USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 5 SER OG : rot -48:sc= 0.84 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.38 K(o=2.2,f=0.23) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000288) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0301 (180deg=-0.00706) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 90:sc= 1.2 USER MOD Single : A 35 SER OG : rot 81:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -0.233 (180deg=-1.08) USER MOD Single : A 43 MET CE :methyl -159:sc=-0.00477 (180deg=-0.521) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0852 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -1.23! C(o=-1.2!,f=-5!) USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -163:sc= 0.258 (180deg=-0.196) USER MOD Single : B 27 SER OG : rot -150:sc= -1.04 USER MOD Single : B 30 SER OG : rot 103:sc= 0.283 USER MOD Single : B 35 SER OG : rot 76:sc= 0.807 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 161:sc= 0.728 (180deg=-0.867!) USER MOD Single : B 43 MET CE :methyl 140:sc= -0.161 (180deg=-1.7) USER MOD Single : B 44 SER OG : rot 101:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET B 1 -3.544 -13.345 -5.525 1.00 7.77 N ATOM 2 CA MET B 1 -2.531 -14.099 -4.760 1.00 7.06 C ATOM 3 C MET B 1 -2.356 -15.498 -5.334 1.00 6.64 C ATOM 4 O MET B 1 -3.256 -16.332 -5.248 1.00 7.05 O ATOM 5 CB MET B 1 -2.941 -14.195 -3.288 1.00 7.36 C ATOM 6 CG MET B 1 -2.770 -12.897 -2.523 1.00 7.37 C ATOM 7 SD MET B 1 -1.067 -12.312 -2.535 1.00 7.32 S ATOM 8 CE MET B 1 -1.176 -10.989 -1.338 1.00 8.01 C ATOM 0 H1 MET B 1 -3.649 -12.394 -5.118 1.00 7.77 H new ATOM 0 H2 MET B 1 -3.242 -13.266 -6.517 1.00 7.77 H new ATOM 0 H3 MET B 1 -4.456 -13.844 -5.479 1.00 7.77 H new ATOM 0 HA MET B 1 -1.583 -13.567 -4.835 1.00 7.06 H new ATOM 0 HB2 MET B 1 -3.984 -14.506 -3.230 1.00 7.36 H new ATOM 0 HB3 MET B 1 -2.349 -14.972 -2.805 1.00 7.36 H new ATOM 0 HG2 MET B 1 -3.416 -12.134 -2.958 1.00 7.37 H new ATOM 0 HG3 MET B 1 -3.095 -13.040 -1.492 1.00 7.37 H new ATOM 0 HE1 MET B 1 -0.199 -10.518 -1.226 1.00 8.01 H new ATOM 0 HE2 MET B 1 -1.899 -10.248 -1.679 1.00 8.01 H new ATOM 0 HE3 MET B 1 -1.496 -11.393 -0.378 1.00 8.01 H new ATOM 18 N GLY B 2 -1.205 -15.745 -5.941 1.00 6.08 N ATOM 19 CA GLY B 2 -0.936 -17.047 -6.510 1.00 5.90 C ATOM 20 C GLY B 2 0.274 -17.703 -5.875 1.00 5.47 C ATOM 21 O GLY B 2 1.305 -17.871 -6.520 1.00 5.93 O ATOM 0 H GLY B 2 -0.452 -15.065 -6.049 1.00 6.08 H new ATOM 0 HA2 GLY B 2 -1.808 -17.688 -6.378 1.00 5.90 H new ATOM 0 HA3 GLY B 2 -0.774 -16.948 -7.583 1.00 5.90 H new ATOM 25 N GLY B 3 0.147 -18.062 -4.605 1.00 4.80 N ATOM 26 CA GLY B 3 1.247 -18.688 -3.897 1.00 4.56 C ATOM 27 C GLY B 3 2.105 -17.667 -3.184 1.00 3.81 C ATOM 28 O GLY B 3 3.308 -17.860 -3.013 1.00 4.08 O ATOM 0 H GLY B 3 -0.699 -17.931 -4.051 1.00 4.80 H new ATOM 0 HA2 GLY B 3 0.855 -19.403 -3.174 1.00 4.56 H new ATOM 0 HA3 GLY B 3 1.860 -19.251 -4.601 1.00 4.56 H new ATOM 32 N ILE B 4 1.483 -16.579 -2.767 1.00 3.11 N ATOM 33 CA ILE B 4 2.186 -15.511 -2.082 1.00 2.52 C ATOM 34 C ILE B 4 1.846 -15.506 -0.601 1.00 1.74 C ATOM 35 O ILE B 4 0.784 -15.030 -0.197 1.00 1.73 O ATOM 36 CB ILE B 4 1.840 -14.139 -2.695 1.00 2.66 C ATOM 37 CG1 ILE B 4 2.068 -14.166 -4.210 1.00 3.57 C ATOM 38 CG2 ILE B 4 2.668 -13.038 -2.047 1.00 2.83 C ATOM 39 CD1 ILE B 4 3.498 -14.465 -4.599 1.00 4.20 C ATOM 0 H ILE B 4 0.485 -16.412 -2.892 1.00 3.11 H new ATOM 0 HA ILE B 4 3.254 -15.691 -2.202 1.00 2.52 H new ATOM 0 HB ILE B 4 0.788 -13.928 -2.505 1.00 2.66 H new ATOM 0 HG12 ILE B 4 1.414 -14.916 -4.655 1.00 3.57 H new ATOM 0 HG13 ILE B 4 1.779 -13.203 -4.630 1.00 3.57 H new ATOM 0 HG21 ILE B 4 2.409 -12.078 -2.493 1.00 2.83 H new ATOM 0 HG22 ILE B 4 2.461 -13.009 -0.977 1.00 2.83 H new ATOM 0 HG23 ILE B 4 3.728 -13.238 -2.206 1.00 2.83 H new ATOM 0 HD11 ILE B 4 3.586 -14.468 -5.685 1.00 4.20 H new ATOM 0 HD12 ILE B 4 4.155 -13.701 -4.184 1.00 4.20 H new ATOM 0 HD13 ILE B 4 3.785 -15.441 -4.209 1.00 4.20 H new ATOM 51 N SER B 5 2.747 -16.043 0.202 1.00 1.48 N ATOM 52 CA SER B 5 2.548 -16.101 1.636 1.00 1.06 C ATOM 53 C SER B 5 2.813 -14.740 2.274 1.00 0.87 C ATOM 54 O SER B 5 3.834 -14.103 2.000 1.00 0.82 O ATOM 55 CB SER B 5 3.471 -17.157 2.244 1.00 1.65 C ATOM 56 OG SER B 5 3.565 -18.296 1.400 1.00 2.22 O ATOM 0 H SER B 5 3.627 -16.447 -0.118 1.00 1.48 H new ATOM 0 HA SER B 5 1.511 -16.374 1.833 1.00 1.06 H new ATOM 0 HB2 SER B 5 4.463 -16.732 2.400 1.00 1.65 H new ATOM 0 HB3 SER B 5 3.094 -17.455 3.223 1.00 1.65 H new ATOM 0 HG SER B 5 4.162 -18.957 1.808 1.00 2.22 H new ATOM 62 N ILE B 6 1.890 -14.305 3.128 1.00 0.84 N ATOM 63 CA ILE B 6 2.018 -13.025 3.822 1.00 0.73 C ATOM 64 C ILE B 6 3.274 -13.034 4.695 1.00 0.65 C ATOM 65 O ILE B 6 3.856 -11.988 4.990 1.00 0.58 O ATOM 66 CB ILE B 6 0.767 -12.732 4.688 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.507 -12.851 3.842 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.850 -11.353 5.330 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.604 -11.824 2.730 1.00 0.92 C ATOM 0 H ILE B 6 1.041 -14.822 3.357 1.00 0.84 H new ATOM 0 HA ILE B 6 2.102 -12.235 3.075 1.00 0.73 H new ATOM 0 HB ILE B 6 0.731 -13.473 5.487 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -0.550 -13.849 3.406 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.375 -12.750 4.494 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.042 -11.177 5.931 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.733 -11.301 5.967 1.00 0.74 H new ATOM 0 HG23 ILE B 6 0.919 -10.593 4.552 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.531 -11.973 2.177 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.594 -10.822 3.158 1.00 0.92 H new ATOM 0 HD13 ILE B 6 0.244 -11.938 2.054 1.00 0.92 H new ATOM 81 N TRP B 7 3.683 -14.239 5.081 1.00 0.70 N ATOM 82 CA TRP B 7 4.875 -14.455 5.895 1.00 0.69 C ATOM 83 C TRP B 7 6.084 -13.711 5.326 1.00 0.57 C ATOM 84 O TRP B 7 6.680 -12.875 6.001 1.00 0.50 O ATOM 85 CB TRP B 7 5.182 -15.955 5.960 1.00 0.80 C ATOM 86 CG TRP B 7 5.505 -16.443 7.335 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.625 -16.924 8.256 1.00 0.81 C ATOM 88 CD2 TRP B 7 6.801 -16.503 7.943 1.00 0.80 C ATOM 89 NE1 TRP B 7 5.289 -17.278 9.403 1.00 0.86 N ATOM 90 CE2 TRP B 7 6.626 -17.032 9.237 1.00 0.85 C ATOM 91 CE3 TRP B 7 8.090 -16.168 7.519 1.00 0.96 C ATOM 92 CZ2 TRP B 7 7.695 -17.229 10.110 1.00 1.00 C ATOM 93 CZ3 TRP B 7 9.149 -16.361 8.388 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.945 -16.890 9.670 1.00 1.14 C ATOM 0 H TRP B 7 3.193 -15.099 4.836 1.00 0.70 H new ATOM 0 HA TRP B 7 4.679 -14.067 6.895 1.00 0.69 H new ATOM 0 HB2 TRP B 7 4.324 -16.509 5.580 1.00 0.80 H new ATOM 0 HB3 TRP B 7 6.021 -16.174 5.300 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.559 -17.014 8.105 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.857 -17.662 10.243 1.00 0.86 H new ATOM 0 HE3 TRP B 7 8.256 -15.766 6.531 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 7.542 -17.635 11.099 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 10.149 -16.100 8.074 1.00 1.14 H new ATOM 0 HH2 TRP B 7 9.793 -17.033 10.324 1.00 1.14 H new ATOM 105 N GLN B 8 6.429 -14.010 4.076 1.00 0.58 N ATOM 106 CA GLN B 8 7.577 -13.378 3.425 1.00 0.51 C ATOM 107 C GLN B 8 7.311 -11.903 3.150 1.00 0.41 C ATOM 108 O GLN B 8 8.218 -11.071 3.241 1.00 0.38 O ATOM 109 CB GLN B 8 7.915 -14.092 2.117 1.00 0.58 C ATOM 110 CG GLN B 8 8.257 -15.558 2.298 1.00 0.83 C ATOM 111 CD GLN B 8 7.464 -16.452 1.367 1.00 1.13 C ATOM 112 OE1 GLN B 8 6.309 -16.173 1.055 1.00 1.57 O ATOM 113 NE2 GLN B 8 8.084 -17.520 0.900 1.00 1.28 N ATOM 0 H GLN B 8 5.932 -14.684 3.494 1.00 0.58 H new ATOM 0 HA GLN B 8 8.425 -13.457 4.105 1.00 0.51 H new ATOM 0 HB2 GLN B 8 7.068 -14.006 1.436 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.757 -13.587 1.644 1.00 0.58 H new ATOM 0 HG2 GLN B 8 9.322 -15.705 2.120 1.00 0.83 H new ATOM 0 HG3 GLN B 8 8.063 -15.849 3.330 1.00 0.83 H new ATOM 0 HE21 GLN B 8 9.044 -17.717 1.183 1.00 1.28 H new ATOM 0 HE22 GLN B 8 7.603 -18.148 0.256 1.00 1.28 H new ATOM 122 N LEU B 9 6.065 -11.595 2.812 1.00 0.43 N ATOM 123 CA LEU B 9 5.647 -10.225 2.524 1.00 0.41 C ATOM 124 C LEU B 9 5.941 -9.312 3.714 1.00 0.37 C ATOM 125 O LEU B 9 6.396 -8.179 3.548 1.00 0.37 O ATOM 126 CB LEU B 9 4.146 -10.197 2.199 1.00 0.52 C ATOM 127 CG LEU B 9 3.773 -10.075 0.714 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.683 -8.615 0.310 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.772 -10.818 -0.169 1.00 0.59 C ATOM 0 H LEU B 9 5.317 -12.283 2.729 1.00 0.43 H new ATOM 0 HA LEU B 9 6.209 -9.862 1.663 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.694 -11.108 2.591 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.696 -9.361 2.735 1.00 0.52 H new ATOM 0 HG LEU B 9 2.796 -10.537 0.572 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.418 -8.545 -0.745 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.920 -8.118 0.910 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.646 -8.132 0.475 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.482 -10.714 -1.214 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.767 -10.398 -0.025 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.781 -11.874 0.101 1.00 0.59 H new ATOM 141 N LEU B 10 5.697 -9.825 4.913 1.00 0.39 N ATOM 142 CA LEU B 10 5.932 -9.063 6.133 1.00 0.38 C ATOM 143 C LEU B 10 7.422 -8.793 6.334 1.00 0.35 C ATOM 144 O LEU B 10 7.813 -7.681 6.679 1.00 0.34 O ATOM 145 CB LEU B 10 5.384 -9.817 7.351 1.00 0.39 C ATOM 146 CG LEU B 10 4.426 -9.031 8.258 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.484 -9.570 9.679 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.736 -7.538 8.246 1.00 0.42 C ATOM 0 H LEU B 10 5.336 -10.767 5.067 1.00 0.39 H new ATOM 0 HA LEU B 10 5.412 -8.110 6.032 1.00 0.38 H new ATOM 0 HB2 LEU B 10 4.867 -10.709 6.998 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.227 -10.154 7.953 1.00 0.39 H new ATOM 0 HG LEU B 10 3.417 -9.163 7.867 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.800 -9.004 10.311 1.00 0.49 H new ATOM 0 HD12 LEU B 10 4.195 -10.621 9.682 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.499 -9.472 10.064 1.00 0.49 H new ATOM 0 HD21 LEU B 10 4.037 -7.016 8.899 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.754 -7.375 8.600 1.00 0.42 H new ATOM 0 HD23 LEU B 10 4.639 -7.154 7.230 1.00 0.42 H new ATOM 160 N ILE B 11 8.246 -9.809 6.099 1.00 0.35 N ATOM 161 CA ILE B 11 9.692 -9.688 6.281 1.00 0.35 C ATOM 162 C ILE B 11 10.286 -8.538 5.457 1.00 0.31 C ATOM 163 O ILE B 11 10.957 -7.666 6.008 1.00 0.37 O ATOM 164 CB ILE B 11 10.423 -11.022 5.952 1.00 0.39 C ATOM 165 CG1 ILE B 11 10.565 -11.878 7.215 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.798 -10.776 5.340 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.282 -12.542 7.659 1.00 1.04 C ATOM 0 H ILE B 