589 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.540 -0.464 -5.935 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.026 1.077 -9.554 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.526 3.104 -6.795 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.161 2.871 -9.248 1.00 0.76 H new ATOM 964 N LYS B 16 143.605 -1.723 -6.688 1.00 0.21 N ATOM 965 CA LYS B 16 144.425 -2.708 -5.978 1.00 0.27 C ATOM 966 C LYS B 16 145.769 -2.113 -5.555 1.00 0.36 C ATOM 967 O LYS B 16 146.149 -2.206 -4.385 1.00 0.69 O ATOM 968 CB LYS B 16 144.656 -3.949 -6.850 1.00 0.35 C ATOM 969 CG LYS B 16 143.546 -4.985 -6.747 1.00 0.46 C ATOM 970 CD LYS B 16 143.895 -6.262 -7.501 1.00 0.49 C ATOM 971 CE LYS B 16 144.690 -7.232 -6.636 1.00 0.53 C ATOM 972 NZ LYS B 16 146.006 -7.576 -7.244 1.00 0.61 N ATOM 0 H LYS B 16 143.448 -1.942 -7.672 1.00 0.21 H new ATOM 0 HA LYS B 16 143.881 -3.000 -5.079 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.755 -3.638 -7.890 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.601 -4.412 -6.564 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.364 -5.220 -5.698 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.621 -4.568 -7.146 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.979 -6.745 -7.841 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.472 -6.012 -8.391 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.850 -6.792 -5.652 1.00 0.53 H new ATOM 0 HE3 LYS B 16 144.111 -8.143 -6.487 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.513 -8.238 -6.622 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.854 -8.020 -8.172 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.571 -6.711 -7.362 1.00 0.61 H new ATOM 986 N GLU B 17 146.489 -1.504 -6.505 1.00 0.30 N ATOM 987 CA GLU B 17 147.790 -0.900 -6.212 1.00 0.38 C ATOM 988 C GLU B 17 147.641 0.310 -5.289 1.00 0.32 C ATOM 989 O GLU B 17 148.497 0.555 -4.437 1.00 0.40 O ATOM 990 CB GLU B 17 148.504 -0.504 -7.514 1.00 0.51 C ATOM 991 CG GLU B 17 148.079 0.850 -8.075 1.00 0.80 C ATOM 992 CD GLU B 17 148.176 0.936 -9.593 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.828 0.064 -10.209 1.00 1.47 O ATOM 994 OE2 GLU B 17 147.597 1.883 -10.165 1.00 1.49 O ATOM 0 H GLU B 17 146.193 -1.418 -7.477 1.00 0.30 H new ATOM 0 HA GLU B 17 148.398 -1.642 -5.695 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.579 -0.489 -7.335 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.316 -1.271 -8.266 1.00 0.51 H new ATOM 0 HG2 GLU B 17 147.052 1.054 -7.772 1.00 0.80 H new ATOM 0 HG3 GLU B 17 148.702 1.629 -7.634 1.00 0.80 H new ATOM 1001 N LEU B 18 146.544 1.057 -5.454 1.00 0.32 N ATOM 1002 CA LEU B 18 146.279 2.231 -4.625 1.00 0.34 C ATOM 1003 C LEU B 18 146.194 1.835 -3.152 1.00 0.35 C ATOM 1004 O LEU B 18 146.750 2.511 -2.285 1.00 0.66 O ATOM 1005 CB LEU B 18 144.979 2.915 -5.060 1.00 0.51 C ATOM 1006 CG LEU B 18 145.152 4.043 -6.081 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.809 4.438 -6.682 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.825 5.244 -5.432 1.00 0.75 C ATOM 0 H LEU B 18 145.827 0.867 -6.155 1.00 0.32 H new ATOM 0 HA LEU B 18 147.103 2.933 -4.754 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.313 2.162 -5.482 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.485 3.318 -4.176 1.00 0.51 H new ATOM 0 HG LEU B 18 145.790 3.683 -6.888 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.956 5.241 -7.405 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.367 3.576 -7.182 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.142 4.780 -5.890 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.942 6.038 -6.169 