USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 664 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 8 GLN : amide:sc= 0.00734 K(o=0.0073,f=-4.4!) USER MOD Single : A 22 THR OG1 : rot -57:sc= 1.13 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 79:sc= 1.27 USER MOD Single : A 30 SER OG : rot 66:sc= 0.807 USER MOD Single : A 35 SER OG : rot 72:sc= 1.26 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+ 156:sc= 0.461 (180deg=-0.375) USER MOD Single : A 43 MET CE :methyl -168:sc= -0.028 (180deg=-0.247) USER MOD Single : A 44 SER OG : rot 52:sc= 0.0688 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 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.257) USER MOD Single : B 27 SER OG : rot 78:sc= 1.22 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 53:sc= -0.597 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+ 159:sc= -0.13 (180deg=-0.556) USER MOD Single : B 43 MET CE :methyl -158:sc= -0.214 (180deg=-1.32) USER MOD Single : B 44 SER OG : rot 42:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 1.014 -12.548 2.910 1.00 0.84 N ATOM 63 CA ILE B 6 1.153 -11.584 4.002 1.00 0.73 C ATOM 64 C ILE B 6 2.387 -11.870 4.850 1.00 0.65 C ATOM 65 O ILE B 6 3.071 -10.953 5.306 1.00 0.58 O ATOM 66 CB ILE B 6 -0.093 -11.599 4.920 1.00 0.78 C ATOM 67 CG1 ILE B 6 -1.373 -11.499 4.085 1.00 0.90 C ATOM 68 CG2 ILE B 6 -0.026 -10.460 5.931 1.00 0.74 C ATOM 69 CD1 ILE B 6 -1.438 -10.252 3.231 1.00 0.92 C ATOM 0 HA ILE B 6 1.257 -10.602 3.540 1.00 0.73 H new ATOM 0 HB ILE B 6 -0.108 -12.543 5.465 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -1.447 -12.375 3.441 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -2.235 -11.519 4.752 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.910 -10.486 6.568 1.00 0.74 H new ATOM 0 HG22 ILE B 6 0.867 -10.571 6.546 1.00 0.74 H new ATOM 0 HG23 ILE B 6 0.013 -9.507 5.403 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -2.370 -10.246 2.666 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -1.395 -9.370 3.871 1.00 0.92 H new ATOM 0 HD13 ILE B 6 -0.595 -10.240 2.540 1.00 0.92 H new ATOM 81 N TRP B 7 2.670 -13.152 5.034 1.00 0.70 N ATOM 82 CA TRP B 7 3.803 -13.598 5.833 1.00 0.69 C ATOM 83 C TRP B 7 5.116 -13.011 5.321 1.00 0.57 C ATOM 84 O TRP B 7 5.808 -12.294 6.042 1.00 0.50 O ATOM 85 CB TRP B 7 3.877 -15.123 5.806 1.00 0.80 C ATOM 86 CG TRP B 7 4.088 -15.744 7.157 1.00 0.75 C ATOM 87 CD1 TRP B 7 3.124 -16.170 8.030 1.00 0.81 C ATOM 88 CD2 TRP B 7 5.346 -16.016 7.790 1.00 0.80 C ATOM 89 NE1 TRP B 7 3.706 -16.692 9.159 1.00 0.86 N ATOM 90 CE2 TRP B 7 5.068 -16.605 9.039 1.00 0.85 C ATOM 91 CE3 TRP B 7 6.686 -15.814 7.425 1.00 0.96 C ATOM 92 CZ2 TRP B 7 6.077 -16.996 9.921 1.00 1.00 C ATOM 93 CZ3 TRP B 7 7.684 -16.203 8.299 1.00 1.14 C ATOM 94 CH2 TRP B 7 7.374 -16.790 9.534 1.00 1.14 C ATOM 0 H TRP B 7 2.121 -13.912 4.634 1.00 0.70 H new ATOM 0 HA TRP B 7 3.655 -13.249 6.855 1.00 0.69 H new ATOM 0 HB2 TRP B 7 2.955 -15.515 5.377 1.00 0.80 H new ATOM 0 HB3 TRP B 7 4.690 -15.426 5.146 1.00 0.80 H new ATOM 0 HD1 TRP B 7 2.060 -16.105 7.856 1.00 0.81 H new ATOM 0 HE1 TRP B 7 3.205 -17.081 9.958 1.00 0.86 H new ATOM 0 HE3 TRP B 7 6.934 -15.362 6.476 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 5.843 -17.445 10.875 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 8.718 -16.052 8.026 1.00 1.14 H new ATOM 0 HH2 TRP B 7 8.176 -17.086 10.194 1.00 1.14 H new ATOM 105 N GLN B 8 5.452 -13.322 4.078 1.00 0.58 N ATOM 106 CA GLN B 8 6.686 -12.832 3.468 1.00 0.51 C ATOM 107 C GLN B 8 6.601 -11.340 3.172 1.00 0.41 C ATOM 108 O GLN B 8 7.614 -10.637 3.199 1.00 0.38 O ATOM 109 CB GLN B 8 6.994 -13.598 2.185 1.00 0.58 C ATOM 110 CG GLN B 8 7.060 -15.106 2.379 1.00 0.83 C ATOM 111 CD GLN B 8 5.794 -15.802 1.931 1.00 1.13 C ATOM 112 OE1 GLN B 8 4.792 -15.810 2.644 1.00 1.57 O ATOM 113 NE2 GLN B 8 5.839 -16.410 0.758 1.00 1.28 N ATOM 0 H GLN B 8 4.888 -13.913 3.468 1.00 0.58 H new ATOM 0 HA GLN B 8 7.493 -12.996 4.182 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.230 -13.368 1.442 1.00 0.58 H new ATOM 0 HB3 GLN B 8 7.945 -13.249 1.783 1.00 0.58 H new ATOM 0 HG2 GLN B 8 7.907 -15.504 1.821 1.00 0.83 H new ATOM 0 HG3 GLN B 8 7.239 -15.327 3.431 1.00 0.83 H new ATOM 0 HE21 GLN B 8 6.692 -16.378 0.199 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.021 -16.911 0.412 1.00 1.28 H new ATOM 122 N LEU B 9 5.392 -10.861 2.895 1.00 0.43 N ATOM 123 CA LEU B 9 5.173 -9.445 2.609 1.00 0.41 C ATOM 124 C LEU B 9 5.604 -8.603 3.803 1.00 0.37 C ATOM 125 O LEU B 9 6.225 -7.552 3.655 1.00 0.37 O ATOM 126 CB LEU B 9 3.693 -9.182 2.306 1.00 0.52 C ATOM 127 CG LEU B 9 3.316 -9.035 0.825 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.354 -7.573 0.401 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.232 -9.874 -0.059 1.00 0.59 C ATOM 0 H LEU B 9 4.548 -11.432 2.862 1.00 0.43 H new ATOM 0 HA LEU B 9 5.767 -9.172 1.737 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.107 -9.998 2.728 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.394 -8.272 2.827 1.00 0.52 H new ATOM 0 HG LEU B 9 2.297 -9.402 0.701 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.084 -7.492 -0.652 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.647 -7.001 1.002 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.359 -7.177 0.549 1.00 0.61 H new ATOM 0 HD21 LEU B 9 3.943 -9.751 -1.103 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.264 -9.547 0.072 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.145 -10.924 0.220 1.00 0.59 H new ATOM 141 N LEU B 10 5.273 -9.092 4.989 1.00 0.39 N ATOM 142 CA LEU B 10 5.614 -8.412 6.225 1.00 0.38 C ATOM 143 C LEU B 10 7.123 -8.311 6.388 1.00 0.35 C ATOM 144 O LEU B 10 7.642 -7.265 6.756 1.00 0.34 O ATOM 145 CB LEU B 10 5.029 -9.163 7.423 1.00 0.39 C ATOM 146 CG LEU B 10 4.010 -8.391 8.269 1.00 0.43 C ATOM 147 CD1 LEU B 10 3.693 -9.162 9.543 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.524 -6.996 8.610 1.00 0.42 C ATOM 0 H LEU B 10 4.764 -9.966 5.119 1.00 0.39 H new ATOM 0 HA LEU B 10 5.193 -7.408 6.182 1.00 0.38 H new ATOM 0 HB2 LEU B 10 4.553 -10.073 7.058 1.00 0.39 H new ATOM 0 HB3 LEU B 10 5.851 -9.470 8.070 1.00 0.39 H new ATOM 0 HG LEU B 10 3.097 -8.281 7.684 1.00 0.43 H new ATOM 0 HD11 LEU B 10 2.968 -8.604 10.135 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.277 -10.136 9.285 1.00 0.49 H new ATOM 0 HD13 LEU B 10 4.606 -9.299 10.122 1.00 0.49 H new ATOM 0 HD21 LEU B 10 3.781 -6.471 9.210 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.453 -7.078 9.173 1.00 0.42 H new ATOM 0 HD23 LEU B 10 4.705 -6.440 7.690 1.00 0.42 H new ATOM 160 N ILE B 11 7.817 -9.403 6.088 1.00 0.35 N ATOM 161 CA ILE B 11 9.272 -9.461 6.226 1.00 0.35 C ATOM 162 C ILE B 11 9.978 -8.345 5.458 1.00 0.31 C ATOM 163 O ILE B 11 10.715 -7.554 6.051 1.00 0.37 O ATOM 164 CB ILE B 11 9.834 -10.824 5.766 1.00 0.39 C ATOM 165 CG1 ILE B 11 9.142 -11.967 6.513 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.343 -10.884 5.986 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.554 -13.346 6.036 1.00 1.04 C ATOM 0 H ILE B 11 7.395 -10.266 5.746 1.00 0.35 H new ATOM 0 HA ILE B 11 9.472 -9.328 7.289 1.00 0.35 H new ATOM 0 HB ILE B 11 9.636 -10.935 4.700 1.00 0.39 H new ATOM 0 HG12 ILE B 11 9.362 -11.880 7.577 1.00 0.74 H new ATOM 0 HG13 ILE B 11 8.063 -11.861 6.401 1.00 