11 7.938 -10.728 5.781 1.00 0.35 H new ATOM 0 HA ILE B 11 9.851 -9.458 7.335 1.00 0.35 H new ATOM 0 HB ILE B 11 9.817 -11.554 5.219 1.00 0.39 H new ATOM 0 HG12 ILE B 11 11.317 -12.647 7.037 1.00 0.74 H new ATOM 0 HG13 ILE B 11 10.936 -11.251 8.026 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.277 -11.731 5.124 1.00 0.46 H new ATOM 0 HG22 ILE B 11 11.689 -10.208 4.416 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.413 -10.212 6.042 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.468 -13.129 8.559 1.00 1.04 H new ATOM 0 HD12 ILE B 11 8.532 -11.780 7.872 1.00 1.04 H new ATOM 0 HD13 ILE B 11 8.919 -13.197 6.867 1.00 1.04 H new ATOM 179 N ILE B 12 10.023 -8.519 4.155 1.00 0.25 N ATOM 180 CA ILE B 12 10.571 -7.473 3.295 1.00 0.23 C ATOM 181 C ILE B 12 10.002 -6.106 3.658 1.00 0.23 C ATOM 182 O ILE B 12 10.732 -5.115 3.711 1.00 0.21 O ATOM 183 CB ILE B 12 10.313 -7.739 1.798 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.433 -9.225 1.481 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.306 -6.955 0.961 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.900 -9.599 0.117 1.00 0.32 C ATOM 0 H ILE B 12 9.441 -9.206 3.675 1.00 0.25 H new ATOM 0 HA ILE B 12 11.648 -7.483 3.464 1.00 0.23 H new ATOM 0 HB ILE B 12 9.299 -7.417 1.560 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.481 -9.518 1.545 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.896 -9.794 2.240 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.121 -7.145 -0.096 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.192 -5.890 1.164 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.320 -7.266 1.213 1.00 0.26 H new ATOM 0 HD11 ILE B 12 10.019 -10.671 -0.039 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.843 -9.338 0.055 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.453 -9.058 -0.651 1.00 0.32 H new ATOM 198 N ALA B 13 8.704 -6.060 3.926 1.00 0.26 N ATOM 199 CA ALA B 13 8.050 -4.811 4.285 1.00 0.28 C ATOM 200 C ALA B 13 8.615 -4.270 5.609 1.00 0.26 C ATOM 201 O ALA B 13 8.765 -3.062 5.785 1.00 0.26 O ATOM 202 CB ALA B 13 6.547 -5.019 4.385 1.00 0.34 C ATOM 0 H ALA B 13 8.086 -6.871 3.902 1.00 0.26 H new ATOM 0 HA ALA B 13 8.246 -4.074 3.506 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.067 -4.078 4.654 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.162 -5.361 3.424 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.333 -5.767 5.148 1.00 0.34 H new ATOM 208 N VAL B 14 8.934 -5.185 6.534 1.00 0.25 N ATOM 209 CA VAL B 14 9.499 -4.819 7.838 1.00 0.25 C ATOM 210 C VAL B 14 10.896 -4.231 7.671 1.00 0.21 C ATOM 211 O VAL B 14 11.229 -3.213 8.283 1.00 0.21 O ATOM 212 CB VAL B 14 9.553 -6.032 8.807 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.594 -5.835 9.907 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.186 -6.271 9.430 1.00 0.36 C ATOM 0 H VAL B 14 8.809 -6.189 6.401 1.00 0.25 H new ATOM 0 HA VAL B 14 8.840 -4.068 8.274 1.00 0.25 H new ATOM 0 HB VAL B 14 9.845 -6.904 8.221 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.600 -6.706 10.563 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.580 -5.713 9.458 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.347 -4.946 10.487 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.239 -7.124 10.107 1.00 0.36 H new ATOM 0 HG22 VAL B 14 7.880 -5.385 9.986 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.459 -6.476 8.644 1.00 0.36 H new ATOM 224 N ILE B 15 11.707 -4.868 6.834 1.00 0.19 N ATOM 225 CA ILE B 15 13.059 -4.392 6.576 1.00 0.19 C ATOM 226 C ILE B 15 13.008 -2.980 5.989 1.00 0.18 C ATOM 227 O ILE B 15 13.884 -2.151 6.242 1.00 0.22 O ATOM 228 CB ILE B 15 13.814 -5.347 5.619 1.00 0.20 C ATOM 229 CG1 ILE B 15 13.927 -6.741 6.250 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.194 -4.798 5.284 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.474 -7.796 5.311 1.00 0.28 C ATOM 0 H ILE B 15 11.452 -5.714 6.324 1.00 0.19 H new ATOM 0 HA ILE B 15 13.602 -4.368 7.521 1.00 0.19 H new ATOM 0 HB ILE B 15 13.249 -5.426 4.690 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.570 -6.681 7.128 1.00 0.24 H new ATOM 0 HG13 ILE B 15 12.942 -7.053 6.597 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.706 -5.486 4.611 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.092 -3.826 4.801 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.774 -4.689 6.200 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.524 -8.754 5.829 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.819 -7.886 4.444 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.473 -7.508 4.983 1.00 0.28 H new ATOM 243 N VAL B 16 11.948 -2.709 5.235 1.00 0.18 N ATOM 244 CA VAL B 16 11.742 -1.407 4.616 1.00 0.21 C ATOM 245 C VAL B 16 11.633 -0.306 5.676 1.00 0.22 C ATOM 246 O VAL B 16 12.128 0.803 5.482 1.00 0.24 O ATOM 247 CB VAL B 16 10.478 -1.427 3.713 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.640 -0.159 3.839 1.00 0.26 C ATOM 249 CG2 VAL B 16 10.872 -1.652 2.263 1.00 0.28 C ATOM 0 H VAL B 16 11.210 -3.385 5.037 1.00 0.18 H new ATOM 0 HA VAL B 16 12.608 -1.188 3.992 1.00 0.21 H new ATOM 0 HB VAL B 16 9.857 -2.253 4.058 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.771 -0.231 3.185 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.309 -0.043 4.871 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.240 0.704 3.551 1.00 0.26 H new ATOM 0 HG21 VAL B 16 9.977 -1.664 1.641 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.531 -0.848 1.936 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.391 -2.606 2.171 1.00 0.28 H new ATOM 259 N VAL B 17 11.030 -0.636 6.814 1.00 0.23 N ATOM 260 CA VAL B 17 10.849 0.332 7.893 1.00 0.27 C ATOM 261 C VAL B 17 12.184 0.914 8.356 1.00 0.28 C ATOM 262 O VAL B 17 12.315 2.127 8.532 1.00 0.33 O ATOM 263 CB VAL B 17 10.117 -0.296 9.097 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.772 0.766 10.128 1.00 0.35 C ATOM 265 CG2 VAL B 17 8.863 -1.023 8.639 1.00 0.30 C ATOM 0 H VAL B 17 10.659 -1.565 7.014 1.00 0.23 H new ATOM 0 HA VAL B 17 10.237 1.138 7.489 1.00 0.27 H new ATOM 0 HB VAL B 17 10.784 -1.021 9.563 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.256 0.303 10.969 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.687 1.241 10.481 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.125 1.517 9.675 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.360 -1.460 9.502 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.193 -0.318 8.147 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.136 -1.813 7.940 1.00 0.30 H new ATOM 275 N LEU B 18 13.178 0.055 8.535 1.00 0.29 N ATOM 276 CA LEU B 18 14.492 0.497 8.983 1.00 0.32 C ATOM 277 C LEU B 18 15.355 0.950 7.810 1.00 0.33 C ATOM 278 O LEU B 18 16.289 1.731 7.987 1.00 0.44 O ATOM 279 CB LEU B 18 15.194 -0.613 9.765 1.00 0.32 C ATOM 280 CG LEU B 18 15.374 -1.938 9.019 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.828 -2.382 9.075 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.463 -3.004 9.615 1.00 0.24 C ATOM 0 H LEU B 18 13.100 -0.950 8.377 1.00 0.29 H new ATOM 0 HA LEU B 18 14.348 1.353 9.643 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.176 -0.252 10.070 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.628 -0.804 10.677 1.00 0.32 H new ATOM 0 HG LEU B 18 15.100 -1.794 7.974 1.00 0.28 H new ATOM 0 HD11 LEU B 18 16.941 -3.325 8.541 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.458 -1.624 8.610 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.128 -2.516 10.114 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.600 -3.942 9.077 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.712 -3.149 10.666 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.424 -2.684 9.529 1.00 0.24 H new ATOM 294 N LEU B 19 15.021 0.468 6.620 1.00 0.26 N ATOM 295 CA LEU B 19 15.757 0.807 5.406 1.00 0.28 C ATOM 296 C LEU B 19 15.751 2.316 5.163 1.00 0.31 C ATOM 297 O LEU B 19 16.770 2.899 4.793 1.00 0.35 O ATOM 298 CB LEU B 19 15.136 0.077 4.206 1.00 0.24 C ATOM 299 CG LEU B 19 16.131 -0.415 3.146 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.451 -1.329 2.134 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.766 0.761 2.430 1.00 0.28 C ATOM 0 H LEU B 19 14.237 -0.166 6.468 1.00 0.26 H new ATOM 0 HA LEU B 19 16.792 0.490 5.529 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.572 -0.780 4.576 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.421 0.746 3.726 1.00 0.24 H new ATOM 0 HG LEU B 19 16.907 -0.985 3.658 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.181 -1.661 1.396 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.035 -2.195 2.648 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.650 -0.785 1.633 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.469 0.395 1.682 1.00 0.28 H new ATOM 0 HD22 LEU B 19 15.991 1.351 1.942 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.296 1.383 3.151 1.00 0.28 H new ATOM 313 N PHE B 20 14.605 2.946 5.390 1.00 0.32 N ATOM 314 CA PHE B 20 14.460 4.382 5.164 1.00 0.37 C ATOM 315 C PHE B 20 14.203 5.131 6.463 1.00 0.40 C ATOM 316 O PHE B 20 13.704 6.256 6.455 1.00 0.59 O ATOM 317 CB PHE B 20 13.330 4.623 4.167 1.00 0.39 C ATOM 318 CG PHE B 20 13.207 3.509 3.177 1.00 0.34 C ATOM 319 CD1 PHE B 20 14.160 3.337 2.189 1.00 1.05 C ATOM 320 CD2 PHE B 20 12.171 2.604 3.263 1.00 0.96 C ATOM 321 CE1 PHE B 20 14.068 2.281 1.312 1.00 1.02 C ATOM 322 CE2 PHE B 20 12.086 1.543 2.393 1.00 0.97 C ATOM 323 CZ PHE B 20 13.037 1.382 1.413 1.00 0.29 C ATOM 0 H PHE B 20 13.761 2.486 5.731 1.00 0.32 H new ATOM 0 HA PHE B 20 15.394 4.766 4.754 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.389 4.734 4.706 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.507 5.560 3.638 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.980 4.035 2.106 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.416 2.730 4.024 1.00 0.96 H new ATOM 0 HE1 PHE B 20 14.812 2.159 0.539 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.273 0.837 2.479 1.00 0.97 H new ATOM 0 HZ PHE B 20 12.972 0.551 0.726 1.00 0.29 H new ATOM 333 N GLY B 21 14.534 4.488 7.575 1.00 0.30 N ATOM 334 CA GLY B 21 14.357 5.092 8.886 1.00 0.33 C ATOM 335 C GLY B 21 12.927 5.515 9.179 1.00 0.27 C ATOM 336 O GLY B 21 12.701 6.404 10.003 1.00 0.34 O ATOM 0 H GLY B 21 14.927 3.547 7.594 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.680 4.383 9.649 1.00 0.33 H new ATOM 0 HA3 GLY B 21 15.007 5.963 8.965 1.00 0.33 H new ATOM 340 N THR B 22 11.965 4.891 8.496 1.00 0.27 N ATOM 341 CA THR B 22 10.545 5.197 8.685 1.00 0.33 C ATOM 342 C THR B 22 10.238 6.671 8.381 1.00 0.42 C ATOM 343 O THR B 22 9.237 7.219 8.844 1.00 0.59 O ATOM 344 CB THR B 22 10.104 4.851 10.124 1.00 0.35 C ATOM 345 OG1 THR B 22 10.855 3.720 10.592 1.00 0.85 O ATOM 346 CG2 THR B 22 8.617 4.527 10.184 1.00 0.74 C ATOM 0 H THR B 22 12.145 4.166 7.802 1.00 0.27 H new ATOM 0 HA THR B 22 9.982 