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.211 5.603 -4.606 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.805 4.952 -5.055 1.00 0.75 H new ATOM 1020 N LEU B 19 145.510 0.720 -2.885 1.00 0.45 N ATOM 1021 CA LEU B 19 145.364 0.212 -1.524 1.00 0.47 C ATOM 1022 C LEU B 19 146.714 -0.240 -0.965 1.00 0.33 C ATOM 1023 O LEU B 19 146.954 -0.145 0.241 1.00 0.45 O ATOM 1024 CB LEU B 19 144.370 -0.954 -1.489 1.00 0.63 C ATOM 1025 CG LEU B 19 142.960 -0.593 -1.015 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.922 -1.454 -1.721 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.848 -0.749 0.496 1.00 0.96 C ATOM 0 H LEU B 19 145.049 0.153 -3.596 1.00 0.45 H new ATOM 0 HA LEU B 19 144.982 1.022 -0.902 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.302 -1.382 -2.489 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.768 -1.731 -0.836 1.00 0.63 H new ATOM 0 HG LEU B 19 142.769 0.450 -1.267 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.926 -1.183 -1.371 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.985 -1.292 -2.797 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.110 -2.505 -1.501 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.839 -0.488 0.815 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.060 -1.782 0.772 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.565 -0.089 0.984 1.00 0.96 H new ATOM 1039 N ARG B 20 147.592 -0.733 -1.849 1.00 0.35 N ATOM 1040 CA ARG B 20 148.915 -1.200 -1.440 1.00 0.49 C ATOM 1041 C ARG B 20 149.725 -0.062 -0.813 1.00 0.40 C ATOM 1042 O ARG B 20 150.111 -0.151 0.353 1.00 0.49 O ATOM 1043 CB ARG B 20 149.667 -1.800 -2.637 1.00 0.76 C ATOM 1044 CG ARG B 20 150.429 -3.076 -2.305 1.00 0.85 C ATOM 1045 CD ARG B 20 150.321 -4.108 -3.422 1.00 0.96 C ATOM 1046 NE ARG B 20 149.824 -5.398 -2.935 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.193 -6.587 -3.429 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.062 -6.667 -4.436 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.687 -7.703 -2.912 1.00 1.59 N ATOM 0 H ARG B 20 147.407 -0.817 -2.849 1.00 0.35 H new ATOM 0 HA ARG B 20 148.784 -1.978 -0.688 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.954 -2.010 -3.434 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.367 -1.059 -3.023 1.00 0.76 H new ATOM 0 HG2 ARG B 20 151.478 -2.838 -2.131 1.00 0.85 H new ATOM 0 HG3 ARG B 20 150.041 -3.501 -1.379 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.654 -3.733 -4.198 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.299 -4.247 -3.882 1.00 0.96 H new ATOM 0 HE ARG B 20 149.152 -5.390 -2.168 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.454 -5.816 -4.840 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.335 -7.579 -4.803 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.020 -7.652 -2.142 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.966 -8.610 -3.286 1.00 1.59 H new ATOM 1063 N ARG B 21 149.980 1.005 -1.584 1.00 0.35 N ATOM 1064 CA ARG B 21 150.745 2.156 -1.087 1.00 0.35 C ATOM 1065 C ARG B 21 150.146 2.709 0.205 1.00 0.34 C ATOM 1066 O ARG B 21 150.877 3.087 1.117 1.00 0.47 O ATOM 1067 CB ARG B 21 150.800 3.262 -2.147 1.00 0.45 C ATOM 1068 CG ARG B 21 152.212 3.603 -2.603 1.00 0.70 C ATOM 1069 CD ARG B 21 152.211 4.713 -3.645 1.00 0.98 C ATOM 1070 NE ARG B 21 152.449 6.033 -3.052 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.023 7.054 -3.698 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.412 6.923 -4.964 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.205 8.215 -3.078 1.00 1.53 N ATOM 0 H ARG B 21 149.668 1.094 -2.551 1.00 0.35 H new ATOM 0 HA ARG B 21 