0.74 H new ATOM 0 HG21 ILE B 11 11.721 -11.852 5.656 1.00 0.46 H new ATOM 0 HG22 ILE B 11 11.826 -10.092 5.414 1.00 0.46 H new ATOM 0 HG23 ILE B 11 11.562 -10.751 7.046 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.023 -14.104 6.612 1.00 1.04 H new ATOM 0 HD12 ILE B 11 9.308 -13.454 4.980 1.00 1.04 H new ATOM 0 HD13 ILE B 11 10.628 -13.473 6.173 1.00 1.04 H new ATOM 179 N ILE B 12 9.748 -8.270 4.149 1.00 0.25 N ATOM 180 CA ILE B 12 10.401 -7.257 3.323 1.00 0.23 C ATOM 181 C ILE B 12 9.966 -5.848 3.725 1.00 0.23 C ATOM 182 O ILE B 12 10.790 -4.936 3.802 1.00 0.21 O ATOM 183 CB ILE B 12 10.129 -7.460 1.812 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.110 -8.942 1.452 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.196 -6.755 0.989 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.459 -9.233 0.116 1.00 0.32 C ATOM 0 H ILE B 12 9.120 -8.893 3.641 1.00 0.25 H new ATOM 0 HA ILE B 12 11.471 -7.372 3.497 1.00 0.23 H new ATOM 0 HB ILE B 12 9.151 -7.034 1.588 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.133 -9.317 1.437 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.581 -9.490 2.232 1.00 0.27 H new ATOM 0 HG21 ILE B 12 10.995 -6.904 -0.072 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.184 -5.689 1.214 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.175 -7.166 1.234 1.00 0.26 H new ATOM 0 HD11 ILE B 12 9.482 -10.306 -0.074 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.425 -8.889 0.133 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.001 -8.713 -0.674 1.00 0.32 H new ATOM 198 N ALA B 13 8.674 -5.680 3.991 1.00 0.26 N ATOM 199 CA ALA B 13 8.141 -4.381 4.388 1.00 0.28 C ATOM 200 C ALA B 13 8.749 -3.928 5.727 1.00 0.26 C ATOM 201 O ALA B 13 9.014 -2.740 5.929 1.00 0.26 O ATOM 202 CB ALA B 13 6.625 -4.446 4.497 1.00 0.34 C ATOM 0 H ALA B 13 7.979 -6.425 3.939 1.00 0.26 H new ATOM 0 HA ALA B 13 8.410 -3.652 3.624 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.239 -3.471 4.794 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.202 -4.725 3.532 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.345 -5.189 5.244 1.00 0.34 H new ATOM 208 N VAL B 14 8.960 -4.886 6.641 1.00 0.25 N ATOM 209 CA VAL B 14 9.543 -4.600 7.962 1.00 0.25 C ATOM 210 C VAL B 14 10.976 -4.094 7.823 1.00 0.21 C ATOM 211 O VAL B 14 11.364 -3.113 8.461 1.00 0.21 O ATOM 212 CB VAL B 14 9.515 -5.848 8.891 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.571 -5.767 9.993 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.137 -6.015 9.509 1.00 0.36 C ATOM 0 H VAL B 14 8.735 -5.869 6.490 1.00 0.25 H new ATOM 0 HA VAL B 14 8.930 -3.824 8.419 1.00 0.25 H new ATOM 0 HB VAL B 14 9.746 -6.716 8.273 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.515 -6.659 10.617 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.562 -5.701 9.543 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.391 -4.884 10.606 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.132 -6.892 10.156 1.00 0.36 H new ATOM 0 HG22 VAL B 14 7.892 -5.130 10.096 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.397 -6.143 8.719 1.00 0.36 H new ATOM 224 N ILE B 15 11.759 -4.761 6.982 1.00 0.19 N ATOM 225 CA ILE B 15 13.143 -4.360 6.752 1.00 0.19 C ATOM 226 C ILE B 15 13.181 -2.943 6.183 1.00 0.18 C ATOM 227 O ILE B 15 14.097 -2.165 6.455 1.00 0.22 O ATOM 228 CB ILE B 15 13.863 -5.341 5.792 1.00 0.20 C ATOM 229 CG1 ILE B 15 13.900 -6.742 6.410 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.275 -4.859 5.488 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.331 -7.831 5.450 1.00 0.28 C ATOM 0 H ILE B 15 11.461 -5.579 6.450 1.00 0.19 H new ATOM 0 HA ILE B 15 13.668 -4.383 7.707 1.00 0.19 H new ATOM 0 HB ILE B 15 13.308 -5.381 4.854 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.580 -6.734 7.262 1.00 0.24 H new ATOM 0 HG13 ILE B 15 12.909 -6.984 6.795 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.762 -5.562 4.813 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.231 -3.876 5.018 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.844 -4.793 6.415 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.331 -8.791 5.965 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.638 -7.870 4.609 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.335 -7.616 5.083 1.00 0.28 H new ATOM 243 N VAL B 16 12.147 -2.616 5.425 1.00 0.18 N ATOM 244 CA VAL B 16 12.010 -1.308 4.801 1.00 0.21 C ATOM 245 C VAL B 16 11.869 -0.188 5.834 1.00 0.22 C ATOM 246 O VAL B 16 12.293 0.941 5.592 1.00 0.24 O ATOM 247 CB VAL B 16 10.802 -1.314 3.832 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.973 -0.038 3.906 1.00 0.26 C ATOM 249 CG2 VAL B 16 11.287 -1.560 2.421 1.00 0.28 C ATOM 0 H VAL B 16 11.375 -3.252 5.224 1.00 0.18 H new ATOM 0 HA VAL B 16 12.923 -1.108 4.240 1.00 0.21 H new ATOM 0 HB VAL B 16 10.139 -2.122 4.140 1.00 0.24 H new ATOM 0 HG11 VAL B 16 9.142 -0.103 3.204 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.585 0.086 4.917 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.598 0.817 3.650 1.00 0.26 H new ATOM 0 HG21 VAL B 16 10.436 -1.564 1.739 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.980 -0.770 2.132 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.795 -2.523 2.374 1.00 0.28 H new ATOM 259 N VAL B 17 11.302 -0.497 6.990 1.00 0.23 N ATOM 260 CA VAL B 17 11.110 0.508 8.027 1.00 0.27 C ATOM 261 C VAL B 17 12.439 1.136 8.448 1.00 0.28 C ATOM 262 O VAL B 17 12.604 2.355 8.375 1.00 0.33 O ATOM 263 CB VAL B 17 10.403 -0.075 9.267 1.00 0.29 C ATOM 264 CG1 VAL B 17 10.087 1.023 10.270 1.00 0.35 C ATOM 265 CG2 VAL B 17 9.134 -0.814 8.868 1.00 0.30 C ATOM 0 H VAL B 17 10.968 -1.429 7.234 1.00 0.23 H new ATOM 0 HA VAL B 17 10.473 1.280 7.595 1.00 0.27 H new ATOM 0 HB VAL B 17 11.079 -0.788 9.739 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.588 0.591 11.138 1.00 0.35 H new ATOM 0 HG12 VAL B 17 11.012 1.505 10.586 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.433 1.762 9.807 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.652 -1.217 9.759 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.454 -0.125 8.368 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.386 -1.631 8.191 1.00 0.30 H new ATOM 275 N LEU B 18 13.388 0.298 8.857 1.00 0.29 N ATOM 276 CA LEU B 18 14.699 0.780 9.291 1.00 0.32 C ATOM 277 C LEU B 18 15.532 1.263 8.107 1.00 0.33 C ATOM 278 O LEU B 18 16.436 2.083 8.264 1.00 0.44 O ATOM 279 CB LEU B 18 15.455 -0.316 10.054 1.00 0.32 C ATOM 280 CG LEU B 18 15.599 -1.654 9.321 1.00 0.28 C ATOM 281 CD1 LEU B 18 17.039 -2.139 9.371 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.667 -2.694 9.928 1.00 0.24 C ATOM 0 H LEU B 18 13.276 -0.715 8.897 1.00 0.29 H new ATOM 0 HA LEU B 18 14.534 1.625 9.959 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.451 0.055 10.295 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.944 -0.494 11.000 1.00 0.32 H new ATOM 0 HG LEU B 18 15.322 -1.506 8.277 1.00 0.28 H new ATOM 0 HD11 LEU B 18 17.121 -3.090 8.845 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.687 -1.404 8.894 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.343 -2.271 10.410 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.781 -3.639 9.397 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.916 -2.837 10.979 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.636 -2.352 