4.584 7.981 1.00 0.33 H new ATOM 0 HB THR B 22 10.291 5.718 10.757 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.578 3.499 11.506 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.338 4.288 11.210 1.00 0.74 H new ATOM 0 HG22 THR B 22 8.043 5.389 9.843 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.405 3.672 9.542 1.00 0.74 H new ATOM 354 N LYS B 23 11.093 7.292 7.567 1.00 0.41 N ATOM 355 CA LYS B 23 10.939 8.700 7.203 1.00 0.58 C ATOM 356 C LYS B 23 9.589 8.998 6.550 1.00 0.73 C ATOM 357 O LYS B 23 8.716 9.607 7.165 1.00 1.13 O ATOM 358 CB LYS B 23 12.071 9.127 6.267 1.00 0.57 C ATOM 359 CG LYS B 23 13.382 9.415 6.981 1.00 0.79 C ATOM 360 CD LYS B 23 14.377 10.090 6.049 1.00 0.96 C ATOM 361 CE LYS B 23 15.643 10.499 6.784 1.00 1.41 C ATOM 362 NZ LYS B 23 16.427 11.502 6.018 1.00 1.89 N ATOM 0 H LYS B 23 11.904 6.838 7.146 1.00 0.41 H new ATOM 0 HA LYS B 23 10.983 9.273 8.129 1.00 0.58 H new ATOM 0 HB2 LYS B 23 12.235 8.342 5.529 1.00 0.57 H new ATOM 0 HB3 LYS B 23 11.762 10.018 5.721 1.00 0.57 H new ATOM 0 HG2 LYS B 23 13.197 10.054 7.844 1.00 0.79 H new ATOM 0 HG3 LYS B 23 13.806 8.485 7.358 1.00 0.79 H new ATOM 0 HD2 LYS B 23 14.631 9.412 5.235 1.00 0.96 H new ATOM 0 HD3 LYS B 23 13.916 10.970 5.599 1.00 0.96 H new ATOM 0 HE2 LYS B 23 15.380 10.910 7.759 1.00 1.41 H new ATOM 0 HE3 LYS B 23 16.259 9.618 6.965 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 17.283 11.755 6.552 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 16.699 11.101 5.098 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 15.849 12.353 5.867 1.00 1.89 H new ATOM 376 N LYS B 24 9.409 8.553 5.310 1.00 0.73 N ATOM 377 CA LYS B 24 8.167 8.819 4.594 1.00 1.03 C ATOM 378 C LYS B 24 7.115 7.765 4.883 1.00 0.71 C ATOM 379 O LYS B 24 5.964 7.913 4.482 1.00 0.55 O ATOM 380 CB LYS B 24 8.418 8.923 3.090 1.00 1.60 C ATOM 381 CG LYS B 24 9.119 10.209 2.679 1.00 2.50 C ATOM 382 CD LYS B 24 8.338 11.449 3.089 1.00 3.67 C ATOM 383 CE LYS B 24 9.072 12.723 2.703 1.00 4.88 C ATOM 384 NZ LYS B 24 10.459 12.750 3.244 1.00 5.98 N ATOM 0 H LYS B 24 10.098 8.013 4.786 1.00 0.73 H new ATOM 0 HA LYS B 24 7.786 9.775 4.952 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.020 8.072 2.771 1.00 1.60 H new ATOM 0 HB3 LYS B 24 7.465 8.854 2.565 1.00 1.60 H new ATOM 0 HG2 LYS B 24 10.110 10.240 3.132 1.00 2.50 H new ATOM 0 HG3 LYS B 24 9.262 10.213 1.598 1.00 2.50 H new ATOM 0 HD2 LYS B 24 7.357 11.435 2.615 1.00 3.67 H new ATOM 0 HD3 LYS B 24 8.172 11.436 4.166 1.00 3.67 H new ATOM 0 HE2 LYS B 24 9.104 12.809 1.617 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.520 13.587 3.075 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 10.824 13.723 3.215 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 10.455 12.411 4.227 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 11.068 12.135 2.668 1.00 5.98 H new ATOM 398 N LEU B 25 7.501 6.710 5.582 1.00 0.71 N ATOM 399 CA LEU B 25 6.554 5.658 5.929 1.00 0.62 C ATOM 400 C LEU B 25 5.489 6.223 6.856 1.00 0.44 C ATOM 401 O LEU B 25 4.319 5.851 6.785 1.00 0.56 O ATOM 402 CB LEU B 25 7.262 4.481 6.596 1.00 0.76 C ATOM 403 CG LEU B 25 7.978 3.528 5.642 1.00 0.71 C ATOM 404 CD1 LEU B 25 9.437 3.918 5.496 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.848 2.095 6.135 1.00 0.75 C ATOM 0 H LEU B 25 8.452 6.558 5.918 1.00 0.71 H new ATOM 0 HA LEU B 25 6.087 5.293 5.014 1.00 0.62 H new ATOM 0 HB2 LEU B 25 7.989 4.871 7.308 1.00 0.76 H new ATOM 0 HB3 LEU B 25 6.528 3.913 7.168 1.00 0.76 H new ATOM 0 HG LEU B 25 7.509 3.598 4.660 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.931 3.228 4.812 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.505 4.931 5.100 1.00 0.86 H new ATOM 0 HD13 LEU B 25 9.924 3.875 6.470 1.00 0.86 H new ATOM 0 HD21 LEU B 25 8.363 1.425 5.446 1.00 0.75 H new ATOM 0 HD22 LEU B 25 8.294 2.009 7.126 1.00 0.75 H new ATOM 0 HD23 LEU B 25 6.794 1.822 6.187 1.00 0.75 H new ATOM 417 N GLY B 26 5.911 7.152 7.708 1.00 0.42 N ATOM 418 CA GLY B 26 5.003 7.788 8.638 1.00 0.53 C ATOM 419 C GLY B 26 4.133 8.823 7.958 1.00 0.60 C ATOM 420 O GLY B 26 3.121 9.252 8.500 1.00 0.87 O ATOM 0 H GLY B 26 6.876 7.476 7.769 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.371 7.032 9.103 1.00 0.53 H new ATOM 0 HA3 GLY B 26 5.574 8.262 9.437 1.00 0.53 H new ATOM 424 N SER B 27 4.529 9.220 6.761 1.00 0.53 N ATOM 425 CA SER B 27 3.784 10.211 6.008 1.00 0.58 C ATOM 426 C SER B 27 2.781 9.532 5.083 1.00 0.51 C ATOM 427 O SER B 27 1.577 9.761 5.181 1.00 0.53 O ATOM 428 CB SER B 27 4.746 11.080 5.199 1.00 0.66 C ATOM 429 OG SER B 27 6.068 10.973 5.703 1.00 0.89 O ATOM 0 H SER B 27 5.363 8.870 6.290 1.00 0.53 H new ATOM 0 HA SER B 27 3.236 10.844 6.706 1.00 0.58 H new ATOM 0 HB2 SER B 27 4.725 10.776 4.153 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.421 12.120 5.235 1.00 0.66 H new ATOM 0 HG SER B 27 6.548 11.812 5.542 1.00 0.89 H new ATOM 435 N ILE B 28 3.288 8.662 4.213 1.00 0.47 N ATOM 436 CA ILE B 28 2.445 7.951 3.261 1.00 0.44 C ATOM 437 C ILE B 28 1.459 7.041 3.997 1.00 0.42 C ATOM 438 O ILE B 28 0.334 6.832 3.545 1.00 0.41 O ATOM 439 CB ILE B 28 3.283 7.104 2.270 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.912 5.889 2.959 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.362 7.962 1.641 1.00 0.80 C ATOM 442 CD1 ILE B 28 4.649 4.971 2.010 1.00 1.25 C ATOM 0 H ILE B 28 4.280 8.434 4.149 1.00 0.47 H new ATOM 0 HA ILE B 28 1.898 8.703 2.691 1.00 0.44 H new ATOM 0 HB ILE B 28 2.613 6.736 1.493 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.603 6.235 3.728 1.00 1.16 H new ATOM 0 HG13 ILE B 28 3.130 5.323 3.465 1.00 1.16 H new ATOM 0 HG21 ILE B 28 4.947 7.360 0.946 1.00 0.80 H new ATOM 0 HG22 ILE B 28 3.901 8.791 1.104 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.016 8.354 2.420 1.00 0.80 H new ATOM 0 HD11 ILE B 28 5.068 4.133 2.567 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.957 4.596 1.256 1.00 1.25 H new ATOM 0 HD13 ILE B 28 5.453 5.522 1.522 1.00 1.25 H new ATOM 454 N GLY B 29 1.885 6.529 5.154 1.00 0.46 N ATOM 455 CA GLY B 29 1.051 5.638 5.937 1.00 0.48 C ATOM 456 C GLY B 29 -0.092 6.358 6.619 1.00 0.46 C ATOM 457 O GLY B 29 -1.174 5.798 6.779 1.00 0.50 O ATOM 0 H GLY B 29 2.800 6.720 5.561 1.00 0.46 H new ATOM 0 HA2 GLY B 29 0.649 4.859 5.289 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.663 5.142 6.690 1.00 0.48 H new ATOM 461 N SER B 30 0.145 7.596 7.031 1.00 0.43 N ATOM 462 CA SER B 30 -0.880 8.387 7.692 1.00 0.45 C ATOM 463 C SER B 30 -1.879 8.938 6.684 1.00 0.42 C ATOM 464 O SER B 30 -3.090 8.836 6.882 1.00 0.45 O ATOM 465 CB SER B 30 -0.251 9.533 8.480 1.00 0.47 C ATOM 466 OG SER B 30 0.342 9.062 9.673 1.00 0.94 O ATOM 0 H SER B 30 1.039 8.073 6.918 1.00 0.43 H new ATOM 0 HA SER B 30 -1.411 7.732 8.383 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.501 10.030 7.868 1.00 0.47 H new ATOM 0 HB3 SER B 30 -1.012 10.277 8.717 1.00 0.47 H new ATOM 0 HG SER B 30 1.315 9.021 9.561 1.00 0.94 H new ATOM 472 N ASP B 31 -1.366 9.505 5.600 1.00 0.37 N ATOM 473 CA ASP B 31 -2.218 10.076 4.565 1.00 0.38 C ATOM 474 C ASP B 31 -3.097 8.998 3.949 1.00 0.37 C ATOM 475 O ASP B 31 -4.317 9.149 3.850 1.00 0.39 O ATOM 476 CB ASP B 31 -1.376 10.763 3.489 1.00 0.38 C ATOM 477 CG ASP B 31 -0.985 12.177 3.880 1.00 0.96 C ATOM 478 OD1 ASP B 31 -0.206 12.336 4.839 1.00 1.48 O ATOM 479 OD2 ASP B 31 -1.462 13.129 3.227 1.00 1.35 O ATOM 0 H ASP B 31 -0.366 9.582 5.415 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.861 10.827 5.024 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.476 10.177 3.306 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.935 10.788 2.554 1.00 0.38 H new ATOM 484 N LEU B 32 -2.476 7.895 3.554 1.00 0.36 N ATOM 485 CA LEU B 32 -3.215 6.785 2.973 1.00 0.36 C ATOM 486 C LEU B 32 -3.969 6.022 4.060 1.00 0.38 C ATOM 487 O LEU B 32 -4.925 5.306 3.776 1.00 0.40 O ATOM 488 CB LEU B 32 -2.283 5.856 2.192 1.00 0.36 C ATOM 489 CG LEU B 32 -2.389 5.996 0.673 1.00 0.38 C ATOM 490 CD1 LEU B 32 -1.074 5.677 -0.014 1.00 0.59 C ATOM 491 CD2 LEU B 32 -3.491 5.106 0.133 1.00 0.57 C ATOM 0 H LEU B 32 -1.469 7.746 3.625 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.944 7.187 2.270 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.254 6.054 2.493 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.502 4.824 2.467 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.633 7.036 0.457 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -1.190 5.788 -1.092 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -0.303 6.361 0.340 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.783 4.652 0.216 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -3.552 5.219 -0.949 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -3.272 4.067 0.378 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -4.442 5.392 0.582 1.00 0.57 H new ATOM 503 N GLY B 33 -3.539 6.195 5.309 1.00 0.38 N ATOM 504 CA GLY B 33 -4.196 5.545 6.428 1.00 0.39 C ATOM 505 C GLY B 33 -5.583 6.114 6.641 1.00 0.41 C ATOM 506 O GLY B 33 -6.538 5.383 6.900 1.00 0.42 O ATOM 0 H GLY B 33 -2.742 6.778 5.565 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.262 4.473 6.244 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.601 5.677 7.332 1.00 0.39 H new ATOM 510 N ALA B 34 -5.683 7.430 6.527 1.00 0.41 N ATOM 511 CA ALA B 34 -6.958 8.118 6.660 1.00 0.44 C ATOM 512 C ALA B 34 -7.849 7.746 5.488 1.00 0.44 C ATOM 513 O ALA B 34 -9.068 7.629 5.614 1.00 0.49 O ATOM 514 CB ALA B 34 -6.740 9.620 6.694 1.00 0.44 C ATOM 0 H ALA B 34 -4.891 8.046 6.342 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.438 7.817 7.591 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.701 10.125 6.794 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -6.106 9.876 7.542 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -6.257 9.939 5.770 1.00 0.44 H new ATOM 520 N SER B 35 -7.214 7.547 4.343 1.00 0.42 N ATOM 521 CA SER B 35 -7.911 7.173 3.129 1.00 0.42 C ATOM 522 C SER B 35 -8.380 5.720 3.216 1.00 0.41 C ATOM 523 O SER B 35 -9.372 5.335 2.595 1.00 0.40 O ATOM 524 CB SER B 35 -6.983 7.365 1.935 1.00 0.43 C ATOM 525 OG SER B 35 -6.411 8.665 1.950 1.00 0.48 O ATOM 0 H SER B 35 -6.204 7.641 4.233 1.00 0.42 H new ATOM 0 HA SER B 35 -8.789 7.807 3.004 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.193 6.614 1.957 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.538 7.217 1.009 1.00 0.43 H new ATOM 0 HG SER B 35 -5.702 8.703 2.626 1.00 0.48 H new ATOM 531 N ILE B 36 -7.666 4.928 4.015 1.00 0.45 N ATOM 532 CA ILE B 36 -7.985 3.519 4.202 1.00 0.47 C ATOM 533 C ILE B 36 -9.334 3.358 4.903 1.00 0.43 C ATOM 534 O ILE B 36 -10.116 2.473 4.563 1.00 0.43 O ATOM 535 CB ILE B 36 -6.856 2.775 4.981 1.00 0.57 C ATOM 536 CG1 ILE B 36 -6.365 1.567 4.181 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.300 2.332 6.373 1.00 0.55 C ATOM 538 CD1 ILE B 36 -5.657 