151.757 1.810 -0.875 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.213 2.954 -3.012 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.330 4.160 -1.747 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.808 3.910 -1.744 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.686 2.714 -3.018 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.979 4.509 -4.391 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.254 4.718 -4.166 1.00 0.98 H new ATOM 0 HE ARG B 21 152.158 6.182 -2.086 1.00 0.97 H new ATOM 0 HH11 ARG B 21 153.273 6.038 -5.451 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.849 7.708 -5.447 1.00 2.12 H new ATOM 0 HH21 ARG B 21 152.907 8.328 -2.109 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.643 8.993 -3.571 1.00 1.53 H new ATOM 1087 N LYS B 22 148.811 2.745 0.280 1.00 0.30 N ATOM 1088 CA LYS B 22 148.118 3.241 1.474 1.00 0.36 C ATOM 1089 C LYS B 22 148.637 2.546 2.747 1.00 0.31 C ATOM 1090 O LYS B 22 148.585 3.115 3.837 1.00 0.36 O ATOM 1091 CB LYS B 22 146.606 3.029 1.329 1.00 0.47 C ATOM 1092 CG LYS B 22 145.803 4.323 1.296 1.00 0.69 C ATOM 1093 CD LYS B 22 144.346 4.090 1.671 1.00 0.86 C ATOM 1094 CE LYS B 22 144.182 3.893 3.172 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.527 5.064 3.824 1.00 0.70 N ATOM 0 H LYS B 22 148.191 2.438 -0.469 1.00 0.30 H new ATOM 0 HA LYS B 22 148.321 4.308 1.568 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.413 2.470 0.414 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.254 2.415 2.158 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.245 5.044 1.984 1.00 0.69 H new ATOM 0 HG3 LYS B 22 145.857 4.760 0.299 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.745 4.940 1.346 1.00 0.86 H new ATOM 0 HD3 LYS B 22 143.969 3.213 1.144 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.589 2.997 3.357 1.00 0.70 H new ATOM 0 HE3 LYS B 22 145.160 3.727 3.624 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.436 4.887 4.845 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.105 5.915 3.671 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.583 5.208 3.412 1.00 0.70 H new ATOM 1109 N ASP B 23 149.208 1.349 2.569 1.00 0.32 N ATOM 1110 CA ASP B 23 149.820 0.606 3.665 1.00 0.32 C ATOM 1111 C ASP B 23 151.312 0.943 3.732 1.00 0.30 C ATOM 1112 O ASP B 23 151.809 1.462 4.729 1.00 0.37 O ATOM 1113 CB ASP B 23 149.623 -0.899 3.466 1.00 0.36 C ATOM 1114 CG ASP B 23 149.251 -1.608 4.752 1.00 0.75 C ATOM 1115 OD1 ASP B 23 150.167 -1.924 5.541 1.00 1.11 O ATOM 1116 OD2 ASP B 23 148.045 -1.844 4.971 1.00 1.15 O ATOM 0 H ASP B 23 149.256 0.875 1.667 1.00 0.32 H new ATOM 0 HA ASP B 23 149.343 0.890 4.603 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.842 -1.065 2.724 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.540 -1.333 3.067 1.00 0.36 H new ATOM 1121 N THR B 24 152.006 0.615 2.638 1.00 0.28 N ATOM 1122 CA THR B 24 153.449 0.840 2.496 1.00 0.29 C ATOM 1123 C THR B 24 153.867 2.246 2.942 1.00 0.27 C ATOM 1124 O THR B 24 154.879 2.406 3.623 1.00 0.32 O ATOM 1125 CB THR B 24 153.873 0.611 1.039 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.324 -0.598 0.542 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.374 0.546 0.849 1.00 0.55 C ATOM 0 H THR B 24 151.579 0.182 1.819 1.00 0.28 H new ATOM 0 HA THR B 24 153.953 0.127 3.148 1.00 0.29 H new ATOM 0 HB THR B 24 153.494 1.474 0.492 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.604 -0.726 -0.388 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.601 0.382 -0.205 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.823 1.484 1.175 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.780 -0.275 1.439 1.00 0.55 H new ATOM 1135 N HIS B 25 153.091 3.259 2.545 1.00 0.26 N ATOM 1136 CA HIS B 25 153.388 4.650 2.896 1.00 0.29 C ATOM 1137 C HIS B 25 153.244 4.896 4.396 1.00 0.31 C ATOM 1138 O HIS B 25 154.122 5.498 5.015 1.00 0.41 O ATOM 1139 CB HIS B 25 152.476 5.602 2.118 1.00 0.34 C ATOM 1140 CG HIS B 25 153.151 6.866 1.685 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.093 7.520 2.451 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.013 7.601 0.555 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.505 8.600 1.812 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.865 8.672 0.660 1.00 0.74 N ATOM 0 H HIS B 25 152.251 3.141 1.979 1.00 0.26 H new ATOM 0 HA HIS B 25 154.425 4.843 2.623 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.093 5.085 1.238 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.616 5.854 2.738 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.355 7.384 -0.274 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.241 9.304 2.171 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.984 9.405 -0.039 1.00 0.74 H new ATOM 1153 N ILE B 26 152.148 4.419 4.987 1.00 0.29 N ATOM 1154 CA ILE B 26 151.938 4.588 6.425 1.00 0.35 C ATOM 1155 C ILE B 26 152.934 3.732 7.217 1.00 0.35 C ATOM 1156 O ILE B 26 153.145 3.952 8.410 1.00 0.47 O ATOM 1157 CB ILE B 26 150.495 4.238 6.855 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.202 2.754 6.622 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.493 5.108 6.107 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.031 2.231 7.425 1.00 0.68 C ATOM 0 H ILE B 26 151.403 3.920 4.501 1.00 0.29 H new ATOM 0 HA ILE B 26 152.103 5.643 6.646 1.00 0.35 H new ATOM 0 HB ILE B 26 150.397 4.437 7.922 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.005 2.594 5.562 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.090 2.174 6.872 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.482 4.850 6.421 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.685 6.158 6.330 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.594 4.940 5.035 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.884 1.173 7.207 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.233 2.358 8.488 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.131 2.785 7.158 1.00 0.68 H new ATOM 1172 N ARG B 27 153.558 2.767 6.527 1.00 0.31 N ATOM 1173 CA ARG B 27 154.547 1.887 7.134 1.00 0.37 C ATOM 1174 C ARG B 27 155.938 2.522 7.075 1.00 0.34 C ATOM 1175 O ARG B 27 156.673 2.506 8.064 1.00 0.39 O ATOM 1176 CB ARG B 27 154.552 0.530 6.422 1.00 0.46 C ATOM 1177 CG ARG B 27 155.531 -0.471 7.014 1.00 0.53 C ATOM 1178 CD ARG B 27 156.341 -1.170 5.934 1.00 0.80 C ATOM 1179 NE ARG B 27 157.498 -1.873 6.488 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.423 -2.494 5.752 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.333 -2.511 4.424 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.443 -3.102 6.348 1.00 1.67 N ATOM 0 H ARG B 27 153.388 2.581 5.539 1.00 0.31 H new ATOM 0 HA ARG B 27 154.282 1.735 8.180 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.548 0.107 6.459 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.795 0.683 5.370 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.205 0.041 7.700 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.985 -1.213 7.597 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.705 -1.879 5.405 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.678 -0.437 5.202 1.00 0.80 H new ATOM 0 HE ARG B 27 157.605 -1.890 7.502 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.552 -2.047 3.960 