9.843 1.00 0.24 H new ATOM 294 N LEU B 19 15.210 0.761 6.922 1.00 0.26 N ATOM 295 CA LEU B 19 15.918 1.128 5.703 1.00 0.28 C ATOM 296 C LEU B 19 15.747 2.617 5.407 1.00 0.31 C ATOM 297 O LEU B 19 16.671 3.276 4.933 1.00 0.35 O ATOM 298 CB LEU B 19 15.388 0.291 4.530 1.00 0.24 C ATOM 299 CG LEU B 19 16.437 -0.213 3.529 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.806 -1.158 2.515 1.00 0.22 C ATOM 301 CD2 LEU B 19 17.090 0.947 2.805 1.00 0.28 C ATOM 0 H LEU B 19 14.454 0.091 6.779 1.00 0.26 H new ATOM 0 HA LEU B 19 16.981 0.928 5.839 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.859 -0.572 4.936 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.655 0.888 3.987 1.00 0.24 H new ATOM 0 HG LEU B 19 17.199 -0.754 4.091 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.568 -1.503 1.816 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.376 -2.014 3.034 1.00 0.22 H new ATOM 0 HD13 LEU B 19 15.022 -0.634 1.968 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.830 0.566 2.101 1.00 0.28 H new ATOM 0 HD22 LEU B 19 16.331 1.512 2.264 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.580 1.598 3.529 1.00 0.28 H new ATOM 313 N PHE B 20 14.565 3.150 5.701 1.00 0.32 N ATOM 314 CA PHE B 20 14.286 4.553 5.419 1.00 0.37 C ATOM 315 C PHE B 20 13.936 5.334 6.679 1.00 0.40 C ATOM 316 O PHE B 20 13.338 6.406 6.606 1.00 0.59 O ATOM 317 CB PHE B 20 13.152 4.655 4.397 1.00 0.39 C ATOM 318 CG PHE B 20 13.207 3.559 3.371 1.00 0.34 C ATOM 319 CD1 PHE B 20 14.307 3.417 2.543 1.00 0.96 C ATOM 320 CD2 PHE B 20 12.179 2.643 3.268 1.00 1.05 C ATOM 321 CE1 PHE B 20 14.378 2.379 1.641 1.00 0.97 C ATOM 322 CE2 PHE B 20 12.250 1.608 2.359 1.00 1.02 C ATOM 323 CZ PHE B 20 13.354 1.472 1.552 1.00 0.29 C ATOM 0 H PHE B 20 13.794 2.638 6.129 1.00 0.32 H new ATOM 0 HA PHE B 20 15.193 4.998 5.009 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.194 4.616 4.916 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.204 5.622 3.896 1.00 0.39 H new ATOM 0 HD1 PHE B 20 15.118 4.128 2.605 1.00 0.96 H new ATOM 0 HD2 PHE B 20 11.312 2.738 3.905 1.00 1.05 H new ATOM 0 HE1 PHE B 20 15.243 2.279 1.002 1.00 0.97 H new ATOM 0 HE2 PHE B 20 11.436 0.903 2.281 1.00 1.02 H new ATOM 0 HZ PHE B 20 13.415 0.653 0.850 1.00 0.29 H new ATOM 333 N GLY B 21 14.305 4.785 7.833 1.00 0.30 N ATOM 334 CA GLY B 21 14.050 5.444 9.107 1.00 0.33 C ATOM 335 C GLY B 21 12.587 5.790 9.332 1.00 0.27 C ATOM 336 O GLY B 21 12.277 6.784 9.986 1.00 0.34 O ATOM 0 H GLY B 21 14.781 3.886 7.910 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.390 4.797 9.916 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.643 6.357 9.159 1.00 0.33 H new ATOM 340 N THR B 22 11.693 4.964 8.793 1.00 0.27 N ATOM 341 CA THR B 22 10.248 5.164 8.920 1.00 0.33 C ATOM 342 C THR B 22 9.784 6.485 8.283 1.00 0.42 C ATOM 343 O THR B 22 8.642 6.901 8.466 1.00 0.59 O ATOM 344 CB THR B 22 9.807 5.116 10.400 1.00 0.35 C ATOM 345 OG1 THR B 22 10.678 4.251 11.141 1.00 0.85 O ATOM 346 CG2 THR B 22 8.375 4.613 10.533 1.00 0.74 C ATOM 0 H THR B 22 11.948 4.136 8.255 1.00 0.27 H new ATOM 0 HA THR B 22 9.774 4.345 8.378 1.00 0.33 H new ATOM 0 HB THR B 22 9.860 6.130 10.797 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.394 4.226 12.079 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.094 4.590 11.586 1.00 0.74 H new ATOM 0 HG22 THR B 22 7.703 5.280 9.992 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.302 3.608 10.116 1.00 0.74 H new ATOM 354 N LYS B 23 10.658 7.123 7.507 1.00 0.41 N ATOM 355 CA LYS B 23 10.319 8.387 6.860 1.00 0.58 C ATOM 356 C LYS B 23 9.243 8.183 5.799 1.00 0.73 C ATOM 357 O LYS B 23 8.271 8.935 5.730 1.00 1.13 O ATOM 358 CB LYS B 23 11.568 9.014 6.240 1.00 0.57 C ATOM 359 CG LYS B 23 12.569 9.507 7.273 1.00 0.79 C ATOM 360 CD LYS B 23 13.897 9.897 6.642 1.00 0.96 C ATOM 361 CE LYS B 23 13.781 11.176 5.828 1.00 1.41 C ATOM 362 NZ LYS B 23 15.109 11.683 5.400 1.00 1.89 N ATOM 0 H LYS B 23 11.601 6.787 7.312 1.00 0.41 H new ATOM 0 HA LYS B 23 9.924 9.065 7.617 1.00 0.58 H new ATOM 0 HB2 LYS B 23 12.053 8.281 5.596 1.00 0.57 H new ATOM 0 HB3 LYS B 23 11.270 9.849 5.605 1.00 0.57 H new ATOM 0 HG2 LYS B 23 12.152 10.365 7.800 1.00 0.79 H new ATOM 0 HG3 LYS B 23 12.736 8.727 8.016 1.00 0.79 H new ATOM 0 HD2 LYS B 23 14.646 10.030 7.423 1.00 0.96 H new ATOM 0 HD3 LYS B 23 14.246 9.088 6.000 1.00 0.96 H new ATOM 0 HE2 LYS B 23 13.162 10.992 4.950 1.00 1.41 H new ATOM 0 HE3 LYS B 23 13.275 11.938 6.420 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 14.986 12.556 4.848 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 15.691 11.883 6.238 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 15.582 10.966 4.813 1.00 1.89 H new ATOM 376 N LYS B 24 9.421 7.153 4.983 1.00 0.73 N ATOM 377 CA LYS B 24 8.466 6.839 3.927 1.00 1.03 C ATOM 378 C LYS B 24 7.142 6.393 4.517 1.00 0.71 C ATOM 379 O LYS B 24 6.103 7.011 4.295 1.00 0.55 O ATOM 380 CB LYS B 24 9.012 5.724 3.028 1.00 1.60 C ATOM 381 CG LYS B 24 8.077 5.341 1.887 1.00 2.50 C ATOM 382 CD LYS B 24 7.272 4.077 2.189 1.00 3.67 C ATOM 383 CE LYS B 24 8.114 2.816 2.084 1.00 4.88 C ATOM 384 NZ LYS B 24 7.269 1.593 2.007 1.00 5.98 N ATOM 0 H LYS B 24 10.219 6.519 5.032 1.00 0.73 H new ATOM 0 HA LYS B 24 8.311 7.742 3.337 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.968 6.041 2.611 1.00 1.60 H new ATOM 0 HB3 LYS B 24 9.207 4.842 3.637 1.00 1.60 H new ATOM 0 HG2 LYS B 24 7.392 6.166 1.690 1.00 2.50 H new ATOM 0 HG3 LYS B 24 8.661 5.188 0.979 1.00 2.50 H new ATOM 0 HD2 LYS B 24 6.852 4.148 3.192 1.00 3.67 H new ATOM 0 HD3 LYS B 24 6.433 4.009 1.496 1.00 3.67 H new ATOM 0 HE2 LYS B 24 8.749 2.875 1.200 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.775 2.747 2.948 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 7.855 0.784 1.718 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 6.850 1.401 2.939 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 6.511 1.738 1.310 1.00 5.98 H new ATOM 398 N LEU B 25 7.207 5.314 5.276 1.00 0.71 N ATOM 399 CA LEU B 25 6.038 4.709 5.897 1.00 0.62 C ATOM 400 C LEU B 25 5.286 5.694 6.789 1.00 0.44 C ATOM 401 O LEU B 25 4.065 5.635 6.887 1.00 0.56 O ATOM 402 CB LEU B 25 6.461 3.475 6.695 1.00 0.76 C ATOM 403 CG LEU B 25 7.439 2.546 5.963 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.858 2.765 6.458 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.029 1.093 6.155 1.00 0.75 C ATOM 0 H LEU B 25 8.079 4.827 5.482 1.00 0.71 H new ATOM 0 HA LEU B 25 5.352 4.413 5.104 1.00 0.62 H new ATOM 0 HB2 LEU B 25 6.920 3.802 7.628 1.00 0.76 H new ATOM 0 HB3 LEU B 25 5.570 2.907 6.960 1.00 0.76 H new ATOM 0 HG LEU B 25 7.407 2.781 4.899 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.536 2.097 5.927 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.151 3.799 6.276 1.00 0.86 H new ATOM 0 HD13 LEU B 25 8.907 2.556 7.527 1.00 0.86 H new ATOM 0 HD21 LEU B 25 7.731 0.445 5.631 1.00 0.75 H new ATOM 0 HD22 LEU B 25 7.035 0.851 7.218 1.00 0.75 H new ATOM 0 HD23 LEU B 25 6.027 0.942 5.754 1.00 0.75 H new ATOM 417 N GLY B 26 6.012 6.608 7.416 1.00 0.42 N ATOM 418 CA GLY B 26 5.382 7.582 8.281 1.00 0.53 C ATOM 419 C GLY B 26 4.630 8.644 7.503 1.00 0.60 C ATOM 420 O GLY B 26 3.743 9.298 8.042 1.00 0.87 O ATOM 0 H GLY B 26 7.026 6.692 7.341 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.693 7.073 8.956 1.00 