1.933 2.893 1.00 1.03 C ATOM 0 H ILE B 36 -6.855 5.245 4.547 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.056 3.061 3.216 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.039 3.485 5.111 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -5.688 0.982 4.803 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -7.216 0.927 3.948 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.477 1.820 6.872 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -7.591 3.205 6.957 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -8.149 1.654 6.286 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -5.338 1.024 2.382 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -6.337 2.492 2.250 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -4.785 2.547 3.119 1.00 1.03 H new ATOM 550 N LYS B 37 -9.617 4.237 5.858 1.00 0.42 N ATOM 551 CA LYS B 37 -10.879 4.175 6.583 1.00 0.41 C ATOM 552 C LYS B 37 -11.972 4.894 5.799 1.00 0.43 C ATOM 553 O LYS B 37 -13.158 4.741 6.081 1.00 0.55 O ATOM 554 CB LYS B 37 -10.741 4.777 7.990 1.00 0.44 C ATOM 555 CG LYS B 37 -10.463 6.271 7.996 1.00 0.46 C ATOM 556 CD LYS B 37 -10.510 6.849 9.400 1.00 0.51 C ATOM 557 CE LYS B 37 -10.415 8.366 9.375 1.00 0.58 C ATOM 558 NZ LYS B 37 -10.637 8.953 10.719 1.00 0.70 N ATOM 0 H LYS B 37 -8.996 4.993 6.146 1.00 0.42 H new ATOM 0 HA LYS B 37 -11.156 3.127 6.694 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.658 4.586 8.548 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.935 4.265 8.516 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.483 6.460 7.558 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.196 6.779 7.369 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -11.437 6.548 9.889 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.691 6.441 9.992 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -9.433 8.663 9.006 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -11.152 8.765 8.678 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -10.564 9.989 10.662 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -11.584 8.691 11.060 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -9.919 8.592 11.379 1.00 0.70 H new ATOM 572 N GLY B 38 -11.553 5.671 4.808 1.00 0.36 N ATOM 573 CA GLY B 38 -12.491 6.403 3.985 1.00 0.42 C ATOM 574 C GLY B 38 -13.060 5.550 2.871 1.00 0.44 C ATOM 575 O GLY B 38 -14.259 5.597 2.598 1.00 0.51 O ATOM 0 H GLY B 38 -10.573 5.806 4.560 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.305 6.775 4.607 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -11.994 7.273 3.556 1.00 0.42 H new ATOM 579 N PHE B 39 -12.205 4.761 2.228 1.00 0.44 N ATOM 580 CA PHE B 39 -12.647 3.902 1.137 1.00 0.52 C ATOM 581 C PHE B 39 -13.363 2.670 1.680 1.00 0.43 C ATOM 582 O PHE B 39 -14.345 2.207 1.104 1.00 0.48 O ATOM 583 CB PHE B 39 -11.459 3.518 0.228 1.00 0.70 C ATOM 584 CG PHE B 39 -10.809 2.192 0.526 1.00 0.74 C ATOM 585 CD1 PHE B 39 -11.263 1.036 -0.084 1.00 0.74 C ATOM 586 CD2 PHE B 39 -9.744 2.107 1.402 1.00 1.21 C ATOM 587 CE1 PHE B 39 -10.669 -0.182 0.174 1.00 1.06 C ATOM 588 CE2 PHE B 39 -9.145 0.889 1.666 1.00 1.48 C ATOM 589 CZ PHE B 39 -9.610 -0.257 1.053 1.00 1.36 C ATOM 0 H PHE B 39 -11.210 4.699 2.442 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.361 4.455 0.526 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.805 3.508 -0.806 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.701 4.298 0.303 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -12.094 1.088 -0.772 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.376 3.000 1.885 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -11.033 -1.075 -0.312 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -8.313 0.834 2.352 1.00 1.48 H new ATOM 0 HZ PHE B 39 -9.145 -1.209 1.261 1.00 1.36 H new ATOM 599 N LYS B 40 -12.892 2.171 2.820 1.00 0.41 N ATOM 600 CA LYS B 40 -13.486 0.995 3.439 1.00 0.44 C ATOM 601 C LYS B 40 -14.849 1.336 4.035 1.00 0.43 C ATOM 602 O LYS B 40 -15.661 0.454 4.299 1.00 0.50 O ATOM 603 CB LYS B 40 -12.557 0.432 4.519 1.00 0.52 C ATOM 604 CG LYS B 40 -12.735 -1.061 4.752 1.00 0.86 C ATOM 605 CD LYS B 40 -11.883 -1.890 3.797 1.00 0.97 C ATOM 606 CE LYS B 40 -12.034 -3.377 4.079 1.00 1.34 C ATOM 607 NZ LYS B 40 -11.111 -4.204 3.256 1.00 1.61 N ATOM 0 H LYS B 40 -12.102 2.564 3.331 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.625 0.234 2.671 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.523 0.627 4.236 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.737 0.962 5.454 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.467 -1.303 5.781 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -13.785 -1.326 4.625 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.176 -1.680 2.768 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -10.836 -1.602 3.896 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -11.843 -3.565 5.135 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -13.063 -3.679 3.882 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -11.250 -5.209 3.483 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -11.309 -4.046 2.247 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -10.128 -3.936 3.462 1.00 1.61 H new ATOM 621 N LYS B 41 -15.098 2.632 4.217 1.00 0.40 N ATOM 622 CA LYS B 41 -16.362 3.106 4.778 1.00 0.45 C ATOM 623 C LYS B 41 -17.505 2.913 3.779 1.00 0.41 C ATOM 624 O LYS B 41 -18.676 2.943 4.150 1.00 0.48 O ATOM 625 CB LYS B 41 -16.253 4.584 5.175 1.00 0.53 C ATOM 626 CG LYS B 41 -17.189 4.994 6.306 1.00 0.66 C ATOM 627 CD LYS B 41 -16.793 4.362 7.634 1.00 0.77 C ATOM 628 CE LYS B 41 -17.747 4.769 8.746 1.00 0.94 C ATOM 629 NZ LYS B 41 -19.107 4.210 8.538 1.00 1.04 N ATOM 0 H LYS B 41 -14.439 3.374 3.983 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.578 2.518 5.670 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.226 4.794 5.473 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.464 5.201 4.301 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -17.183 6.079 6.405 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -18.209 4.702 6.056 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -16.788 3.276 7.535 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -15.778 4.663 7.894 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.356 4.426 9.704 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -17.805 5.856 8.796 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -19.630 4.226 9.437 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -19.613 4.782 7.833 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -19.031 3.230 8.199 1.00 1.04 H new ATOM 643 N ALA B 42 -17.159 2.730 2.507 1.00 0.32 N ATOM 644 CA ALA B 42 -18.163 2.512 1.471 1.00 0.29 C ATOM 645 C ALA B 42 -18.476 1.030 1.356 1.00 0.27 C ATOM 646 O ALA B 42 -19.455 0.633 0.731 1.00 0.41 O ATOM 647 CB ALA B 42 -17.690 3.056 0.124 1.00 0.31 C ATOM 0 H ALA B 42 -16.196 2.728 2.171 1.00 0.32 H new ATOM 0 HA ALA B 42 -19.068 3.049 1.754 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.458 2.880 -0.629 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.504 4.127 0.209 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.770 2.550 -0.170 1.00 0.31 H new ATOM 653 N MET B 43 -17.647 0.217 1.985 1.00 0.37 N ATOM 654 CA MET B 43 -17.812 -1.224 1.943 1.00 0.43 C ATOM 655 C MET B 43 -18.163 -1.761 3.326 1.00 0.48 C ATOM 656 O MET B 43 -17.876 -2.910 3.651 1.00 0.72 O ATOM 657 CB MET B 43 -16.527 -1.882 1.431 1.00 0.54 C ATOM 658 CG MET B 43 -16.079 -1.378 0.067 1.00 0.75 C ATOM 659 SD MET B 43 -14.283 -1.342 -0.115 1.00 1.39 S ATOM 660 CE MET B 43 -13.860 -3.005 0.395 1.00 1.21 C ATOM 0 H MET B 43 -16.848 0.533 2.534 1.00 0.37 H new ATOM 0 HA MET B 43 -18.629 -1.463 1.262 1.00 0.43 H new ATOM 0 HB2 MET B 43 -15.729 -1.708 2.152 1.00 0.54 H new ATOM 0 HB3 MET B 43 -16.679 -2.960 1.378 1.00 0.54 H new ATOM 0 HG2 MET B 43 -16.505 -2.016 -0.708 1.00 0.75 H new ATOM 0 HG3 MET B 43 -16.475 -0.375 -0.092 1.00 0.75 H new ATOM 0 HE1 MET B 43 -13.072 -3.394 -0.250 1.00 1.21 H new ATOM 0 HE2 MET B 43 -13.511 -2.991 1.427 1.00 1.21 H new ATOM 0 HE3 MET B 43 -14.740 -3.644 0.318 1.00 1.21 H new ATOM 670 N SER B 44 -18.787 -0.924 4.141 1.00 0.56 N ATOM 671 CA SER B 44 -19.163 -1.328 5.484 1.00 0.66 C ATOM 672 C SER B 44 -20.632 -1.034 5.761 1.00 0.66 C ATOM 673 O SER B 44 -21.196 -0.068 5.241 1.00 0.99 O ATOM 674 CB SER B 44 -18.277 -0.629 6.516 1.00 0.88 C ATOM 675 OG SER B 44 -18.301 0.778 6.351 1.00 1.35 O ATOM 0 H SER B 44 -19.042 0.033 3.897 1.00 0.56 H new ATOM 0 HA SER B 44 -19.017 -2.405 5.563 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.615 -0.885 7.520 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.253 -0.990 6.423 1.00 0.88 H new ATOM 0 HG SER B 44 -18.907 1.175 7.011 1.00 1.35 H new ATOM 681 N ASP B 45 -21.244 -1.879 6.577 1.00 0.91 N ATOM 682 CA ASP B 45 -22.648 -1.732 6.934 1.00 1.13 C ATOM 683 C ASP B 45 -22.869 -2.266 8.344 1.00 1.69 C ATOM 684 O ASP B 45 -21.951 -2.841 8.934 1.00 2.33 O ATOM 685 CB ASP B 45 -23.524 -2.486 5.927 1.00 1.52 C ATOM 686 CG ASP B 45 -25.002 -2.169 6.067 1.00 2.08 C ATOM 687 OD1 ASP B 45 -25.336 -1.084 6.593 1.00 2.25 O ATOM 688 OD2 ASP B 45 -25.831 -3.004 5.653 1.00 2.83 O ATOM 0 H ASP B 45 -20.785 -2.681 7.008 1.00 0.91 H new ATOM 0 HA ASP B 45 -22.925 -0.678 6.908 1.00 1.13 H new ATOM 0 HB2 ASP B 45 -23.200 -2.239 4.916 1.00 1.52 H new ATOM 0 HB3 ASP B 45 -23.375 -3.558 6.056 1.00 1.52 H new ATOM 693 N ASP B 46 -24.080 -2.077 8.863 1.00 2.19 N ATOM 694 CA ASP B 46 -24.449 -2.526 10.206 1.00 3.07 C ATOM 695 C ASP B 46 -23.598 -1.818 11.250 1.00 3.60 C ATOM 696 O ASP B 46 -23.059 -2.434 12.168 1.00 4.02 O ATOM 697 CB ASP B 46 -24.320 -4.049 10.339 1.00 3.37 C ATOM 698 CG ASP B 46 -25.216 -4.618 11.426 1.00 4.32 C ATOM 699 OD1 ASP B 46 -26.339 -4.100 11.608 1.00 4.58 O ATOM 700 OD2 ASP B 46 -24.806 -5.600 12.086 1.00 5.06 O ATOM 0 H ASP B 46 -24.836 -1.607 8.364 1.00 2.19 H new ATOM 0 HA ASP B 46 -25.495 -2.268 10.375 1.00 3.07 H new ATOM 0 HB2 ASP B 46 -24.570 -4.516 9.386 1.00 3.37 H new ATOM 0 HB3 ASP B 46 -23.283 -4.305 10.557 1.00 3.37 H new ATOM 705 N GLU B 47 -23.484 -0.509 11.091 1.00 4.00 N ATOM 706 CA GLU B 47 -22.714 0.316 12.005 1.00 4.87 C ATOM 707 C GLU B 47 -23.659 1.136 12.870 1.00 5.68 C ATOM 708 O GLU B 47 -24.633 1.689 12.312 1.00 5.83 O ATOM 709 CB GLU B 47 -21.772 1.248 11.232 1.00 5.14 C ATOM 710 CG GLU B 47 -20.736 0.527 10.379 1.00 5.00 C ATOM 711 CD GLU B 47 -19.731 1.483 9.761 1.00 5.71 C ATOM 712 OE1 GLU B 47 -18.983 2.136 10.517 1.00 6.00 O ATOM 713 OE2 GLU B 47 -19.684 1.592 8.516 1.00 6.25 O ATOM 0 H GLU B 47 -23.921 0.008 10.328 1.00 4.00 H new ATOM 0 HA GLU B 47 -22.110 -0.334 12.639 1.00 4.87 H new ATOM 0 HB2 GLU B 47 -22.368 1.895 10.589 1.00 5.14 H new ATOM 0 HB3 GLU B 47 -21.255 1.893 11.942 1.00 5.14 H new ATOM 0 HG2 GLU B 47 -20.209 -0.204 10.992 1.00 5.00 H new ATOM 0 HG3 