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.045 -2.988 3.871 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.518 -3.094 7.365 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.151 -3.577 5.788 1.00 1.67 H new ATOM 1196 N GLU B 28 156.293 3.094 5.914 1.00 0.33 N ATOM 1197 CA GLU B 28 157.595 3.743 5.754 1.00 0.36 C ATOM 1198 C GLU B 28 157.680 4.985 6.641 1.00 0.35 C ATOM 1199 O GLU B 28 158.658 5.167 7.369 1.00 0.44 O ATOM 1200 CB GLU B 28 157.879 4.093 4.282 1.00 0.47 C ATOM 1201 CG GLU B 28 156.823 4.965 3.617 1.00 0.78 C ATOM 1202 CD GLU B 28 157.283 6.399 3.415 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.208 6.620 2.605 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.714 7.301 4.066 1.00 1.79 O ATOM 0 H GLU B 28 155.702 3.119 5.083 1.00 0.33 H new ATOM 0 HA GLU B 28 158.364 3.037 6.069 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.840 4.603 4.224 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.975 3.167 3.715 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.558 4.534 2.651 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.919 4.961 4.226 1.00 0.78 H new ATOM 1211 N LEU B 29 156.637 5.823 6.595 1.00 0.33 N ATOM 1212 CA LEU B 29 156.580 7.034 7.416 1.00 0.38 C ATOM 1213 C LEU B 29 156.521 6.685 8.908 1.00 0.42 C ATOM 1214 O LEU B 29 156.832 7.519 9.759 1.00 0.79 O ATOM 1215 CB LEU B 29 155.362 7.881 7.034 1.00 0.46 C ATOM 1216 CG LEU B 29 155.639 9.377 6.858 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.170 9.850 5.488 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.965 10.179 7.964 1.00 0.59 C ATOM 0 H LEU B 29 155.822 5.683 5.997 1.00 0.33 H new ATOM 0 HA LEU B 29 157.488 7.607 7.230 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.946 7.493 6.104 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.598 7.757 7.801 1.00 0.46 H new ATOM 0 HG LEU B 29 156.715 9.539 6.925 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.375 10.915 5.381 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.700 9.299 4.712 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.099 9.675 5.390 1.00 0.82 H new ATOM 0 HD21 LEU B 29 155.173 11.240 7.823 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.888 10.012 7.930 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.351 9.860 8.932 1.00 0.59 H new ATOM 1230 N GLU B 30 156.150 5.434 9.214 1.00 0.43 N ATOM 1231 CA GLU B 30 156.083 4.968 10.596 1.00 0.45 C ATOM 1232 C GLU B 30 157.492 4.857 11.187 1.00 0.44 C ATOM 1233 O GLU B 30 157.686 5.058 12.387 1.00 0.58 O ATOM 1234 CB GLU B 30 155.360 3.619 10.678 1.00 0.51 C ATOM 1235 CG GLU B 30 154.104 3.657 11.537 1.00 0.58 C ATOM 1236 CD GLU B 30 154.410 3.591 13.022 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.828 4.623 13.589 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.233 2.508 13.618 1.00 1.26 O ATOM 0 H GLU B 30 155.893 4.732 8.521 1.00 0.43 H new ATOM 0 HA GLU B 30 155.516 5.695 11.178 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.093 3.297 9.672 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.044 2.872 11.081 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.550 4.572 11.324 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.457 2.823 11.266 1.00 0.58 H new ATOM 1245 N ASP B 31 158.474 4.560 10.326 1.00 0.41 N ATOM 1246 CA ASP B 31 159.870 4.449 10.745 1.00 0.55 C ATOM 1247 C ASP B 31 160.542 5.824 10.750 1.00 0.57 C ATOM 1248 O ASP B 31 161.446 6.077 11.548 1.00 0.76 O ATOM 1249 CB ASP B 31 160.636 3.501 9.817 1.00 0.69 C ATOM 1250 CG ASP B 31 160.970 2.183 10.488 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.034 2.100 11.138 