0.53 H new ATOM 0 HA3 GLY B 26 6.141 8.059 8.901 1.00 0.53 H new ATOM 424 N SER B 27 4.982 8.813 6.236 1.00 0.53 N ATOM 425 CA SER B 27 4.328 9.807 5.399 1.00 0.58 C ATOM 426 C SER B 27 3.236 9.181 4.528 1.00 0.51 C ATOM 427 O SER B 27 2.049 9.381 4.782 1.00 0.53 O ATOM 428 CB SER B 27 5.362 10.509 4.514 1.00 0.66 C ATOM 429 OG SER B 27 6.458 10.976 5.281 1.00 0.89 O ATOM 0 H SER B 27 5.713 8.277 5.768 1.00 0.53 H new ATOM 0 HA SER B 27 3.855 10.536 6.057 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.718 9.820 3.748 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.894 11.346 3.996 1.00 0.66 H new ATOM 0 HG SER B 27 7.056 10.227 5.486 1.00 0.89 H new ATOM 435 N ILE B 28 3.641 8.386 3.539 1.00 0.47 N ATOM 436 CA ILE B 28 2.694 7.760 2.620 1.00 0.44 C ATOM 437 C ILE B 28 1.771 6.778 3.352 1.00 0.42 C ATOM 438 O ILE B 28 0.597 6.634 3.007 1.00 0.41 O ATOM 439 CB ILE B 28 3.423 7.027 1.462 1.00 0.49 C ATOM 440 CG1 ILE B 28 2.421 6.405 0.487 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.363 5.960 1.997 1.00 0.80 C ATOM 442 CD1 ILE B 28 3.067 5.612 -0.633 1.00 1.25 C ATOM 0 H ILE B 28 4.618 8.161 3.354 1.00 0.47 H new ATOM 0 HA ILE B 28 2.089 8.562 2.197 1.00 0.44 H new ATOM 0 HB ILE B 28 4.013 7.769 0.924 1.00 0.49 H new ATOM 0 HG12 ILE B 28 1.748 5.751 1.041 1.00 1.16 H new ATOM 0 HG13 ILE B 28 1.811 7.197 0.053 1.00 1.16 H new ATOM 0 HG21 ILE B 28 4.860 5.463 1.164 1.00 0.80 H new ATOM 0 HG22 ILE B 28 5.110 6.423 2.641 1.00 0.80 H new ATOM 0 HG23 ILE B 28 3.794 5.228 2.570 1.00 0.80 H new ATOM 0 HD11 ILE B 28 2.293 5.202 -1.282 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.719 6.266 -1.213 1.00 1.25 H new ATOM 0 HD13 ILE B 28 3.654 4.797 -0.210 1.00 1.25 H new ATOM 454 N GLY B 29 2.309 6.126 4.380 1.00 0.46 N ATOM 455 CA GLY B 29 1.542 5.159 5.142 1.00 0.48 C ATOM 456 C GLY B 29 0.391 5.786 5.900 1.00 0.46 C ATOM 457 O GLY B 29 -0.692 5.209 5.976 1.00 0.50 O ATOM 0 H GLY B 29 3.269 6.253 4.699 1.00 0.46 H new ATOM 0 HA2 GLY B 29 1.153 4.397 4.466 1.00 0.48 H new ATOM 0 HA3 GLY B 29 2.202 4.653 5.847 1.00 0.48 H new ATOM 461 N SER B 30 0.618 6.966 6.455 1.00 0.43 N ATOM 462 CA SER B 30 -0.417 7.660 7.203 1.00 0.45 C ATOM 463 C SER B 30 -1.498 8.161 6.255 1.00 0.42 C ATOM 464 O SER B 30 -2.695 8.023 6.526 1.00 0.45 O ATOM 465 CB SER B 30 0.182 8.831 7.985 1.00 0.47 C ATOM 466 OG SER B 30 -0.626 9.174 9.096 1.00 0.94 O ATOM 0 H SER B 30 1.508 7.462 6.402 1.00 0.43 H new ATOM 0 HA SER B 30 -0.862 6.962 7.912 1.00 0.45 H new ATOM 0 HB2 SER B 30 1.183 8.568 8.328 1.00 0.47 H new ATOM 0 HB3 SER B 30 0.286 9.694 7.328 1.00 0.47 H new ATOM 0 HG SER B 30 -0.218 9.924 9.578 1.00 0.94 H new ATOM 472 N ASP B 31 -1.063 8.717 5.130 1.00 0.37 N ATOM 473 CA ASP B 31 -1.978 9.246 4.126 1.00 0.38 C ATOM 474 C ASP B 31 -2.877 8.148 3.578 1.00 0.37 C ATOM 475 O ASP B 31 -4.107 8.244 3.637 1.00 0.39 O ATOM 476 CB ASP B 31 -1.197 9.895 2.983 1.00 0.38 C ATOM 477 CG ASP B 31 -1.018 11.385 3.182 1.00 0.96 C ATOM 478 OD1 ASP B 31 -1.885 12.157 2.721 1.00 1.35 O ATOM 479 OD2 ASP B 31 -0.005 11.789 3.783 1.00 1.48 O ATOM 0 H ASP B 31 -0.076 8.813 4.890 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.603 10.000 4.605 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.219 9.422 2.900 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.718 9.716 2.043 1.00 0.38 H new ATOM 484 N LEU B 32 -2.264 7.089 3.064 1.00 0.36 N ATOM 485 CA LEU B 32 -3.018 5.971 2.515 1.00 0.36 C ATOM 486 C LEU B 32 -3.746 5.218 3.623 1.00 0.38 C ATOM 487 O LEU B 32 -4.718 4.504 3.371 1.00 0.40 O ATOM 488 CB LEU B 32 -2.109 5.053 1.701 1.00 0.36 C ATOM 489 CG LEU B 32 -2.110 5.367 0.204 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.746 5.156 -0.420 1.00 0.59 C ATOM 491 CD2 LEU B 32 -3.150 4.527 -0.508 1.00 0.57 C ATOM 0 H LEU B 32 -1.251 6.982 3.016 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.775 6.361 1.835 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.090 5.133 2.081 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.423 4.020 1.848 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.362 6.421 0.091 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.792 5.390 -1.483 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -0.019 5.809 0.064 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.443 4.117 -0.290 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -3.140 4.761 -1.573 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -2.923 3.470 -0.366 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -4.136 4.745 -0.098 1.00 0.57 H new ATOM 503 N GLY B 33 -3.282 5.396 4.857 1.00 0.38 N ATOM 504 CA GLY B 33 -3.932 4.777 5.994 1.00 0.39 C ATOM 505 C GLY B 33 -5.288 5.413 6.218 1.00 0.41 C ATOM 506 O GLY B 33 -6.253 4.745 6.585 1.00 0.42 O ATOM 0 H GLY B 33 -2.464 5.960 5.088 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.046 3.707 5.821 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.314 4.892 6.885 1.00 0.39 H new ATOM 510 N ALA B 34 -5.353 6.716 5.974 1.00 0.41 N ATOM 511 CA ALA B 34 -6.592 7.464 6.101 1.00 0.44 C ATOM 512 C ALA B 34 -7.486 7.166 4.910 1.00 0.44 C ATOM 513 O ALA B 34 -8.706 7.306 4.965 1.00 0.49 O ATOM 514 CB ALA B 34 -6.303 8.951 6.163 1.00 0.44 C ATOM 0 H ALA B 34 -4.553 7.278 5.685 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.095 7.165 7.021 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.240 9.500 6.258 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.669 9.163 7.024 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -5.792 9.261 5.251 1.00 0.44 H new ATOM 520 N SER B 35 -6.858 6.749 3.829 1.00 0.42 N ATOM 521 CA SER B 35 -7.570 6.428 2.610 1.00 0.42 C ATOM 522 C SER B 35 -8.323 5.101 2.755 1.00 0.41 C ATOM 523 O SER B 35 -9.468 4.971 2.316 1.00 0.40 O ATOM 524 CB SER B 35 -6.577 6.351 1.453 1.00 0.43 C ATOM 525 OG SER B 35 -5.699 7.467 1.460 1.00 0.48 O ATOM 0 H SER B 35 -5.847 6.624 3.771 1.00 0.42 H new ATOM 0 HA SER B 35 -8.303 7.210 2.409 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.000 5.429 1.525 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.117 6.315 0.507 1.00 0.43 H new ATOM 0 HG SER B 35 -5.282 7.549 2.343 1.00 0.48 H new ATOM 531 N ILE B 36 -7.682 4.127 3.405 1.00 0.45 N ATOM 532 CA ILE B 36 -8.280 2.808 3.591 1.00 0.47 C ATOM 533 C ILE B 36 -9.488 2.853 4.533 1.00 0.43 C ATOM 534 O ILE B 36 -10.429 2.075 4.368 1.00 0.43 O ATOM 535 CB ILE B 36 -7.245 1.775 4.114 1.00 0.57 C ATOM 536 CG1 ILE B 36 -7.691 0.348 3.782 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.035 1.915 5.617 1.00 0.55 C ATOM 538 CD1 ILE B 36 -7.384 -0.081 2.361 1.00 1.03 C ATOM 0 H ILE B 36 -6.751 4.229 3.810 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.624 2.489 2.607 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.298 1.977 3.614 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -7.206 -0.343 4.472 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -8.765 0.266 3.951 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.305 1.178 5.953 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -6.669 2.917 5.841 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -7.981 1.750 6.133 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -7.731 -1.103 2.206 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -7.891 0.584 1.662 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -6.308 -0.034 2.191 1.00 1.03 H new ATOM 550 N LYS B 37 -9.480 3.772 5.502 1.00 0.42 N ATOM 551 CA LYS B 37 -10.590 3.875 6.450 1.00 0.41 C ATOM 552 C LYS B 37 -11.825 4.455 5.767 1.00 0.43 C ATOM 553 O LYS B 37 -12.953 4.187 6.175 1.00 0.55 O ATOM 554 CB LYS B 37 -10.207 4.722 7.674 1.00 0.44 C ATOM 555 CG LYS B 37 -10.151 6.212 7.400 1.00 0.46 C ATOM 556 CD LYS B 37 -9.849 7.011 8.655 1.00 0.51 C ATOM 557 CE LYS B 37 -9.786 8.498 8.349 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.670 9.325 9.579 1.00 0.70 N ATOM 0 H LYS B 37 -8.729 4.446 5.649 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.822 2.869 6.800 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -10.927 4.536 8.471 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.234 4.394 8.040 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.387 6.414 6.649 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.103 6.540 6.982 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.617 6.822 9.405 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -8.901 6.683 9.081 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.934 8.697 7.699 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.681 8.792 7.800 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.630 10.331 9.318 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.495 9.158 10.189 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.803 9.066 10.091 1.00 0.70 H new ATOM 572 N GLY B 38 -11.605 5.246 4.722 1.00 0.36 N ATOM 573 CA GLY B 38 -12.711 5.834 3.993 1.00 0.42 C ATOM 574 C GLY B 38 -13.280 4.868 2.972 1.00 0.44 C ATOM 575 O GLY B 38 -14.489 4.843 2.729 1.00 0.51 O ATOM 0 H GLY B 38 -10.680 5.490 4.368 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.494 6.128 4.692 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.375 6.741 3.490 1.00 0.42 H new ATOM 579 N PHE B 39 -12.395 4.071 2.376 1.00 0.44 N ATOM 580 CA PHE B 39 -12.792 3.082 1.383 1.00 0.52 C ATOM 581 C PHE B 39 -13.510 1.917 2.053 1.00 0.43 C ATOM 582 O PHE B 39 -14.592 1.518 1.625 1.00 0.48 O ATOM 583 CB PHE B 39 -11.560 2.592 0.602 1.00 0.70 C ATOM 584 CG PHE B 39 -11.563 1.117 0.262 1.00 0.74 C ATOM 585 CD1 PHE B 39 -12.562 0.565 -0.522 1.00 0.74 C ATOM 586 CD2 PHE B 39 -10.557 0.287 0.729 1.00 1.21 C ATOM 587 CE1 PHE B 39 -12.556 -0.781 -0.837 1.00 1.06 C ATOM 588 CE2 PHE B 39 -10.545 -1.061 0.418 1.00 1.48 C ATOM 589 CZ PHE B 39 -11.545 -1.594 -0.365 1.00 1.36 C ATOM 0 H PHE B 39 -11.393 4.094 2.567 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.483 3.546 0.679 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.485 3.163 -0.324 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.667 2.813 1.186 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -13.357 1.195 -0.893 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.771 0.698 1.345 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -13.341 -1.196 -1.452 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.753 -1.694 0.789 1.00 1.48 H new ATOM 0 HZ PHE B 39 -11.538 -2.646 -0.609 1.00 1.36 H new ATOM 599 N LYS B 40 -12.913 1.382 3.113 1.00 0.41 N ATOM 600 CA LYS B 40 -13.502 0.258 3.832 1.00 0.44 C ATOM 601 C LYS B 40 -14.856 0.638 4.425 1.00 0.43 C ATOM 602 O LYS B 40 -15.685 -0.225 4.690 1.00 0.50 O ATOM 603 CB LYS B 40 -12.567 -0.226 4.939 1.00 0.52 C ATOM 604 CG LYS B 40 -12.302 -1.724 4.904 1.00 0.86 C ATOM 605 CD LYS B 40 -11.185 -2.074 3.934 1.00 0.97 C ATOM 606 CE LYS B 40 -10.819 -3.549 4.017 1.00 1.34 C ATOM 607 NZ LYS B 40 -9.530 -3.842 3.332 1.00 1.61 N ATOM 0 H LYS B 40 -12.024 1.708 3.492 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.650 -0.552 3.118 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.618 0.304 4.858 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.997 0.036 5.906 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.038 -2.071 5.903 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -13.213 -2.248 4.615 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -11.494 -1.831 2.917 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -10.307 -1.467 4.154 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -10.750 -3.847 5.063 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -11.613 -4.146 3.567 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -9.317 -4.857 3.412 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -9.603 -3.581 2.328 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -8.767 -3.293 3.777 1.00 1.61 H new ATOM 621 N LYS B 41 -15.075 1.934 4.617 1.00 0.40 N ATOM 622 CA LYS B 41 -16.327 2.415 5.174 1.00 0.45 C ATOM 623 C LYS B 41 -17.404 2.523 4.094 1.00 0.41 C ATOM 624 O LYS B 41 -18.560 2.821 4.383 1.00 0.48 O ATOM 625 CB LYS B 41 -16.119 3.764 5.863 1.00 0.53 C ATOM 626 CG LYS B 41 -17.122 4.036 6.973 1.00 0.66 C ATOM 627 CD LYS B 41 -16.712 5.225 7.825 1.00 0.77 C ATOM 628 CE LYS B 41 -17.525 5.297 9.109 1.00 0.94 C ATOM 629 NZ LYS B 41 -17.305 4.109 9.973 1.00 1.04 N ATOM 0 H LYS B 41 -14.401 2.667 4.395 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.668 1.693 5.916 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.111 3.801 6.277 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.187 4.558 5.119 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -18.104 4.222 6.538 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.215 3.152 7.604 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -15.652 5.152 8.068 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.846 6.145 7.256 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.257 6.200 9.658 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.584 5.376 8.864 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -17.569 4.338 10.952 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -17.889 3.319 9.632 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -16.302 3.837 9.940 1.00 1.04 H new ATOM 643 N ALA B 42 -17.022 2.288 2.844 1.00 0.32 N ATOM 644 CA ALA B 42 -17.973 2.349 1.740 1.00 0.29 C ATOM 645 C ALA B 42 -18.600 0.981 1.513 1.00 0.27 C ATOM 646 O ALA B 42 -19.517 0.833 0.711 1.00 0.41 O ATOM 647 CB ALA B 42 -17.305 2.856 0.459 1.00 0.31 C ATOM 0 H ALA B 42 -16.067 2.055 2.571 1.00 0.32 H new ATOM 0 HA ALA B 42 -18.758 3.057 2.006 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.040 2.890 -0.345 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -16.905 3.856 0.628 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.494 2.183 0.181 1.00 0.31 H new ATOM 653 N MET B 43 -18.103 -0.018 2.238 1.00 0.37 N ATOM 654 CA MET B 43 -18.610 -1.380 2.113 1.00 0.43 C ATOM 655 C MET B 43 -18.807 -2.025 3.480 1.00 0.48 C ATOM 656 O MET B 43 -18.856 -3.248 3.600 1.00 0.72 O ATOM 657 CB MET B 43 -17.642 -2.231 1.284 1.00 0.54 C ATOM 658 CG MET B 43 -17.402 -1.696 -0.121 1.00 0.75 C ATOM 659 SD MET B 43 -16.407 -2.813 -1.131 1.00 1.39 S ATOM 660 CE MET B 43 -15.054 -3.175 -0.011 1.00 1.21 C ATOM 0 H MET B 43 -17.350 0.091 2.918 1.00 0.37 H new ATOM 0 HA MET B 43 -19.576 -1.329 1.611 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.688 -2.293 1.807 1.00 0.54 H new ATOM 0 HB3 MET B 43 -18.033 -3.246 1.214 1.00 0.54 H new ATOM 0 HG2 MET B 43 -18.361 -1.528 -0.610 1.00 0.75 H new ATOM 0 HG3 MET B 43 -16.903 -0.729 -0.057 1.00 0.75 H new ATOM 0 HE1 MET B 43 -14.189 -3.511 -0.582 1.00 1.21 H new ATOM 0 HE2 MET B 43 -14.793 -2.276 0.547 