GLU B 47 -21.242 -0.026 9.588 1.00 5.00 H new TER 720 GLU B 47 ATOM 721 N MET A 1 7.926 -19.160 -8.114 1.00 8.05 N ATOM 722 CA MET A 1 7.818 -17.899 -8.873 1.00 7.44 C ATOM 723 C MET A 1 8.813 -17.887 -10.022 1.00 6.81 C ATOM 724 O MET A 1 9.932 -18.388 -9.896 1.00 7.05 O ATOM 725 CB MET A 1 8.053 -16.694 -7.957 1.00 8.08 C ATOM 726 CG MET A 1 9.438 -16.658 -7.328 1.00 8.69 C ATOM 727 SD MET A 1 9.742 -15.142 -6.403 1.00 9.17 S ATOM 728 CE MET A 1 11.360 -15.496 -5.722 1.00 10.04 C ATOM 0 H1 MET A 1 7.771 -18.971 -7.103 1.00 8.05 H new ATOM 0 H2 MET A 1 7.210 -19.833 -8.455 1.00 8.05 H new ATOM 0 H3 MET A 1 8.874 -19.566 -8.249 1.00 8.05 H new ATOM 0 HA MET A 1 6.810 -17.830 -9.281 1.00 7.44 H new ATOM 0 HB2 MET A 1 7.901 -15.779 -8.530 1.00 8.08 H new ATOM 0 HB3 MET A 1 7.305 -16.701 -7.164 1.00 8.08 H new ATOM 0 HG2 MET A 1 9.553 -17.514 -6.663 1.00 8.69 H new ATOM 0 HG3 MET A 1 10.191 -16.759 -8.110 1.00 8.69 H new ATOM 0 HE1 MET A 1 11.702 -14.644 -5.134 1.00 10.04 H new ATOM 0 HE2 MET A 1 11.301 -16.378 -5.084 1.00 10.04 H new ATOM 0 HE3 MET A 1 12.064 -15.682 -6.533 1.00 10.04 H new ATOM 738 N GLY A 2 8.399 -17.308 -11.136 1.00 6.32 N ATOM 739 CA GLY A 2 9.250 -17.230 -12.304 1.00 6.04 C ATOM 740 C GLY A 2 8.820 -16.129 -13.252 1.00 5.13 C ATOM 741 O GLY A 2 9.646 -15.534 -13.939 1.00 5.17 O ATOM 0 H GLY A 2 7.478 -16.886 -11.253 1.00 6.32 H new ATOM 0 HA2 GLY A 2 10.279 -17.056 -11.991 1.00 6.04 H new ATOM 0 HA3 GLY A 2 9.234 -18.186 -12.828 1.00 6.04 H new ATOM 745 N GLY A 3 7.519 -15.862 -13.287 1.00 4.68 N ATOM 746 CA GLY A 3 7.000 -14.823 -14.153 1.00 4.10 C ATOM 747 C GLY A 3 6.865 -13.500 -13.434 1.00 3.67 C ATOM 748 O GLY A 3 7.826 -12.733 -13.338 1.00 4.03 O ATOM 0 H GLY A 3 6.815 -16.347 -12.730 1.00 4.68 H new ATOM 0 HA2 GLY A 3 7.661 -14.703 -15.011 1.00 4.10 H new ATOM 0 HA3 GLY A 3 6.027 -15.126 -14.540 1.00 4.10 H new ATOM 752 N ILE A 4 5.678 -13.238 -12.910 1.00 3.09 N ATOM 753 CA ILE A 4 5.411 -12.000 -12.190 1.00 2.96 C ATOM 754 C ILE A 4 4.296 -12.204 -11.167 1.00 2.05 C ATOM 755 O ILE A 4 3.199 -12.655 -11.504 1.00 2.23 O ATOM 756 CB ILE A 4 5.047 -10.843 -13.160 1.00 3.47 C ATOM 757 CG1 ILE A 4 4.647 -9.581 -12.376 1.00 3.57 C ATOM 758 CG2 ILE A 4 3.943 -11.259 -14.130 1.00 4.39 C ATOM 759 CD1 ILE A 4 4.357 -8.376 -13.252 1.00 4.16 C ATOM 0 H ILE A 4 4.879 -13.869 -12.970 1.00 3.09 H new ATOM 0 HA ILE A 4 6.325 -11.721 -11.665 1.00 2.96 H new ATOM 0 HB ILE A 4 5.933 -10.610 -13.751 1.00 3.47 H new ATOM 0 HG12 ILE A 4 3.764 -9.803 -11.777 1.00 3.57 H new ATOM 0 HG13 ILE A 4 5.448 -9.328 -11.681 1.00 3.57 H new ATOM 0 HG21 ILE A 4 3.711 -10.427 -14.795 1.00 4.39 H new ATOM 0 HG22 ILE A 4 4.279 -12.112 -14.719 1.00 4.39 H new ATOM 0 HG23 ILE A 4 3.050 -11.534 -13.569 1.00 4.39 H new ATOM 0 HD11 ILE A 4 4.082 -7.528 -12.625 1.00 4.16 H new ATOM 0 HD12 ILE A 4 5.245 -8.126 -13.832 1.00 4.16 H new ATOM 0 HD13 ILE A 4 3.535 -8.608 -13.929 1.00 4.16 H new ATOM 771 N SER A 5 4.592 -11.893 -9.913 1.00 1.57 N ATOM 772 CA SER A 5 3.625 -12.042 -8.840 1.00 1.01 C ATOM 773 C SER A 5 3.845 -10.977 -7.763 1.00 0.90 C ATOM 774 O SER A 5 4.764 -10.160 -7.872 1.00 0.96 O ATOM 775 CB SER A 5 3.733 -13.446 -8.241 1.00 1.64 C ATOM 776 OG SER A 5 5.067 -13.738 -7.859 1.00 2.02 O ATOM 0 H SER A 5 5.499 -11.534 -9.615 1.00 1.57 H new ATOM 0 HA SER A 5 2.622 -11.906 -9.246 1.00 1.01 H new ATOM 0 HB2 SER A 5 3.078 -13.526 -7.374 1.00 1.64 H new ATOM 0 HB3 SER A 5 3.391 -14.182 -8.968 1.00 1.64 H new ATOM 0 HG SER A 5 5.675 -13.509 -8.593 1.00 2.02 H new ATOM 782 N ILE A 6 3.011 -11.003 -6.722 1.00 0.84 N ATOM 783 CA ILE A 6 3.100 -10.042 -5.622 1.00 0.75 C ATOM 784 C ILE A 6 4.468 -10.102 -4.940 1.00 0.65 C ATOM 785 O ILE A 6 4.975 -9.090 -4.452 1.00 0.61 O ATOM 786 CB ILE A 6 1.996 -10.286 -4.565 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.616 -10.353 -5.228 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.010 -9.196 -3.498 1.00 0.79 C ATOM 789 CD1 ILE A 6 0.218 -9.074 -5.933 1.00 0.96 C ATOM 0 H ILE A 6 2.260 -11.686 -6.618 1.00 0.84 H new ATOM 0 HA ILE A 6 2.961 -9.053 -6.059 1.00 0.75 H new ATOM 0 HB ILE A 6 2.202 -11.243 -4.085 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.607 -11.172 -5.947 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.131 -10.587 -4.469 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.225 -9.391 -2.768 1.00 0.79 H new ATOM 0 HG22 ILE A 6 2.978 -9.190 -2.997 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.837 -8.227 -3.966 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -0.769 -9.196 -6.378 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.193 -8.255 -5.214 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.943 -8.849 -6.715 1.00 0.96 H new ATOM 801 N TRP A 7 5.066 -11.289 -4.932 1.00 0.64 N ATOM 802 CA TRP A 7 6.371 -11.496 -4.313 1.00 0.60 C ATOM 803 C TRP A 7 7.416 -10.577 -4.930 1.00 0.56 C ATOM 804 O TRP A 7 8.002 -9.735 -4.253 1.00 0.54 O ATOM 805 CB TRP A 7 6.812 -12.952 -4.487 1.00 0.67 C ATOM 806 CG TRP A 7 7.318 -13.576 -3.227 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.576 -14.210 -2.276 1.00 0.75 C ATOM 808 CD2 TRP A 7 8.676 -13.627 -2.777 1.00 0.65 C ATOM 809 NE1 TRP A 7 7.389 -14.663 -1.268 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.683 -14.317 -1.552 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.889 -13.164 -3.295 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.853 -14.548 -0.834 1.00 0.82 C ATOM 813 CZ3 TRP A 7 11.049 -13.391 -2.580 1.00 0.91 C ATOM 814 CH2 TRP A 7 11.025 -14.084 -1.363 1.00 0.92 C ATOM 0 H TRP A 7 4.664 -12.128 -5.350 1.00 0.64 H new ATOM 0 HA TRP A 7 6.281 -11.265 -3.252 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.971 -13.536 -4.860 1.00 0.67 H new ATOM 0 HB3 TRP A 7 7.593 -12.999 -5.245 1.00 0.67 H new ATOM 0 HD1 TRP A 7 5.504 -14.337 -2.311 1.00 0.75 H new ATOM 0 HE1 TRP A 7 7.080 -15.174 -0.441 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.919 -12.638 -4.238 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.835 -15.075 0.108 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.990 -13.028 -2.966 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.950 -14.255 -0.832 1.00 0.92 H new ATOM 825 N GLN A 8 7.605 -10.724 -6.232 1.00 0.57 N ATOM 826 CA GLN A 8 8.583 -9.932 -6.963 1.00 0.59 C ATOM 827 C GLN A 8 8.187 -8.457 -6.970 1.00 0.58 C ATOM 828 O GLN A 8 9.044 -7.574 -6.974 1.00 0.59 O ATOM 829 CB GLN A 8 8.716 -10.460 -8.393 1.00 0.68 C ATOM 830 CG GLN A 8 9.044 -11.946 -8.463 1.00 0.79 C ATOM 831 CD GLN A 8 8.348 -12.637 -9.615 1.00 1.06 C ATOM 832 OE1 GLN A 8 7.205 -13.084 -9.491 1.00 1.49 O ATOM 833 NE2 GLN A 8 9.035 -12.742 -10.738 1.00 1.50 N ATOM 0 H GLN A 8 7.090 -11.390 -6.808 1.00 0.57 H new ATOM 0 HA GLN A 8 9.548 -10.019 -6.464 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.784 -10.276 -8.928 1.00 0.68 H new ATOM 0 HB3 GLN A 8 9.496 -9.899 -8.908 1.00 0.68 H new ATOM 0 HG2 GLN A 8 10.122 -12.073 -8.565 1.00 0.79 H new ATOM 0 HG3 GLN A 8 8.754 -12.424 -7.527 1.00 0.79 H new ATOM 0 HE21 GLN A 8 9.978 -12.358 -10.797 1.00 1.50 H new ATOM 0 HE22 GLN A 8 8.623 -13.207 -11.547 1.00 1.50 H new ATOM 842 N LEU A 9 6.879 -8.205 -6.961 1.00 0.60 N ATOM 843 CA LEU A 9 6.353 -6.841 -6.950 1.00 0.65 C ATOM 844 C LEU A 9 6.789 -6.114 -5.684 1.00 0.58 C ATOM 845 O LEU A 9 7.139 -4.933 -5.718 1.00 0.59 O ATOM 846 CB LEU A 9 4.821 -6.859 -7.041 1.00 0.74 C ATOM 847 CG LEU A 9 4.227 -6.451 -8.398 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.343 -4.949 -8.606 1.00 0.95 C ATOM 849 CD2 LEU A 9 4.912 -7.198 -9.535 1.00 1.02 C ATOM 0 H LEU A 9 6.162 -8.930 -6.961 1.00 0.60 H new ATOM 0 HA LEU A 9 6.752 -6.312 -7.815 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.473 -7.864 -6.801 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.423 -6.193 -6.276 1.00 0.74 H new ATOM 0 HG LEU A 9 3.171 -6.719 -8.398 1.00 0.94 H new ATOM 0 HD11 LEU A 9 3.916 -4.682 -9.573 1.00 0.95 H new ATOM 0 HD12 LEU A 9 3.803 -4.429 -7.815 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.393 -4.658 -8.580 1.00 0.95 H new ATOM 0 HD21 LEU A 9 4.475 -6.893 -10.486 1.00 1.02 H new ATOM 0 HD22 LEU A 9 5.977 -6.965 -9.534 1.00 1.02 H new ATOM 0 HD23 LEU A 9 4.775 -8.271 -9.400 1.00 1.02 H new ATOM 861 N LEU A 10 6.773 -6.832 -4.564 1.00 0.52 N ATOM 862 CA LEU A 10 7.172 -6.263 -3.285 1.00 0.46 C ATOM 863 C LEU A 10 8.656 -5.916 -3.305 1.00 0.41 C ATOM 864 O LEU A 10 9.058 -4.862 -2.825 1.00 0.38 O ATOM 865 CB LEU A 10 6.889 -7.245 -2.148 1.00 0.45 C ATOM 866 CG LEU A 10 6.293 -6.636 -0.872 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.869 -7.323 0.349 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.537 -5.136 -0.783 1.00 0.43 C ATOM 0 H LEU A 10 6.487 -7.810 -4.519 1.00 0.52 H new ATOM 0 HA LEU A 10 6.592 -5.355 -3.118 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.206 -8.010 -2.516 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.820 -7.748 -1.887 1.00 0.45 H new ATOM 0 HG LEU A 10 5.215 -6.793 -0.910 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.440 -6.884 1.250 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.631 -8.386 0.315 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.951 -7.194 0.362 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.097 -4.750 0.136 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.609 -4.941 -0.782 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.079 -4.641 -1.640 1.00 0.43 H new ATOM 880 N ILE A 11 9.463 -6.807 -3.874 1.00 0.41 N ATOM 881 CA ILE A 11 10.904 -6.587 -3.956 1.00 0.39 C ATOM 882 C ILE A 11 11.205 -5.274 -4.683 1.00 0.40 C ATOM 883 O ILE A 11 11.984 -4.459 -4.194 1.00 0.38 O ATOM 884 CB ILE A 11 11.629 -7.773 -4.649 1.00 0.44 C ATOM 885 CG1 ILE A 11 12.037 -8.827 -3.621 1.00 0.48 C ATOM 886 CG2 ILE A 11 12.854 -7.314 -5.425 1.00 0.64 C ATOM 887 CD1 ILE A 11 10.902 -9.723 -3.188 1.00 0.99 C ATOM 0 H ILE A 11 9.145 -7.685 -4.284 1.00 0.41 H new ATOM 0 HA ILE A 11 11.285 -6.520 -2.937 1.00 0.39 H new ATOM 0 HB ILE A 11 10.925 -8.210 -5.357 1.00 0.44 H new ATOM 0 HG12 ILE A 11 12.834 -9.441 -4.040 1.00 0.48 H new ATOM 0 HG13 ILE A 11 12.448 -8.327 -2.744 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.331 -8.175 -5.894 1.00 0.64 H new ATOM 0 HG22 ILE A 11 12.552 -6.603 -6.194 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.558 -6.835 -4.744 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.267 -10.445 -2.458 1.00 0.99 H new ATOM 0 HD12 ILE A 11 10.113 -9.120 -2.738 1.00 0.99 H new ATOM 0 HD13 ILE A 11 10.505 -10.252 -4.055 1.00 0.99 H new ATOM 899 N ILE A 12 10.565 -5.061 -5.827 1.00 0.45 N ATOM 900 CA ILE A 12 10.777 -3.837 -6.593 1.00 0.46 C ATOM 901 C ILE A 12 10.273 -2.625 -5.811 1.00 0.44 C ATOM 902 O ILE A 12 10.889 -1.556 -5.838 1.00 0.44 O ATOM 903 CB ILE A 12 10.088 -3.897 -7.974 1.00 0.53 C ATOM 904 CG1 ILE A 12 10.414 -5.226 -8.664 