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.168 1.234 10.364 1.00 1.74 O ATOM 0 H ASP B 31 158.322 4.392 9.331 1.00 0.41 H new ATOM 0 HA ASP B 31 159.888 4.044 11.757 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.041 3.311 8.924 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.557 3.983 9.489 1.00 0.69 H new ATOM 1257 N TYR B 32 160.080 6.714 9.862 1.00 0.49 N ATOM 1258 CA TYR B 32 160.621 8.069 9.775 1.00 0.56 C ATOM 1259 C TYR B 32 160.349 8.827 11.072 1.00 0.56 C ATOM 1260 O TYR B 32 161.239 9.483 11.616 1.00 0.67 O ATOM 1261 CB TYR B 32 160.011 8.822 8.588 1.00 0.60 C ATOM 1262 CG TYR B 32 161.025 9.219 7.536 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.888 10.290 7.742 1.00 1.15 C ATOM 1264 CD2 TYR B 32 161.119 8.524 6.336 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.814 10.655 6.783 1.00 1.37 C ATOM 1266 CE2 TYR B 32 162.042 8.884 5.372 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.886 9.949 5.601 1.00 1.21 C ATOM 1268 OH TYR B 32 163.806 10.311 4.643 1.00 1.53 O ATOM 0 H TYR B 32 159.333 6.516 9.196 1.00 0.49 H new ATOM 0 HA TYR B 32 161.698 8.000 9.622 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.247 8.197 8.126 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.511 9.718 8.955 1.00 0.60 H new ATOM 0 HD1 TYR B 32 161.834 10.846 8.667 1.00 1.15 H new ATOM 0 HD2 TYR B 32 160.460 7.688 6.154 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.478 11.489 6.959 1.00 1.37 H new ATOM 0 HE2 TYR B 32 162.101 8.334 4.445 1.00 1.17 H new ATOM 0 HH TYR B 32 163.727 9.712 3.871 1.00 1.53 H new ATOM 1278 N ILE B 33 159.117 8.709 11.573 1.00 0.54 N ATOM 1279 CA ILE B 33 158.727 9.359 12.823 1.00 0.64 C ATOM 1280 C ILE B 33 159.213 8.552 14.038 1.00 0.58 C ATOM 1281 O ILE B 33 159.125 9.019 15.174 1.00 0.78 O ATOM 1282 CB ILE B 33 157.192 9.542 12.920 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.634 10.161 11.633 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.833 10.408 14.121 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.192 9.789 11.361 1.00 0.87 C ATOM 0 H ILE B 33 158.373 8.169 11.131 1.00 0.54 H new ATOM 0 HA ILE B 33 159.198 10.342 12.825 1.00 0.64 H new ATOM 0 HB ILE B 33 156.741 8.558 13.051 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.716 11.246 11.696 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.248 9.844 10.790 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.751 10.526 14.174 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.191 9.931 15.033 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.300 11.387 14.016 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.863 10.261 10.436 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.107 8.706 11.266 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.566 10.131 12.185 1.00 0.87 H new ATOM 1297 N ASP B 34 159.744 7.348 13.786 1.00 0.46 N ATOM 1298 CA ASP B 34 160.259 6.489 14.849 1.00 0.50 C ATOM 1299 C ASP B 34 161.605 6.997 15.372 1.00 0.40 C ATOM 1300 O ASP B 34 161.964 6.715 16.513 1.00 0.45 O ATOM 1301 CB ASP B 34 160.408 5.048 14.350 1.00 0.69 C ATOM 1302 CG ASP B 34 159.916 4.030 15.362 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.597 3.840 16.393 1.00 1.34 O ATOM 1304 OD2 ASP B 34 158.851 3.422 15.123 1.00 1.46 O ATOM 0 H ASP B 34 159.826 6.950 12.850 1.00 0.46 H new ATOM 0 HA ASP B 34 159.541 6.513 15.669 1.00 0.50 H new ATOM 0 HB2 ASP B 34 159.852 4.929 13.420 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.456 4.852 14.122 1.00 0.69 H new ATOM 1309 N ASN B 35 162.345 7.736 14.522 1.00 0.52 N ATOM 1310 CA ASN B 35 163.663 8.287 14.875 1.00 0.58 C ATOM 1311 C ASN B 35 163.727 8.723 