1.00 1.21 H new ATOM 0 HE3 MET B 43 -15.356 -3.959 0.684 1.00 1.21 H new ATOM 670 N SER B 44 -18.915 -1.208 4.515 1.00 0.56 N ATOM 671 CA SER B 44 -19.087 -1.726 5.863 1.00 0.66 C ATOM 672 C SER B 44 -20.517 -1.537 6.374 1.00 0.66 C ATOM 673 O SER B 44 -20.980 -0.414 6.575 1.00 0.99 O ATOM 674 CB SER B 44 -18.085 -1.055 6.801 1.00 0.88 C ATOM 675 OG SER B 44 -18.061 0.348 6.606 1.00 1.35 O ATOM 0 H SER B 44 -18.887 -0.191 4.449 1.00 0.56 H new ATOM 0 HA SER B 44 -18.900 -2.800 5.838 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.347 -1.277 7.836 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.090 -1.466 6.629 1.00 0.88 H new ATOM 0 HG SER B 44 -18.977 0.679 6.499 1.00 1.35 H new ATOM 782 N ILE A 6 2.427 -9.620 -6.491 1.00 0.84 N ATOM 783 CA ILE A 6 2.645 -8.825 -5.278 1.00 0.75 C ATOM 784 C ILE A 6 4.033 -9.067 -4.680 1.00 0.65 C ATOM 785 O ILE A 6 4.714 -8.125 -4.272 1.00 0.61 O ATOM 786 CB ILE A 6 1.573 -9.140 -4.204 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.163 -9.048 -4.801 1.00 0.95 C ATOM 788 CG2 ILE A 6 1.705 -8.195 -3.015 1.00 0.79 C ATOM 789 CD1 ILE A 6 -0.180 -7.679 -5.356 1.00 0.96 C ATOM 0 HA ILE A 6 2.568 -7.779 -5.575 1.00 0.75 H new ATOM 0 HB ILE A 6 1.736 -10.160 -3.855 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.067 -9.787 -5.597 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.564 -9.311 -4.033 1.00 0.95 H new ATOM 0 HG21 ILE A 6 0.943 -8.434 -2.274 1.00 0.79 H new ATOM 0 HG22 ILE A 6 2.693 -8.307 -2.569 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.574 -7.167 -3.351 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -1.192 -7.693 -5.760 1.00 0.96 H new ATOM 0 HD12 ILE A 6 -0.118 -6.937 -4.560 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.523 -7.421 -6.148 1.00 0.96 H new ATOM 801 N TRP A 7 4.446 -10.331 -4.661 1.00 0.64 N ATOM 802 CA TRP A 7 5.742 -10.728 -4.112 1.00 0.60 C ATOM 803 C TRP A 7 6.897 -9.952 -4.752 1.00 0.56 C ATOM 804 O TRP A 7 7.615 -9.218 -4.073 1.00 0.54 O ATOM 805 CB TRP A 7 5.949 -12.228 -4.317 1.00 0.67 C ATOM 806 CG TRP A 7 6.407 -12.941 -3.087 1.00 0.64 C ATOM 807 CD1 TRP A 7 5.624 -13.594 -2.183 1.00 0.75 C ATOM 808 CD2 TRP A 7 7.753 -13.072 -2.626 1.00 0.65 C ATOM 809 NE1 TRP A 7 6.400 -14.126 -1.185 1.00 0.78 N ATOM 810 CE2 TRP A 7 7.714 -13.817 -1.433 1.00 0.71 C ATOM 811 CE3 TRP A 7 8.989 -12.631 -3.105 1.00 0.76 C ATOM 812 CZ2 TRP A 7 8.865 -14.130 -0.718 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.130 -12.942 -2.393 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.060 -13.687 -1.211 1.00 0.92 C ATOM 0 H TRP A 7 3.894 -11.108 -5.024 1.00 0.64 H new ATOM 0 HA TRP A 7 5.738 -10.494 -3.047 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.014 -12.672 -4.658 1.00 0.67 H new ATOM 0 HB3 TRP A 7 6.682 -12.380 -5.110 1.00 0.67 H new ATOM 0 HD1 TRP A 7 4.549 -13.680 -2.244 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.057 -14.663 -0.389 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.051 -12.056 -4.017 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 8.816 -14.704 0.196 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.091 -12.605 -2.754 1.00 0.91 H new ATOM 0 HH2 TRP A 7 10.970 -13.917 -0.677 1.00 0.92 H new ATOM 825 N GLN A 8 7.067 -10.119 -6.056 1.00 0.57 N ATOM 826 CA GLN A 8 8.135 -9.444 -6.781 1.00 0.59 C ATOM 827 C GLN A 8 7.934 -7.930 -6.792 1.00 0.58 C ATOM 828 O GLN A 8 8.903 -7.169 -6.765 1.00 0.59 O ATOM 829 CB GLN A 8 8.223 -9.979 -8.211 1.00 0.68 C ATOM 830 CG GLN A 8 8.518 -11.468 -8.280 1.00 0.79 C ATOM 831 CD GLN A 8 7.275 -12.305 -8.514 1.00 1.06 C ATOM 832 OE1 GLN A 8 6.565 -12.667 -7.577 1.00 1.49 O ATOM 833 NE2 GLN A 8 7.000 -12.613 -9.773 1.00 1.50 N ATOM 0 H GLN A 8 6.478 -10.717 -6.635 1.00 0.57 H new ATOM 0 HA GLN A 8 9.072 -9.651 -6.265 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.283 -9.778 -8.725 1.00 0.68 H new ATOM 0 HB3 GLN A 8 9.002 -9.436 -8.747 1.00 0.68 H new ATOM 0 HG2 GLN A 8 9.232 -11.655 -9.082 1.00 0.79 H new ATOM 0 HG3 GLN A 8 8.992 -11.783 -7.351 1.00 0.79 H new ATOM 0 HE21 GLN A 8 7.614 -12.293 -10.522 1.00 1.50 H new ATOM 0 HE22 GLN A 8 6.174 -13.170 -9.993 1.00 1.50 H new ATOM 842 N LEU A 9 6.676 -7.504 -6.820 1.00 0.60 N ATOM 843 CA LEU A 9 6.341 -6.084 -6.822 1.00 0.65 C ATOM 844 C LEU A 9 6.857 -5.410 -5.556 1.00 0.58 C ATOM 845 O LEU A 9 7.353 -4.285 -5.598 1.00 0.59 O ATOM 846 CB LEU A 9 4.824 -5.902 -6.928 1.00 0.74 C ATOM 847 CG LEU A 9 4.292 -5.488 -8.308 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.545 -4.010 -8.548 1.00 0.95 C ATOM 849 CD2 LEU A 9 4.920 -6.325 -9.416 1.00 1.02 C ATOM 0 H LEU A 9 5.867 -8.125 -6.842 1.00 0.60 H new ATOM 0 HA LEU A 9 6.818 -5.618 -7.684 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.345 -6.838 -6.641 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.516 -5.150 -6.201 1.00 0.74 H new ATOM 0 HG LEU A 9 3.217 -5.668 -8.324 1.00 0.94 H new ATOM 0 HD11 LEU A 9 4.163 -3.730 -9.530 1.00 0.95 H new ATOM 0 HD12 LEU A 9 4.038 -3.425 -7.781 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.616 -3.813 -8.506 1.00 0.95 H new ATOM 0 HD21 LEU A 9 4.523 -6.008 -10.381 1.00 1.02 H new ATOM 0 HD22 LEU A 9 6.001 -6.189 -9.406 1.00 1.02 H new ATOM 0 HD23 LEU A 9 4.685 -7.377 -9.255 1.00 1.02 H new ATOM 861 N LEU A 10 6.737 -6.112 -4.436 1.00 0.52 N ATOM 862 CA LEU A 10 7.192 -5.598 -3.152 1.00 0.46 C ATOM 863 C LEU A 10 8.702 -5.398 -3.154 1.00 0.41 C ATOM 864 O LEU A 10 9.195 -4.370 -2.699 1.00 0.38 O ATOM 865 CB LEU A 10 6.805 -6.552 -2.021 1.00 0.45 C ATOM 866 CG LEU A 10 6.214 -5.895 -0.766 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.642 -6.662 0.470 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.628 -4.435 -0.639 1.00 0.43 C ATOM 0 H LEU A 10 6.326 -7.044 -4.392 1.00 0.52 H new ATOM 0 HA LEU A 10 6.707 -4.636 -2.988 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.081 -7.269 -2.408 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.690 -7.118 -1.730 1.00 0.45 H new ATOM 0 HG LEU A 10 5.128 -5.924 -0.860 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.219 -6.189 1.356 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.286 -7.690 0.402 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.730 -6.659 0.542 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.188 -4.009 0.263 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.714 -4.369 -0.579 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.279 -3.881 -1.510 1.00 0.43 H new ATOM 880 N ILE A 11 9.428 -6.379 -3.683 1.00 0.41 N ATOM 881 CA ILE A 11 10.886 -6.314 -3.739 1.00 0.39 C ATOM 882 C ILE A 11 11.352 -5.051 -4.462 1.00 0.40 C ATOM 883 O ILE A 11 12.215 -4.327 -3.971 1.00 0.38 O ATOM 884 CB ILE A 11 11.477 -7.556 -4.436 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.048 -8.835 -3.712 1.00 0.48 C ATOM 886 CG2 ILE A 11 12.997 -7.467 -4.493 1.00 0.64 C ATOM 887 CD1 ILE A 11 11.431 -10.103 -4.446 1.00 0.99 C ATOM 0 H ILE A 11 9.030 -7.230 -4.080 1.00 0.41 H new ATOM 0 HA ILE A 11 11.246 -6.287 -2.710 1.00 0.39 H new ATOM 0 HB ILE A 11 11.093 -7.589 -5.456 1.00 0.44 H new ATOM 0 HG12 ILE A 11 11.498 -8.849 -2.719 1.00 0.48 H new ATOM 0 HG13 ILE A 11 9.967 -8.818 -3.572 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.395 -8.353 -4.988 1.00 0.64 H new ATOM 0 HG22 ILE A 11 13.289 -6.577 -5.051 