1.00 0.54 C ATOM 905 CG2 ILE A 12 10.527 -2.724 -8.840 1.00 0.58 C ATOM 906 CD1 ILE A 12 9.637 -5.462 -9.943 1.00 0.61 C ATOM 0 H ILE A 12 9.900 -5.713 -6.243 1.00 0.45 H new ATOM 0 HA ILE A 12 11.850 -3.739 -6.759 1.00 0.46 H new ATOM 0 HB ILE A 12 9.009 -3.831 -7.832 1.00 0.53 H new ATOM 0 HG12 ILE A 12 11.480 -5.256 -8.888 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.211 -6.043 -7.971 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.032 -2.782 -9.809 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.257 -1.789 -8.350 1.00 0.58 H new ATOM 0 HG23 ILE A 12 11.607 -2.760 -8.982 1.00 0.58 H new ATOM 0 HD11 ILE A 12 9.924 -6.423 -10.371 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.569 -5.466 -9.724 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.858 -4.667 -10.655 1.00 0.61 H new ATOM 918 N ALA A 13 9.159 -2.807 -5.103 1.00 0.44 N ATOM 919 CA ALA A 13 8.579 -1.748 -4.279 1.00 0.45 C ATOM 920 C ALA A 13 9.559 -1.319 -3.200 1.00 0.39 C ATOM 921 O ALA A 13 9.834 -0.137 -3.012 1.00 0.41 O ATOM 922 CB ALA A 13 7.301 -2.237 -3.608 1.00 0.49 C ATOM 0 H ALA A 13 8.638 -3.684 -5.084 1.00 0.44 H new ATOM 0 HA ALA A 13 8.354 -0.903 -4.929 1.00 0.45 H new ATOM 0 HB1 ALA A 13 6.881 -1.437 -2.998 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.579 -2.529 -4.370 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.528 -3.095 -2.975 1.00 0.49 H new ATOM 928 N VAL A 14 10.081 -2.319 -2.521 1.00 0.34 N ATOM 929 CA VAL A 14 11.025 -2.151 -1.433 1.00 0.29 C ATOM 930 C VAL A 14 12.287 -1.411 -1.874 1.00 0.29 C ATOM 931 O VAL A 14 12.762 -0.514 -1.177 1.00 0.31 O ATOM 932 CB VAL A 14 11.351 -3.549 -0.850 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.601 -3.560 0.019 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.145 -4.050 -0.067 1.00 0.27 C ATOM 0 H VAL A 14 9.856 -3.295 -2.714 1.00 0.34 H new ATOM 0 HA VAL A 14 10.575 -1.528 -0.660 1.00 0.29 H new ATOM 0 HB VAL A 14 11.565 -4.216 -1.685 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.773 -4.568 0.396 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.459 -3.243 -0.574 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.467 -2.877 0.858 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.364 -5.034 0.348 1.00 0.27 H new ATOM 0 HG22 VAL A 14 9.923 -3.356 0.743 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.283 -4.120 -0.731 1.00 0.27 H new ATOM 944 N ILE A 15 12.808 -1.753 -3.042 1.00 0.30 N ATOM 945 CA ILE A 15 14.014 -1.102 -3.546 1.00 0.32 C ATOM 946 C ILE A 15 13.722 0.324 -4.023 1.00 0.33 C ATOM 947 O ILE A 15 14.542 1.228 -3.851 1.00 0.34 O ATOM 948 CB ILE A 15 14.654 -1.897 -4.702 1.00 0.37 C ATOM 949 CG1 ILE A 15 14.897 -3.349 -4.291 1.00 0.36 C ATOM 950 CG2 ILE A 15 15.963 -1.243 -5.110 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.349 -4.237 -5.431 1.00 0.42 C ATOM 0 H ILE A 15 12.422 -2.470 -3.656 1.00 0.30 H new ATOM 0 HA ILE A 15 14.715 -1.067 -2.712 1.00 0.32 H new ATOM 0 HB ILE A 15 13.969 -1.893 -5.550 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.650 -3.373 -3.503 1.00 0.36 H new ATOM 0 HG13 ILE A 15 13.979 -3.756 -3.867 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.413 -1.807 -5.927 1.00 0.41 H new ATOM 0 HG22 ILE A 15 15.773 -0.221 -5.437 1.00 0.41 H new ATOM 0 HG23 ILE A 15 16.644 -1.231 -4.259 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.501 -5.252 -5.063 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.587 -4.244 -6.211 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.284 -3.855 -5.841 1.00 0.42 H new ATOM 963 N VAL A 16 12.544 0.523 -4.597 1.00 0.35 N ATOM 964 CA VAL A 16 12.141 1.827 -5.122 1.00 0.38 C ATOM 965 C VAL A 16 12.190 2.930 -4.053 1.00 0.36 C ATOM 966 O VAL A 16 12.512 4.084 -4.353 1.00 0.38 O ATOM 967 CB VAL A 16 10.723 1.742 -5.756 1.00 0.44 C ATOM 968 CG1 VAL A 16 9.795 2.843 -5.258 1.00 0.51 C ATOM 969 CG2 VAL A 16 10.827 1.775 -7.273 1.00 0.47 C ATOM 0 H VAL A 16 11.842 -0.208 -4.713 1.00 0.35 H new ATOM 0 HA VAL A 16 12.861 2.100 -5.893 1.00 0.38 H new ATOM 0 HB VAL A 16 10.283 0.795 -5.444 1.00 0.44 H new ATOM 0 HG11 VAL A 16 8.819 2.738 -5.731 1.00 0.51 H new ATOM 0 HG12 VAL A 16 9.684 2.764 -4.177 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.217 3.816 -5.509 1.00 0.51 H new ATOM 0 HG21 VAL A 16 9.829 1.715 -7.707 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.303 2.704 -7.585 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.423 0.929 -7.615 1.00 0.47 H new ATOM 979 N VAL A 17 11.918 2.566 -2.807 1.00 0.33 N ATOM 980 CA VAL A 17 11.901 3.537 -1.716 1.00 0.33 C ATOM 981 C VAL A 17 13.277 4.159 -1.454 1.00 0.33 C ATOM 982 O VAL A 17 13.371 5.359 -1.182 1.00 0.37 O ATOM 983 CB VAL A 17 11.343 2.936 -0.419 1.00 0.33 C ATOM 984 CG1 VAL A 17 10.829 4.031 0.503 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.252 1.913 -0.699 1.00 0.35 C ATOM 0 H VAL A 17 11.706 1.609 -2.525 1.00 0.33 H new ATOM 0 HA VAL A 17 11.233 4.333 -2.045 1.00 0.33 H new ATOM 0 HB VAL A 17 12.160 2.417 0.081 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.438 3.583 1.417 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.645 4.710 0.752 1.00 0.36 H new ATOM 0 HG13 VAL A 17 10.036 4.586 0.002 1.00 0.36 H new ATOM 0 HG21 VAL A 17 9.881 1.509 0.243 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.433 2.392 -1.236 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.659 1.104 -1.305 1.00 0.35 H new ATOM 995 N LEU A 18 14.344 3.374 -1.560 1.00 0.31 N ATOM 996 CA LEU A 18 15.682 3.910 -1.320 1.00 0.34 C ATOM 997 C LEU A 18 16.212 4.600 -2.564 1.00 0.36 C ATOM 998 O LEU A 18 17.069 5.480 -2.478 1.00 0.40 O ATOM 999 CB LEU A 18 16.674 2.830 -0.868 1.00 0.34 C ATOM 1000 CG LEU A 18 16.663 1.529 -1.668 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.081 1.067 -1.927 1.00 0.39 C ATOM 1002 CD2 LEU A 18 15.901 0.450 -0.923 1.00 0.30 C ATOM 0 H LEU A 18 14.313 2.384 -1.805 1.00 0.31 H new ATOM 0 HA LEU A 18 15.588 4.634 -0.510 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.679 3.249 -0.909 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.470 2.592 0.176 1.00 0.34 H new ATOM 0 HG LEU A 18 16.165 1.715 -2.620 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.063 0.139 -2.498 1.00 0.39 H new ATOM 0 HD12 LEU A 18 18.615 1.831 -2.493 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.588 0.899 -0.977 1.00 0.39 H new ATOM 0 HD21 LEU A 18 15.905 -0.469 -1.509 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.377 0.268 0.040 1.00 0.30 H new ATOM 0 HD23 LEU A 18 14.873 0.775 -0.764 1.00 0.30 H new ATOM 1014 N LEU A 19 15.688 4.205 -3.719 1.00 0.36 N ATOM 1015 CA LEU A 19 16.106 4.785 -4.989 1.00 0.40 C ATOM 1016 C LEU A 19 15.792 6.274 -5.041 1.00 0.41 C ATOM 1017 O LEU A 19 16.589 7.071 -5.534 1.00 0.45 O ATOM 1018 CB LEU A 19 15.420 4.074 -6.160 1.00 0.41 C ATOM 1019 CG LEU A 19 15.835 2.621 -6.380 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.511 2.191 -7.801 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.314 2.427 -6.075 1.00 0.47 C ATOM 0 H LEU A 19 14.971 3.484 -3.801 1.00 0.36 H new ATOM 0 HA LEU A 19 17.185 4.652 -5.073 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.342 4.106 -6.001 1.00 0.41 H new ATOM 0 HB3 LEU A 19 15.624 4.634 -7.073 1.00 0.41 H new ATOM 0 HG LEU A 19 15.269 1.992 -5.693 1.00 0.44 H new ATOM 0 HD11 LEU A 19 15.812 1.153 -7.945 1.00 0.47 H new ATOM 0 HD12 LEU A 19 14.439 2.285 -7.974 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.049 2.826 -8.505 1.00 0.47 H new ATOM 0 HD21 LEU A 19 17.586 1.384 -6.239 1.00 0.47 H new ATOM 0 HD22 LEU A 19 17.907 3.064 -6.731 1.00 0.47 H new ATOM 0 HD23 LEU A 19 17.509 2.694 -5.036 1.00 0.47 H new ATOM 1033 N PHE A 20 14.637 6.649 -4.511 1.00 0.40 N ATOM 1034 CA PHE A 20 14.225 8.046 -4.516 1.00 0.44 C ATOM 1035 C PHE A 20 14.495 8.708 -3.169 1.00 0.47 C ATOM 1036 O PHE A 20 14.039 9.824 -2.919 1.00 0.51 O ATOM 1037 CB PHE A 20 12.744 8.156 -4.895 1.00 0.45 C ATOM 1038 CG PHE A 20 12.388 7.374 -6.129 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.123 7.525 -7.294 1.00 1.07 C ATOM 1040 CD2 PHE A 20 11.333 6.475 -6.120 1.00 1.06 C ATOM 1041 CE1 PHE A 20 12.812 6.798 -8.427 1.00 1.05 C ATOM 1042 CE2 PHE A 20 11.018 5.744 -7.250 1.00 1.12 C ATOM 1043 CZ PHE A 20 11.758 5.905 -8.405 1.00 0.53 C ATOM 0 H PHE A 20 13.972 6.011 -4.075 1.00 0.40 H new ATOM 0 HA PHE A 20 14.816 8.575 -5.263 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.135 7.804 -4.062 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.493 9.205 -5.053 1.00 0.45 H new ATOM 0 HD1 PHE A 20 13.949 8.220 -7.317 1.00 1.07 H new ATOM 0 HD2 PHE A 20 10.751 6.344 -5.220 1.00 1.06 H new ATOM 0 HE1 PHE A 20 13.392 6.928 -9.329 1.00 1.05 H new ATOM 0 HE2 PHE A 20 10.193 5.047 -7.230 1.00 1.12 H new ATOM 0 HZ PHE A 20 11.513 5.334 -9.289 1.00 0.53 H new ATOM 1053 N GLY A 21 15.245 8.011 -2.312 1.00 0.49 N ATOM 1054 CA GLY A 21 15.592 8.530 -0.997 1.00 0.55 C ATOM 1055 C GLY A 21 14.393 9.021 -0.205 1.00 0.56 C ATOM 1056 O GLY A 21 14.447 10.088 0.403 1.00 0.65 O ATOM 0 H GLY A 21 15.622 7.084 -2.511 1.00 0.49 H new ATOM 0 HA2 GLY A 21 16.098 7.749 -0.429 1.00 0.55 H new ATOM 0 HA3 GLY A 21 16.301 9.350 -1.114 1.00 0.55 H new ATOM 1060 N THR A 22 13.327 8.222 -0.185 1.00 0.54 N ATOM 1061 CA THR A 22 12.091 8.563 0.527 1.00 0.61 C ATOM 1062 C THR A 22 11.629 9.995 0.238 1.00 0.71 C ATOM 1063 O THR A 22 11.566 10.839 1.137 1.00 1.26 O ATOM 1064 CB THR A 22 12.221 8.367 2.054 1.00 0.71 C ATOM 1065 OG1 THR A 22 13.589 8.446 2.470 1.00 1.46 O ATOM 1066 CG2 THR A 22 11.640 7.031 2.473 1.00 0.60 C ATOM 0 H THR A 22 13.293 7.320 -0.661 1.00 0.54 H new ATOM 0 HA THR A 22 11.339 7.871 0.149 1.00 0.61 H new ATOM 0 HB THR A 22 11.662 9.168 2.537 1.00 0.71 H new ATOM 0 HG1 THR A 22 13.644 8.320 3.440 1.00 1.46 H new ATOM 0 HG21 THR A 22 11.741 6.912 3.552 1.00 0.60 H new ATOM 0 HG22 THR A 22 10.585 6.992 2.201 1.00 0.60 H new ATOM 0 HG23 THR A 22 12.175 6.227 1.968 1.00 0.60 H new ATOM 1074 N LYS A 23 11.315 10.263 -1.021 1.00 0.38 N ATOM 1075 CA LYS A 23 10.856 11.586 -1.430 1.00 0.45 C ATOM 1076 C LYS A 23 9.553 11.481 -2.214 1.00 0.47 C ATOM 1077 O LYS A 23 8.503 11.916 -1.746 1.00 0.81 O ATOM 1078 CB LYS A 23 11.928 12.277 -2.279 1.00 0.49 C ATOM 1079 CG LYS A 23 13.159 12.690 -1.486 1.00 0.56 C ATOM 1080 CD LYS A 23 14.246 13.266 -2.386 1.00 0.77 C ATOM 1081 CE LYS A 23 13.827 14.585 -3.019 1.00 0.99 C ATOM 1082 NZ LYS A 23 14.824 15.054 -4.018 1.00 1.33 N ATOM 0 H LYS A 23 11.369 9.583 -1.779 1.00 0.38 H new ATOM 0 HA LYS A 23 10.675 12.182 -0.535 1.00 0.45 H new ATOM 0 HB2 LYS A 23 12.232 11.606 -3.083 1.00 0.49 H new ATOM 0 HB3 LYS A 23 11.495 13.160 -2.748 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.877 13.430 -0.737 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.552 11.827 -0.949 1.00 0.56 H new ATOM 0 HD2 LYS A 23 15.155 13.417 -1.804 1.00 