16.336 1.00 0.49 C ATOM 1312 O ASN B 35 164.722 8.469 17.017 1.00 0.61 O ATOM 1313 CB ASN B 35 164.012 9.469 13.965 1.00 0.78 C ATOM 1314 CG ASN B 35 164.815 9.044 12.749 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.045 9.017 12.783 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.123 8.709 11.665 1.00 1.31 N ATOM 0 H ASN B 35 162.045 7.966 13.575 1.00 0.52 H new ATOM 0 HA ASN B 35 164.393 7.491 14.731 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.093 9.957 13.638 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.580 10.206 14.533 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.611 8.416 10.819 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.104 8.745 11.679 1.00 1.31 H new ATOM 1323 N LEU B 36 162.658 9.364 16.814 1.00 0.44 N ATOM 1324 CA LEU B 36 162.588 9.818 18.202 1.00 0.51 C ATOM 1325 C LEU B 36 162.965 8.682 19.156 1.00 0.47 C ATOM 1326 O LEU B 36 163.870 8.830 19.979 1.00 0.59 O ATOM 1327 CB LEU B 36 161.181 10.334 18.530 1.00 0.71 C ATOM 1328 CG LEU B 36 160.616 11.377 17.557 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.134 11.598 17.818 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.383 12.688 17.669 1.00 1.64 C ATOM 0 H LEU B 36 161.830 9.580 16.259 1.00 0.44 H new ATOM 0 HA LEU B 36 163.298 10.635 18.330 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.499 9.484 18.560 1.00 0.71 H new ATOM 0 HB3 LEU B 36 161.196 10.766 19.530 1.00 0.71 H new ATOM 0 HG LEU B 36 160.734 11.000 16.541 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.748 12.341 17.120 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.597 10.659 17.683 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.993 11.953 18.839 1.00 1.00 H new ATOM 0 HD21 LEU B 36 160.967 13.414 16.971 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.299 13.073 18.685 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.433 12.517 17.431 1.00 1.64 H new ATOM 1342 N LEU B 37 162.271 7.547 19.028 1.00 0.41 N ATOM 1343 CA LEU B 37 162.537 6.383 19.869 1.00 0.48 C ATOM 1344 C LEU B 37 162.938 5.152 19.039 1.00 0.41 C ATOM 1345 O LEU B 37 162.281 4.110 19.102 1.00 0.54 O ATOM 1346 CB LEU B 37 161.315 6.061 20.740 1.00 0.65 C ATOM 1347 CG LEU B 37 159.976 5.992 19.996 1.00 0.62 C ATOM 1348 CD1 LEU B 37 159.081 4.921 20.605 1.00 0.80 C ATOM 1349 CD2 LEU B 37 159.283 7.349 20.018 1.00 0.69 C ATOM 0 H LEU B 37 161.522 7.413 18.349 1.00 0.41 H new ATOM 0 HA LEU B 37 163.380 6.634 20.513 1.00 0.48 H new ATOM 0 HB2 LEU B 37 161.485 5.105 21.236 1.00 0.65 H new ATOM 0 HB3 LEU B 37 161.238 6.817 21.522 1.00 0.65 H new ATOM 0 HG LEU B 37 160.171 5.724 18.958 1.00 0.62 H new ATOM 0 HD11 LEU B 37 158.135 4.886 20.064 1.00 0.80 H new ATOM 0 HD12 LEU B 37 159.574 3.952 20.535 1.00 0.80 H new ATOM 0 HD13 LEU B 37 158.892 5.157 21.652 1.00 0.80 H new ATOM 0 HD21 LEU B 37 158.334 7.282 19.485 1.00 0.69 H new ATOM 0 HD22 LEU B 37 159.099 7.647 21.050 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.919 8.090 19.534 1.00 0.69 H new ATOM 1361 N VAL B 38 164.042 5.265 18.291 1.00 0.36 N ATOM 1362 CA VAL B 38 164.552 4.147 17.499 1.00 0.49 C ATOM 1363 C VAL B 38 165.630 3.425 18.300 1.00 0.67 C ATOM 1364 O VAL B 38 166.796 3.363 17.901 1.00 1.35 O ATOM 1365 CB VAL B 38 165.128 4.590 16.130 1.00 0.64 C ATOM 1366 CG1 VAL B 38 165.720 3.407 15.375 1.00 1.31 C ATOM 1367 CG2 VAL B 38 164.055 5.250 15.294 1.00 0.89 C ATOM 0 H VAL B 38 164.596 6.118 18.220 1.00 0.36 H new ATOM 0 HA VAL B 38 163.713 3.484 17.288 1.00 0.49 H new ATOM 0 HB VAL B 38 165.924 5.310 16.320 1.00 0.64 H new ATOM 0 HG11 VAL B 38 166.116 3.747 14.418 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.523 