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.396 -7.407 -3.480 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.096 -10.969 -3.875 1.00 0.99 H new ATOM 0 HD12 ILE A 11 10.959 -10.111 -5.429 1.00 0.99 H new ATOM 0 HD13 ILE A 11 12.514 -10.143 -4.563 1.00 0.99 H new ATOM 899 N ILE A 12 10.761 -4.778 -5.619 1.00 0.45 N ATOM 900 CA ILE A 12 11.121 -3.593 -6.388 1.00 0.46 C ATOM 901 C ILE A 12 10.725 -2.328 -5.622 1.00 0.44 C ATOM 902 O ILE A 12 11.464 -1.341 -5.608 1.00 0.44 O ATOM 903 CB ILE A 12 10.462 -3.592 -7.785 1.00 0.53 C ATOM 904 CG1 ILE A 12 10.629 -4.961 -8.455 1.00 0.54 C ATOM 905 CG2 ILE A 12 11.073 -2.501 -8.654 1.00 0.58 C ATOM 906 CD1 ILE A 12 9.825 -5.119 -9.729 1.00 0.61 C ATOM 0 H ILE A 12 10.036 -5.356 -6.043 1.00 0.45 H new ATOM 0 HA ILE A 12 12.201 -3.609 -6.531 1.00 0.46 H new ATOM 0 HB ILE A 12 9.397 -3.391 -7.668 1.00 0.53 H new ATOM 0 HG12 ILE A 12 11.684 -5.119 -8.680 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.333 -5.739 -7.751 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.600 -2.511 -9.636 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.914 -1.530 -8.184 1.00 0.58 H new ATOM 0 HG23 ILE A 12 12.142 -2.680 -8.765 1.00 0.58 H new ATOM 0 HD11 ILE A 12 9.994 -6.112 -10.145 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.765 -4.994 -9.508 1.00 0.61 H new ATOM 0 HD13 ILE A 12 10.136 -4.365 -10.452 1.00 0.61 H new ATOM 918 N ALA A 13 9.567 -2.380 -4.966 1.00 0.44 N ATOM 919 CA ALA A 13 9.072 -1.259 -4.170 1.00 0.45 C ATOM 920 C ALA A 13 10.061 -0.923 -3.069 1.00 0.39 C ATOM 921 O ALA A 13 10.445 0.228 -2.872 1.00 0.41 O ATOM 922 CB ALA A 13 7.731 -1.605 -3.528 1.00 0.49 C ATOM 0 H ALA A 13 8.951 -3.193 -4.971 1.00 0.44 H new ATOM 0 HA ALA A 13 8.948 -0.404 -4.835 1.00 0.45 H new ATOM 0 HB1 ALA A 13 7.380 -0.757 -2.940 1.00 0.49 H new ATOM 0 HB2 ALA A 13 7.003 -1.833 -4.306 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.851 -2.472 -2.879 1.00 0.49 H new ATOM 928 N VAL A 14 10.473 -1.971 -2.389 1.00 0.34 N ATOM 929 CA VAL A 14 11.395 -1.907 -1.272 1.00 0.29 C ATOM 930 C VAL A 14 12.736 -1.273 -1.650 1.00 0.29 C ATOM 931 O VAL A 14 13.307 -0.513 -0.868 1.00 0.31 O ATOM 932 CB VAL A 14 11.578 -3.339 -0.717 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.828 -3.491 0.141 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.335 -3.736 0.064 1.00 0.27 C ATOM 0 H VAL A 14 10.167 -2.920 -2.603 1.00 0.34 H new ATOM 0 HA VAL A 14 10.976 -1.258 -0.503 1.00 0.29 H new ATOM 0 HB VAL A 14 11.715 -4.008 -1.567 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.900 -4.518 0.500 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.709 -3.252 -0.454 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.770 -2.812 0.992 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.459 -4.745 0.457 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.187 -3.040 0.890 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.467 -3.708 -0.595 1.00 0.27 H new ATOM 944 N ILE A 15 13.225 -1.558 -2.850 1.00 0.30 N ATOM 945 CA ILE A 15 14.500 -1.000 -3.293 1.00 0.32 C ATOM 946 C ILE A 15 14.334 0.428 -3.811 1.00 0.33 C ATOM 947 O ILE A 15 15.213 1.274 -3.636 1.00 0.34 O ATOM 948 CB ILE A 15 15.155 -1.865 -4.396 1.00 0.37 C ATOM 949 CG1 ILE A 15 15.266 -3.320 -3.937 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.532 -1.319 -4.756 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.635 -4.282 -5.047 1.00 0.42 C ATOM 0 H ILE A 15 12.766 -2.165 -3.529 1.00 0.30 H new ATOM 0 HA ILE A 15 15.152 -0.992 -2.419 1.00 0.32 H new ATOM 0 HB ILE A 15 14.524 -1.826 -5.284 1.00 0.37 H new ATOM 0 HG12 ILE A 15 16.014 -3.386 -3.147 1.00 0.36 H new ATOM 0 HG13 ILE A 15 14.315 -3.628 -3.502 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.978 -1.940 -5.533 1.00 0.41 H new ATOM 0 HG22 ILE A 15 16.434 -0.296 -5.120 1.00 0.41 H new ATOM 0 HG23 ILE A 15 17.170 -1.330 -3.872 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.695 -5.294 -4.646 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.875 -4.245 -5.828 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.601 -4.000 -5.467 1.00 0.42 H new ATOM 963 N VAL A 16 13.192 0.695 -4.420 1.00 0.35 N ATOM 964 CA VAL A 16 12.895 2.006 -4.992 1.00 0.38 C ATOM 965 C VAL A 16 12.892 3.120 -3.936 1.00 0.36 C ATOM 966 O VAL A 16 13.241 4.267 -4.228 1.00 0.38 O ATOM 967 CB VAL A 16 11.532 1.970 -5.735 1.00 0.44 C ATOM 968 CG1 VAL A 16 10.639 3.153 -5.367 1.00 0.51 C ATOM 969 CG2 VAL A 16 11.748 1.915 -7.236 1.00 0.47 C ATOM 0 H VAL A 16 12.442 0.013 -4.534 1.00 0.35 H new ATOM 0 HA VAL A 16 13.692 2.235 -5.700 1.00 0.38 H new ATOM 0 HB VAL A 16 11.015 1.066 -5.415 1.00 0.44 H new ATOM 0 HG11 VAL A 16 9.698 3.082 -5.913 1.00 0.51 H new ATOM 0 HG12 VAL A 16 10.439 3.139 -4.296 1.00 0.51 H new ATOM 0 HG13 VAL A 16 11.142 4.084 -5.630 1.00 0.51 H new ATOM 0 HG21 VAL A 16 10.783 1.890 -7.742 1.00 0.47 H new ATOM 0 HG22 VAL A 16 12.303 2.797 -7.556 1.00 0.47 H new ATOM 0 HG23 VAL A 16 12.314 1.018 -7.490 1.00 0.47 H new ATOM 979 N VAL A 17 12.528 2.779 -2.710 1.00 0.33 N ATOM 980 CA VAL A 17 12.449 3.769 -1.646 1.00 0.33 C ATOM 981 C VAL A 17 13.785 4.439 -1.336 1.00 0.33 C ATOM 982 O VAL A 17 13.839 5.663 -1.188 1.00 0.37 O ATOM 983 CB VAL A 17 11.867 3.192 -0.360 1.00 0.33 C ATOM 984 CG1 VAL A 17 11.404 4.318 0.540 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.727 2.229 -0.643 1.00 0.35 C ATOM 0 H VAL A 17 12.284 1.830 -2.427 1.00 0.33 H new ATOM 0 HA VAL A 17 11.774 4.532 -2.034 1.00 0.33 H new ATOM 0 HB VAL A 17 12.650 2.626 0.145 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.989 3.903 1.458 1.00 0.36 H new ATOM 0 HG12 VAL A 17 12.250 4.961 0.783 1.00 0.36 H new ATOM 0 HG13 VAL A 17 10.640 4.902 0.028 1.00 0.36 H new ATOM 0 HG21 VAL A 17 10.338 1.839 0.298 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.932 2.752 -1.175 1.00 0.35 H new ATOM 0 HG23 VAL A 17 11.091 1.404 -1.255 1.00 0.35 H new ATOM 995 N LEU A 18 14.859 3.666 -1.258 1.00 0.31 N ATOM 996 CA LEU A 18 16.167 4.239 -0.942 1.00 0.34 C ATOM 997 C LEU A 18 16.753 4.942 -2.158 1.00 0.36 C ATOM 998 O LEU A 18 17.667 5.754 -2.038 1.00 0.40 O ATOM 999 CB LEU A 18 17.152 3.182 -0.418 1.00 0.34 C ATOM 1000 CG LEU A 18 17.249 1.883 -1.229 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.690 1.422 -1.294 1.00 0.39 C ATOM 1002 CD2 LEU A 18 16.391 0.784 -0.621 1.00 0.30 C ATOM 0 H LEU A 18 14.856 2.657 -1.406 1.00 0.31 H new ATOM 0 HA LEU A 18 16.012 4.968 -0.147 1.00 0.34 H new ATOM 0 HB2 LEU A 18 18.144 3.632 -0.372 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.870 2.927 0.604 1.00 0.34 H new ATOM 0 HG LEU A 18 16.881 2.088 -2.234 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.751 0.499 -1.871 1.00 0.39 H new ATOM 0 HD12 LEU A 18 19.297 2.191 -1.773 1.00 0.39 H new ATOM 0 HD13 LEU A 18 19.061 1.244 -0.285 1.00 0.39 H new ATOM 0 HD21 LEU A 18 16.483 -0.122 -1.220 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.726 0.582 0.397 1.00 0.30 H new ATOM 0 HD23 LEU A 18 15.349 1.104 -0.604 1.00 0.30 H new ATOM 1014 N LEU A 19 16.194 4.648 -3.320 1.00 0.36 N ATOM 1015 CA LEU A 19 16.660 5.243 -4.565 1.00 0.40 C ATOM 1016 C LEU A 19 16.176 6.680 -4.703 1.00 0.41 C ATOM 1017 O LEU A 19 16.854 7.517 -5.298 1.00 0.45 O ATOM 1018 CB LEU A 19 16.171 4.430 -5.769 1.00 0.41 C ATOM 1019 CG LEU A 19 16.615 2.966 -5.812 1.00 0.44 C ATOM 