0.77 H new ATOM 0 HD3 LYS A 23 14.485 12.548 -3.170 1.00 0.77 H new ATOM 0 HE2 LYS A 23 12.857 14.466 -3.501 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.707 15.340 -2.242 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 14.506 15.955 -4.429 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.744 15.191 -3.552 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 14.920 14.344 -4.772 1.00 1.33 H new ATOM 1096 N LYS A 24 9.635 10.880 -3.398 1.00 0.42 N ATOM 1097 CA LYS A 24 8.476 10.707 -4.278 1.00 0.45 C ATOM 1098 C LYS A 24 7.297 10.057 -3.559 1.00 0.47 C ATOM 1099 O LYS A 24 6.167 10.540 -3.646 1.00 0.77 O ATOM 1100 CB LYS A 24 8.860 9.848 -5.484 1.00 0.50 C ATOM 1101 CG LYS A 24 9.920 10.478 -6.379 1.00 0.58 C ATOM 1102 CD LYS A 24 9.316 11.501 -7.337 1.00 0.73 C ATOM 1103 CE LYS A 24 8.590 10.833 -8.498 1.00 1.14 C ATOM 1104 NZ LYS A 24 7.983 11.835 -9.413 1.00 1.36 N ATOM 0 H LYS A 24 10.502 10.499 -3.776 1.00 0.42 H new ATOM 0 HA LYS A 24 8.168 11.701 -4.602 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.224 8.884 -5.129 1.00 0.50 H new ATOM 0 HB3 LYS A 24 7.967 9.653 -6.078 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.677 10.961 -5.761 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.424 9.698 -6.950 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.620 12.141 -6.794 1.00 0.73 H new ATOM 0 HD3 LYS A 24 10.105 12.145 -7.725 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.289 10.208 -9.054 1.00 1.14 H new ATOM 0 HE3 LYS A 24 7.812 10.175 -8.111 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 7.497 11.345 -10.191 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 7.298 12.415 -8.888 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 8.729 12.447 -9.801 1.00 1.36 H new ATOM 1118 N LEU A 25 7.581 8.961 -2.854 1.00 0.40 N ATOM 1119 CA LEU A 25 6.565 8.203 -2.122 1.00 0.41 C ATOM 1120 C LEU A 25 5.704 9.102 -1.243 1.00 0.36 C ATOM 1121 O LEU A 25 4.477 9.019 -1.277 1.00 0.42 O ATOM 1122 CB LEU A 25 7.224 7.130 -1.235 1.00 0.50 C ATOM 1123 CG LEU A 25 8.045 6.062 -1.963 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.528 6.388 -1.871 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.769 4.687 -1.369 1.00 0.43 C ATOM 0 H LEU A 25 8.521 8.574 -2.774 1.00 0.40 H new ATOM 0 HA LEU A 25 5.927 7.732 -2.870 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.873 7.631 -0.517 1.00 0.50 H new ATOM 0 HB3 LEU A 25 6.442 6.630 -0.663 1.00 0.50 H new ATOM 0 HG LEU A 25 7.753 6.052 -3.013 1.00 0.41 H new ATOM 0 HD11 LEU A 25 10.102 5.622 -2.392 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.716 7.358 -2.331 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.830 6.418 -0.824 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.359 3.938 -1.896 1.00 0.43 H new ATOM 0 HD22 LEU A 25 8.040 4.686 -0.313 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.710 4.452 -1.472 1.00 0.43 H new ATOM 1137 N GLY A 26 6.360 9.978 -0.489 1.00 0.39 N ATOM 1138 CA GLY A 26 5.669 10.867 0.430 1.00 0.48 C ATOM 1139 C GLY A 26 4.548 11.666 -0.200 1.00 0.46 C ATOM 1140 O GLY A 26 3.515 11.891 0.432 1.00 0.69 O ATOM 0 H GLY A 26 7.374 10.089 -0.499 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.262 10.277 1.251 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.393 11.558 0.862 1.00 0.48 H new ATOM 1144 N SER A 27 4.731 12.084 -1.439 1.00 0.37 N ATOM 1145 CA SER A 27 3.719 12.885 -2.097 1.00 0.40 C ATOM 1146 C SER A 27 2.802 12.056 -2.996 1.00 0.41 C ATOM 1147 O SER A 27 1.579 12.174 -2.908 1.00 0.45 O ATOM 1148 CB SER A 27 4.394 13.998 -2.900 1.00 0.49 C ATOM 1149 OG SER A 27 5.757 14.136 -2.528 1.00 0.78 O ATOM 0 H SER A 27 5.558 11.885 -2.002 1.00 0.37 H new ATOM 0 HA SER A 27 3.085 13.317 -1.323 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.324 13.777 -3.965 1.00 0.49 H new ATOM 0 HB3 SER A 27 3.871 14.940 -2.735 1.00 0.49 H new ATOM 0 HG SER A 27 6.169 14.852 -3.055 1.00 0.78 H new ATOM 1155 N ILE A 28 3.379 11.201 -3.846 1.00 0.44 N ATOM 1156 CA ILE A 28 2.573 10.389 -4.759 1.00 0.52 C ATOM 1157 C ILE A 28 1.633 9.462 -3.995 1.00 0.51 C ATOM 1158 O ILE A 28 0.568 9.098 -4.490 1.00 0.55 O ATOM 1159 CB ILE A 28 3.432 9.548 -5.737 1.00 0.65 C ATOM 1160 CG1 ILE A 28 4.227 8.467 -4.998 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.375 10.443 -6.531 1.00 0.85 C ATOM 1162 CD1 ILE A 28 4.852 7.438 -5.917 1.00 1.52 C ATOM 0 H ILE A 28 4.386 11.055 -3.920 1.00 0.44 H new ATOM 0 HA ILE A 28 1.991 11.099 -5.347 1.00 0.52 H new ATOM 0 HB ILE A 28 2.751 9.052 -6.428 1.00 0.65 H new ATOM 0 HG12 ILE A 28 5.013 8.943 -4.412 1.00 1.36 H new ATOM 0 HG13 ILE A 28 3.567 7.960 -4.294 1.00 1.36 H new ATOM 0 HG21 ILE A 28 4.969 9.833 -7.212 1.00 0.85 H new ATOM 0 HG22 ILE A 28 3.794 11.166 -7.104 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.038 10.972 -5.846 1.00 0.85 H new ATOM 0 HD11 ILE A 28 5.399 6.705 -5.324 1.00 1.52 H new ATOM 0 HD12 ILE A 28 4.070 6.935 -6.485 1.00 1.52 H new ATOM 0 HD13 ILE A 28 5.538 7.933 -6.604 1.00 1.52 H new ATOM 1174 N GLY A 29 2.031 9.095 -2.787 1.00 0.50 N ATOM 1175 CA GLY A 29 1.214 8.225 -1.972 1.00 0.52 C ATOM 1176 C GLY A 29 0.030 8.959 -1.374 1.00 0.46 C ATOM 1177 O GLY A 29 -1.058 8.411 -1.269 1.00 0.51 O ATOM 0 H GLY A 29 2.909 9.386 -2.356 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.857 7.391 -2.576 1.00 0.52 H new ATOM 0 HA3 GLY A 29 1.821 7.802 -1.172 1.00 0.52 H new ATOM 1181 N SER A 30 0.245 10.210 -1.002 1.00 0.41 N ATOM 1182 CA SER A 30 -0.804 11.024 -0.406 1.00 0.41 C ATOM 1183 C SER A 30 -1.844 11.430 -1.451 1.00 0.39 C ATOM 1184 O SER A 30 -3.050 11.265 -1.233 1.00 0.42 O ATOM 1185 CB SER A 30 -0.185 12.267 0.242 1.00 0.43 C ATOM 1186 OG SER A 30 -1.179 13.189 0.656 1.00 0.95 O ATOM 0 H SER A 30 1.141 10.687 -1.103 1.00 0.41 H new ATOM 0 HA SER A 30 -1.311 10.434 0.358 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.416 11.969 1.101 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.488 12.750 -0.466 1.00 0.43 H new ATOM 0 HG SER A 30 -1.445 12.991 1.578 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.372 11.942 -2.586 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.260 12.369 -3.666 1.00 0.42 C ATOM 1194 C ASP A 31 -3.103 11.202 -4.163 1.00 0.41 C ATOM 1195 O ASP A 31 -4.322 11.317 -4.309 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.462 12.978 -4.819 1.00 0.47 C ATOM 1197 CG ASP A 31 -1.191 14.457 -4.612 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.144 15.257 -4.713 1.00 1.29 O ATOM 1199 OD2 ASP A 31 -0.026 14.816 -4.351 1.00 1.28 O ATOM 0 H ASP A 31 -0.379 12.071 -2.782 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.928 13.134 -3.270 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.515 12.448 -4.923 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -2.009 12.838 -5.751 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.454 10.073 -4.415 1.00 0.39 N ATOM 1205 CA LEU A 32 -3.160 8.885 -4.876 1.00 0.41 C ATOM 1206 C LEU A 32 -3.952 8.280 -3.730 1.00 0.38 C ATOM 1207 O LEU A 32 -4.954 7.601 -3.940 1.00 0.40 O ATOM 1208 CB LEU A 32 -2.183 7.850 -5.447 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.787 8.084 -6.904 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.671 7.143 -7.329 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -2.992 7.917 -7.817 1.00 1.28 C ATOM 0 H LEU A 32 -1.446 9.955 -4.309 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.844 9.179 -5.672 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.281 7.846 -4.835 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.631 6.860 -5.361 1.00 0.44 H new ATOM 0 HG LEU A 32 -1.419 9.106 -6.990 1.00 0.64 H new ATOM 0 HD11 LEU A 32 -0.411 7.334 -8.370 1.00 1.09 H new ATOM 0 HD12 LEU A 32 0.204 7.309 -6.700 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -1.005 6.111 -7.221 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -2.692 8.087 -8.851 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -3.388 6.906 -7.716 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -3.761 8.637 -7.539 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.491 8.544 -2.515 1.00 0.37 N ATOM 1224 CA GLY A 33 -4.149 8.044 -1.330 1.00 0.38 C ATOM 1225 C GLY A 33 -5.559 8.552 -1.199 1.00 0.35 C ATOM 1226 O GLY A 33 -6.499 7.775 -1.078 1.00 0.37 O ATOM 0 H GLY A 33 -2.659 9.105 -2.331 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.159 6.954 -1.356 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.577 8.337 -0.449 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.709 9.861 -1.250 1.00 0.35 N ATOM 1231 CA ALA A 34 -7.020 10.475 -1.136 1.00 0.37 C ATOM 1232 C ALA A 34 -7.879 10.133 -2.350 1.00 0.37 C ATOM 1233 O ALA A 34 -9.107 10.186 -2.297 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.872 11.969 -0.950 1.00 0.41 C ATOM 0 H ALA A 34 -4.940 10.521 -1.370 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.531 10.077 -0.259 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.859 12.425 -0.865 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -6.301 12.168 -0.043 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -6.349 12.392 -1.808 1.00 0.41 H new ATOM 1240 N SER A 35 -7.226 9.756 -3.441 1.00 0.33 N ATOM 1241 CA SER A 35 -7.930 9.365 -4.650 1.00 0.35 C ATOM 1242 C SER A 35 -8.361 7.903 -4.533 1.00 0.34 C ATOM 1243 O SER A 35 -9.315 7.466 -5.176 1.00 0.38 O ATOM 1244 CB SER A 35 -7.040 9.572 -5.879 1.00 0.38 C ATOM 1245 OG SER A 35 -6.536 10.897 -5.917 1.00 0.41 O ATOM 0 H SER A 35 -6.209 9.713 -3.511 1.00 0.33 H new ATOM 0 HA SER A 35 -8.816 9.989 -4.770 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.212 8.863 -5.858 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.610 9.369 -6.785 1.00 0.38 H new ATOM 0 HG SER A 35 -5.758 10.968 -5.325 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.658 7.165 -3.675 1.00 0.35 N ATOM 1252 CA ILE A 36 -7.946 5.756 -3.443 1.00 0.39 C ATOM 1253 C ILE A 36 -9.297 5.603 -2.749 1.00 0.33 C ATOM 1254 O ILE A 36 -10.021 4.634 -2.976 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.816 5.070 -2.611 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.396 3.752 -3.272 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -7.233 4.825 -1.157 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -5.662 3.938 -4.582 1.00 0.94 C ATOM 0 H ILE A 36 -6.878 7.527 -3.126 1.00 0.35 H new ATOM 0 HA ILE A 36 -7.988 5.256 -4.411 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.967 5.753 -2.593 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -5.759 3.197 -2.584 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.283 3.143 -3.446 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.414 4.346 -0.619 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -7.472 5.776 -0.682 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -8.110 4.178 -1.134 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -5.396 