2.965 15.964 1.00 1.31 H new ATOM 0 HG13 VAL B 38 164.944 2.661 15.201 1.00 1.31 H new ATOM 0 HG21 VAL B 38 164.476 5.555 14.336 1.00 0.89 H new ATOM 0 HG22 VAL B 38 163.241 4.545 15.124 1.00 0.89 H new ATOM 0 HG23 VAL B 38 163.673 6.126 15.818 1.00 0.89 H new ATOM 1377 N ARG B 39 165.213 2.854 19.423 1.00 0.54 N ATOM 1378 CA ARG B 39 166.085 2.090 20.307 1.00 0.62 C ATOM 1379 C ARG B 39 165.334 1.816 21.608 1.00 0.51 C ATOM 1380 O ARG B 39 165.791 2.160 22.699 1.00 0.63 O ATOM 1381 CB ARG B 39 167.394 2.846 20.589 1.00 0.93 C ATOM 1382 CG ARG B 39 168.638 2.083 20.161 1.00 1.15 C ATOM 1383 CD ARG B 39 168.930 0.920 21.099 1.00 1.41 C ATOM 1384 NE ARG B 39 168.089 -0.243 20.811 1.00 1.58 N ATOM 1385 CZ ARG B 39 168.282 -1.075 19.784 1.00 1.77 C ATOM 1386 NH1 ARG B 39 169.295 -0.885 18.939 1.00 2.06 N ATOM 1387 NH2 ARG B 39 167.456 -2.101 19.601 1.00 2.18 N ATOM 0 H ARG B 39 164.248 2.909 19.750 1.00 0.54 H new ATOM 0 HA ARG B 39 166.353 1.150 19.825 1.00 0.62 H new ATOM 0 HB2 ARG B 39 167.369 3.805 20.072 1.00 0.93 H new ATOM 0 HB3 ARG B 39 167.458 3.061 21.656 1.00 0.93 H new ATOM 0 HG2 ARG B 39 168.505 1.709 19.146 1.00 1.15 H new ATOM 0 HG3 ARG B 39 169.492 2.760 20.142 1.00 1.15 H new ATOM 0 HD2 ARG B 39 169.979 0.639 21.012 1.00 1.41 H new ATOM 0 HD3 ARG B 39 168.770 1.237 22.130 1.00 1.41 H new ATOM 0 HE ARG B 39 167.304 -0.430 21.435 1.00 1.58 H new ATOM 0 HH11 ARG B 39 169.931 -0.099 19.074 1.00 2.06 H new ATOM 0 HH12 ARG B 39 169.434 -1.526 18.158 1.00 2.06 H new ATOM 0 HH21 ARG B 39 166.678 -2.250 20.244 1.00 2.18 H new ATOM 0 HH22 ARG B 39 167.600 -2.738 18.818 1.00 2.18 H new ATOM 1401 N VAL B 40 164.166 1.188 21.459 1.00 0.43 N ATOM 1402 CA VAL B 40 163.290 0.840 22.585 1.00 0.56 C ATOM 1403 C VAL B 40 161.963 0.281 22.073 1.00 0.71 C ATOM 1404 O VAL B 40 161.407 0.785 21.094 1.00 1.15 O ATOM 1405 CB VAL B 40 162.984 2.048 23.511 1.00 0.60 C ATOM 1406 CG1 VAL B 40 163.924 2.066 24.709 1.00 1.04 C ATOM 1407 CG2 VAL B 40 163.045 3.369 22.749 1.00 0.65 C ATOM 0 H VAL B 40 163.798 0.904 20.551 1.00 0.43 H new ATOM 0 HA VAL B 40 163.830 0.093 23.167 1.00 0.56 H new ATOM 0 HB VAL B 40 161.965 1.930 23.880 1.00 0.60 H new ATOM 0 HG11 VAL B 40 163.690 2.921 25.343 1.00 1.04 H new ATOM 0 HG12 VAL B 40 163.802 1.146 25.281 1.00 1.04 H new ATOM 0 HG13 VAL B 40 164.954 2.143 24.362 1.00 1.04 H new ATOM 0 HG21 VAL B 40 162.825 4.192 23.429 1.00 0.65 H new ATOM 0 HG22 VAL B 40 164.042 3.501 22.329 1.00 0.65 H new ATOM 0 HG23 VAL B 40 162.311 3.359 21.943 1.00 0.65 H new ATOM 1417 N MET B 41 161.459 -0.759 22.736 1.00 0.60 N ATOM 1418 CA MET B 41 160.195 -1.380 22.341 1.00 0.74 C ATOM 1419 C MET B 41 159.711 -2.363 23.406 1.00 0.91 C ATOM 1420 O MET B 41 160.496 -3.258 23.788 1.00 0.91 O ATOM 1421 CB MET B 41 160.349 -2.098 20.994 1.00 0.73 C ATOM 1422 CG MET B 41 159.235 -1.788 20.006 1.00 0.74 C ATOM 1423 SD MET B 41 159.842 -1.579 18.319 1.00 0.86 S ATOM 1424 CE MET B 41 159.439 0.141 18.017 1.00 0.70 C ATOM 1425 OXT MET B 41 158.552 -2.228 23.850 1.00 1.13 O ATOM 0 H MET B 41 161.905 -1.188 23.547 1.00 0.60 H new ATOM 0 HA MET B 41 159.450 -0.591 22.239 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.305 -1.818 20.550 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.380 -3.174 21.167 1.00 0.73 H new ATOM 0 HG2 MET B 41 158.501 -2.594 20.027 1.00 0.74 H new ATOM 0 HG3 MET B 41 158.720 -0.879 20.318 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.755 0.417 17.011 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.363 0.285 18.112 1.00 0.70 H new ATOM 0 HE3 MET B 41 159.954 0.769 18.744 1.00 0.70 H new