2.964 -4.992 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -6.304 4.465 -5.287 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -4.756 4.520 -4.412 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.646 6.590 -1.933 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.905 6.570 -1.214 1.00 0.34 C ATOM 1272 C LYS A 37 -12.007 7.199 -2.052 1.00 0.31 C ATOM 1273 O LYS A 37 -13.175 7.192 -1.672 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.774 7.298 0.125 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.558 8.797 -0.011 1.00 0.39 C ATOM 1276 CD LYS A 37 -10.565 9.486 1.340 1.00 0.47 C ATOM 1277 CE LYS A 37 -10.522 10.996 1.188 1.00 0.51 C ATOM 1278 NZ LYS A 37 -10.791 11.692 2.469 1.00 0.68 N ATOM 0 H LYS A 37 -9.071 7.414 -1.755 1.00 0.31 H new ATOM 0 HA LYS A 37 -11.169 5.531 -1.017 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.674 7.122 0.714 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.941 6.869 0.681 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.608 8.985 -0.511 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.339 9.222 -0.641 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -11.460 9.199 1.893 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -9.708 9.152 1.925 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -9.543 11.295 0.812 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -11.257 11.307 0.446 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -10.752 12.721 2.320 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -11.735 11.428 2.816 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -10.075 11.416 3.171 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.623 7.756 -3.190 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.586 8.388 -4.062 1.00 0.32 C ATOM 1294 C GLY A 38 -13.155 7.433 -5.089 1.00 0.31 C ATOM 1295 O GLY A 38 -14.370 7.349 -5.261 1.00 0.34 O ATOM 0 H GLY A 38 -10.660 7.781 -3.524 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.399 8.798 -3.463 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.113 9.226 -4.573 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.282 6.688 -5.755 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.722 5.751 -6.782 1.00 0.45 C ATOM 1301 C PHE A 39 -13.394 4.522 -6.163 1.00 0.35 C ATOM 1302 O PHE A 39 -14.328 3.966 -6.740 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.551 5.346 -7.703 1.00 0.64 C ATOM 1304 CG PHE A 39 -10.807 4.105 -7.285 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -9.804 4.174 -6.333 1.00 1.01 C ATOM 1306 CD2 PHE A 39 -11.103 2.876 -7.856 1.00 0.93 C ATOM 1307 CE1 PHE A 39 -9.115 3.040 -5.952 1.00 1.39 C ATOM 1308 CE2 PHE A 39 -10.416 1.738 -7.479 1.00 1.30 C ATOM 1309 CZ PHE A 39 -9.421 1.820 -6.527 1.00 1.48 C ATOM 0 H PHE A 39 -11.273 6.713 -5.605 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.467 6.257 -7.396 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.937 5.197 -8.711 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.845 6.175 -7.752 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -9.558 5.125 -5.884 1.00 1.01 H new ATOM 0 HD2 PHE A 39 -11.879 2.808 -8.604 1.00 0.93 H new ATOM 0 HE1 PHE A 39 -8.337 3.106 -5.205 1.00 1.39 H new ATOM 0 HE2 PHE A 39 -10.657 0.786 -7.929 1.00 1.30 H new ATOM 0 HZ PHE A 39 -8.882 0.932 -6.231 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.944 4.110 -4.980 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.525 2.947 -4.320 1.00 0.30 C ATOM 1321 C LYS A 40 -14.785 3.327 -3.571 1.00 0.32 C ATOM 1322 O LYS A 40 -15.542 2.466 -3.131 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.524 2.304 -3.371 1.00 0.41 C ATOM 1324 CG LYS A 40 -12.658 0.797 -3.298 1.00 0.86 C ATOM 1325 CD LYS A 40 -11.389 0.108 -3.764 1.00 0.94 C ATOM 1326 CE LYS A 40 -11.402 -1.368 -3.421 1.00 1.41 C ATOM 1327 NZ LYS A 40 -10.483 -2.144 -4.291 1.00 1.48 N ATOM 0 H LYS A 40 -12.187 4.559 -4.465 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.785 2.222 -5.091 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.514 2.558 -3.692 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.657 2.723 -2.374 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -12.881 0.499 -2.274 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -13.497 0.474 -3.914 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.281 0.232 -4.842 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -10.524 0.583 -3.301 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -11.115 -1.501 -2.378 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -12.415 -1.756 -3.525 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -10.520 -3.149 -4.026 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -10.772 -2.037 -5.284 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -9.512 -1.790 -4.173 1.00 1.48 H new ATOM 1341 N LYS A 41 -15.023 4.624 -3.449 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.206 5.110 -2.765 1.00 0.35 C ATOM 1343 C LYS A 41 -17.442 4.835 -3.607 1.00 0.38 C ATOM 1344 O LYS A 41 -18.562 4.817 -3.104 1.00 0.40 O ATOM 1345 CB LYS A 41 -16.092 6.612 -2.499 1.00 0.46 C ATOM 1346 CG LYS A 41 -17.044 7.118 -1.434 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.607 6.657 -0.057 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.666 6.926 0.996 1.00 1.03 C ATOM 1349 NZ LYS A 41 -19.007 6.426 0.585 1.00 1.15 N ATOM 0 H LYS A 41 -14.413 5.355 -3.814 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.293 4.588 -1.812 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -15.070 6.842 -2.198 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -16.280 7.151 -3.427 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.083 8.207 -1.462 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -18.052 6.758 -1.640 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -16.387 5.590 -0.085 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -15.684 7.166 0.219 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -17.374 6.450 1.932 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -17.722 7.998 1.187 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -19.512 6.061 1.418 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -19.553 7.204 0.163 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -18.894 5.663 -0.113 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.219 4.626 -4.896 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.298 4.362 -5.827 1.00 0.54 C ATOM 1365 C ALA A 42 -18.372 2.883 -6.207 1.00 0.55 C ATOM 1366 O ALA A 42 -19.206 2.483 -7.018 1.00 0.75 O ATOM 1367 CB ALA A 42 -18.116 5.222 -7.064 1.00 0.61 C ATOM 0 H ALA A 42 -16.292 4.635 -5.320 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.240 4.614 -5.340 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.926 5.026 -7.766 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -18.129 6.274 -6.781 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.162 4.985 -7.535 1.00 0.61 H new ATOM 1373 N MET A 43 -17.504 2.070 -5.617 1.00 0.51 N ATOM 1374 CA MET A 43 -17.487 0.637 -5.908 1.00 0.58 C ATOM 1375 C MET A 43 -18.100 -0.155 -4.766 1.00 0.58 C ATOM 1376 O MET A 43 -17.753 -1.314 -4.538 1.00 0.83 O ATOM 1377 CB MET A 43 -16.062 0.155 -6.178 1.00 0.76 C ATOM 1378 CG MET A 43 -15.476 0.704 -7.467 1.00 0.88 C ATOM 1379 SD MET A 43 -14.399 -0.469 -8.307 1.00 0.98 S ATOM 1380 CE MET A 43 -13.358 -1.019 -6.956 1.00 1.01 C ATOM 0 H MET A 43 -16.806 2.373 -4.938 1.00 0.51 H new ATOM 0 HA MET A 43 -18.085 0.471 -6.804 1.00 0.58 H new ATOM 0 HB2 MET A 43 -15.423 0.446 -5.344 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.056 -0.934 -6.219 1.00 0.76 H new ATOM 0 HG2 MET A 43 -16.288 0.987 -8.137 1.00 0.88 H new ATOM 0 HG3 MET A 43 -14.914 1.611 -7.246 1.00 0.88 H new ATOM 0 HE1 MET A 43 -12.434 -1.438 -7.356 1.00 1.01 H new ATOM 0 HE2 MET A 43 -13.123 -0.173 -6.310 1.00 1.01 H new ATOM 0 HE3 MET A 43 -13.882 -1.781 -6.379 1.00 1.01 H new ATOM 1390 N SER A 44 -19.028 0.477 -4.066 1.00 0.62 N ATOM 1391 CA SER A 44 -19.703 -0.141 -2.944 1.00 0.76 C ATOM 1392 C SER A 44 -20.756 -1.130 -3.439 1.00 0.65 C ATOM 1393 O SER A 44 -21.927 -0.776 -3.575 1.00 0.73 O ATOM 1394 CB SER A 44 -20.357 0.951 -2.096 1.00 1.02 C ATOM 1395 OG SER A 44 -20.815 2.015 -2.918 1.00 1.20 O ATOM 0 H SER A 44 -19.332 1.431 -4.262 1.00 0.62 H new ATOM 0 HA SER A 44 -18.980 -0.689 -2.339 1.00 0.76 H new ATOM 0 HB2 SER A 44 -21.192 0.532 -1.535 1.00 1.02 H new ATOM 0 HB3 SER A 44 -19.641 1.330 -1.366 1.00 1.02 H new ATOM 0 HG SER A 44 -21.232 2.704 -2.359 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.344 -2.359 -3.732 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.275 -3.366 -4.217 1.00 0.76 C ATOM 1403 C ASP A 45 -20.812 -4.769 -3.851 1.00 0.90 C ATOM 1404 O ASP A 45 -19.623 -5.079 -3.934 1.00 1.22 O ATOM 1405 CB ASP A 45 -21.452 -3.253 -5.732 1.00 0.95 C ATOM 1406 CG ASP A 45 -22.693 -3.974 -6.215 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -23.624 -4.159 -5.402 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -22.748 -4.338 -7.408 1.00 1.63 O ATOM 0 H ASP A 45 -19.379 -2.678 -3.642 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.235 -3.186 -3.734 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -21.512 -2.201 -6.012 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -20.576 -3.666 -6.231 1.00 0.95 H new ATOM 1413 N ASP A 46 -21.773 -5.598 -3.440 1.00 1.34 N ATOM 1414 CA ASP A 46 -21.532 -6.992 -3.051 1.00 1.66 C ATOM 1415 C ASP A 46 -20.668 -7.097 -1.790 1.00 1.26 C ATOM 1416 O ASP A 46 -20.248 -8.185 -1.402 1.00 1.63 O ATOM 1417 CB ASP A 46 -20.901 -7.781 -4.207 1.00 2.20 C ATOM 1418 CG ASP A 46 -21.217 -9.263 -4.141 1.00 3.24 C ATOM 1419 OD1 ASP A 46 -22.270 -9.623 -3.576 1.00 3.62 O ATOM 1420 OD2 ASP A 46 -20.424 -10.067 -4.676 1.00 4.04 O ATOM 0 H ASP A 46 -22.751 -5.319 -3.366 1.00 1.34 H new ATOM 0 HA ASP A 46 -22.502 -7.432 -2.818 1.00 1.66 H new ATOM 0 HB2 ASP A 46 -21.259 -7.379 -5.155 1.00 2.20 H new ATOM 0 HB3 ASP A 46 -19.820 -7.642 -4.190 1.00 2.20 H new ATOM 1425 N GLU A 47 -20.420 -5.965 -1.143 1.00 1.46 N ATOM 1426 CA GLU A 47 -19.629 -5.940 0.078 1.00 1.73 C ATOM 1427 C GLU A 47 -20.366 -5.143 1.145 1.00 2.07 C ATOM 1428 O GLU A 47 -20.820 -4.022 0.834 1.00 2.59 O ATOM 1429 CB GLU A 47 -18.232 -5.349 -0.174 1.00 2.46 C ATOM 1430 CG GLU A 47 -17.367 -6.199 -1.096 1.00 2.93 C ATOM 1431 CD GLU A 47 -15.898 -6.208 -0.700 1.00 3.75 C ATOM 1432 OE1 GLU A 47 -15.531 -6.969 0.221 1.00 4.20 O ATOM 1433 OE2 GLU A 47 -15.104 -5.471 -1.324 1.00 4.30 O ATOM 0 H GLU A 47 -20.757 -5.051 -1.445 1.00 1.46 H new ATOM 0 HA GLU A 47 -19.492 -6.964 0.425 1.00 1.73 H new ATOM 0 HB2 GLU A 47 -18.340 -4.354 -0.606 1.00 2.46 H new ATOM 0 HB3 GLU A 47 -17.720 -5.228 0.781 1.00 2.46 H new ATOM 0 HG2 GLU A 47 -17.743 -7.222 -1.095 1.00 2.93 H new ATOM 0 HG3 GLU A 47 -17.459 -5.826 -2.116 1.00 2.93 H new TER 1440 GLU A 47