1020 CD1 LEU A 19 16.365 2.371 -7.191 1.00 0.47 C ATOM 1021 CD2 LEU A 19 18.080 2.833 -5.430 1.00 0.47 C ATOM 0 H LEU A 19 15.415 3.999 -3.429 1.00 0.36 H new ATOM 0 HA LEU A 19 17.750 5.237 -4.541 1.00 0.40 H new ATOM 0 HB2 LEU A 19 15.082 4.460 -5.785 1.00 0.41 H new ATOM 0 HB3 LEU A 19 16.516 4.921 -6.679 1.00 0.41 H new ATOM 0 HG LEU A 19 16.023 2.410 -5.085 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.687 1.330 -7.202 1.00 0.47 H new ATOM 0 HD12 LEU A 19 15.301 2.424 -7.423 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.927 2.932 -7.937 1.00 0.47 H new ATOM 0 HD21 LEU A 19 18.372 1.784 -5.468 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.691 3.405 -6.128 1.00 0.47 H new ATOM 0 HD23 LEU A 19 18.229 3.215 -4.420 1.00 0.47 H new ATOM 1033 N PHE A 20 15.000 6.964 -4.157 1.00 0.40 N ATOM 1034 CA PHE A 20 14.429 8.301 -4.258 1.00 0.44 C ATOM 1035 C PHE A 20 14.369 8.996 -2.906 1.00 0.47 C ATOM 1036 O PHE A 20 13.767 10.061 -2.772 1.00 0.51 O ATOM 1037 CB PHE A 20 13.037 8.233 -4.883 1.00 0.45 C ATOM 1038 CG PHE A 20 12.996 7.412 -6.140 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.930 7.611 -7.144 1.00 1.06 C ATOM 1040 CD2 PHE A 20 12.030 6.437 -6.314 1.00 1.07 C ATOM 1041 CE1 PHE A 20 13.900 6.852 -8.297 1.00 1.12 C ATOM 1042 CE2 PHE A 20 11.994 5.676 -7.465 1.00 1.05 C ATOM 1043 CZ PHE A 20 12.931 5.883 -8.458 1.00 0.53 C ATOM 0 H PHE A 20 14.428 6.293 -3.644 1.00 0.40 H new ATOM 0 HA PHE A 20 15.083 8.892 -4.900 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.340 7.812 -4.158 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.695 9.244 -5.105 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.690 8.369 -7.023 1.00 1.06 H new ATOM 0 HD2 PHE A 20 11.295 6.269 -5.540 1.00 1.07 H new ATOM 0 HE1 PHE A 20 14.634 7.017 -9.072 1.00 1.12 H new ATOM 0 HE2 PHE A 20 11.234 4.919 -7.589 1.00 1.05 H new ATOM 0 HZ PHE A 20 12.905 5.288 -9.359 1.00 0.53 H new ATOM 1053 N GLY A 21 14.977 8.379 -1.903 1.00 0.49 N ATOM 1054 CA GLY A 21 15.010 8.967 -0.576 1.00 0.55 C ATOM 1055 C GLY A 21 13.629 9.194 0.014 1.00 0.56 C ATOM 1056 O GLY A 21 13.402 10.194 0.688 1.00 0.65 O ATOM 0 H GLY A 21 15.450 7.479 -1.983 1.00 0.49 H new ATOM 0 HA2 GLY A 21 15.579 8.317 0.088 1.00 0.55 H new ATOM 0 HA3 GLY A 21 15.540 9.919 -0.621 1.00 0.55 H new ATOM 1060 N THR A 22 12.709 8.266 -0.273 1.00 0.54 N ATOM 1061 CA THR A 22 11.320 8.293 0.227 1.00 0.61 C ATOM 1062 C THR A 22 10.490 9.475 -0.292 1.00 0.71 C ATOM 1063 O THR A 22 9.277 9.521 -0.064 1.00 1.26 O ATOM 1064 CB THR A 22 11.254 8.277 1.777 1.00 0.71 C ATOM 1065 OG1 THR A 22 11.540 9.571 2.317 1.00 1.46 O ATOM 1066 CG2 THR A 22 12.233 7.270 2.357 1.00 0.60 C ATOM 0 H THR A 22 12.906 7.461 -0.868 1.00 0.54 H new ATOM 0 HA THR A 22 10.879 7.379 -0.170 1.00 0.61 H new ATOM 0 HB THR A 22 10.239 7.989 2.052 1.00 0.71 H new ATOM 0 HG1 THR A 22 12.423 9.866 2.010 1.00 1.46 H new ATOM 0 HG21 THR A 22 12.165 7.281 3.445 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.991 6.273 1.988 1.00 0.60 H new ATOM 0 HG23 THR A 22 13.247 7.532 2.055 1.00 0.60 H new ATOM 1074 N LYS A 23 11.124 10.399 -1.007 1.00 0.38 N ATOM 1075 CA LYS A 23 10.441 11.582 -1.523 1.00 0.45 C ATOM 1076 C LYS A 23 9.243 11.235 -2.407 1.00 0.47 C ATOM 1077 O LYS A 23 8.125 11.682 -2.146 1.00 0.81 O ATOM 1078 CB LYS A 23 11.424 12.457 -2.303 1.00 0.49 C ATOM 1079 CG LYS A 23 12.463 13.120 -1.421 1.00 0.56 C ATOM 1080 CD LYS A 23 13.394 14.005 -2.227 1.00 0.77 C ATOM 1081 CE LYS A 23 14.417 14.672 -1.328 1.00 0.99 C ATOM 1082 NZ LYS A 23 15.333 15.561 -2.087 1.00 1.33 N ATOM 0 H LYS A 23 12.115 10.351 -1.244 1.00 0.38 H new ATOM 0 HA LYS A 23 10.058 12.128 -0.661 1.00 0.45 H new ATOM 0 HB2 LYS A 23 11.929 11.846 -3.052 1.00 0.49 H new ATOM 0 HB3 LYS A 23 10.869 13.226 -2.840 1.00 0.49 H new ATOM 0 HG2 LYS A 23 11.965 13.716 -0.656 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.043 12.356 -0.903 1.00 0.56 H new ATOM 0 HD2 LYS A 23 13.903 13.410 -2.985 1.00 0.77 H new ATOM 0 HD3 LYS A 23 12.816 14.765 -2.753 1.00 0.77 H new ATOM 0 HE2 LYS A 23 13.902 15.252 -0.562 1.00 0.99 H new ATOM 0 HE3 LYS A 23 14.999 13.908 -0.812 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 16.015 15.996 -1.434 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.844 15.004 -2.801 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 14.782 16.306 -2.558 1.00 1.33 H new ATOM 1096 N LYS A 24 9.475 10.440 -3.445 1.00 0.42 N ATOM 1097 CA LYS A 24 8.406 10.071 -4.370 1.00 0.45 C ATOM 1098 C LYS A 24 7.232 9.405 -3.656 1.00 0.47 C ATOM 1099 O LYS A 24 6.101 9.870 -3.769 1.00 0.77 O ATOM 1100 CB LYS A 24 8.924 9.153 -5.480 1.00 0.50 C ATOM 1101 CG LYS A 24 9.922 9.814 -6.430 1.00 0.58 C ATOM 1102 CD LYS A 24 9.423 11.154 -6.969 1.00 0.73 C ATOM 1103 CE LYS A 24 8.155 11.003 -7.799 1.00 1.14 C ATOM 1104 NZ LYS A 24 7.645 12.319 -8.278 1.00 1.36 N ATOM 0 H LYS A 24 10.386 10.040 -3.668 1.00 0.42 H new ATOM 0 HA LYS A 24 8.049 11.000 -4.815 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.396 8.283 -5.024 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.076 8.789 -6.059 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.868 9.966 -5.909 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.122 9.143 -7.265 1.00 0.58 H new ATOM 0 HD2 LYS A 24 9.232 11.830 -6.136 1.00 0.73 H new ATOM 0 HD3 LYS A 24 10.202 11.612 -7.579 1.00 0.73 H new ATOM 0 HE2 LYS A 24 8.356 10.358 -8.655 1.00 1.14 H new ATOM 0 HE3 LYS A 24 7.387 10.511 -7.202 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 6.781 12.173 -8.839 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 7.429 12.926 -7.461 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 8.368 12.777 -8.869 1.00 1.36 H new ATOM 1118 N LEU A 25 7.501 8.337 -2.908 1.00 0.40 N ATOM 1119 CA LEU A 25 6.438 7.612 -2.202 1.00 0.41 C ATOM 1120 C LEU A 25 5.636 8.534 -1.293 1.00 0.36 C ATOM 1121 O LEU A 25 4.409 8.529 -1.323 1.00 0.42 O ATOM 1122 CB LEU A 25 7.002 6.460 -1.366 1.00 0.50 C ATOM 1123 CG LEU A 25 7.946 5.505 -2.095 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.387 5.870 -1.800 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.673 4.065 -1.682 1.00 0.43 C ATOM 0 H LEU A 25 8.437 7.954 -2.773 1.00 0.40 H new ATOM 0 HA LEU A 25 5.780 7.209 -2.972 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.532 6.882 -0.512 1.00 0.50 H new ATOM 0 HB3 LEU A 25 6.167 5.882 -0.969 1.00 0.50 H new ATOM 0 HG LEU A 25 7.771 5.596 -3.167 1.00 0.41 H new ATOM 0 HD11 LEU A 25 10.051 5.183 -2.325 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.580 6.889 -2.136 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.568 5.801 -0.727 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.355 3.399 -2.211 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.824 3.960 -0.608 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.644 3.804 -1.931 1.00 0.43 H new ATOM 1137 N GLY A 26 6.337 9.333 -0.498 1.00 0.39 N ATOM 1138 CA GLY A 26 5.677 10.237 0.424 1.00 0.48 C ATOM 1139 C GLY A 26 4.802 11.278 -0.256 1.00 0.46 C ATOM 1140 O GLY A 26 3.856 11.779 0.348 1.00 0.69 O ATOM 0 H GLY A 26 7.356 9.371 -0.476 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.064 9.655 1.112 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.433 10.746 1.022 1.00 0.48 H new ATOM 1144 N SER A 27 5.094 11.596 -1.511 1.00 0.37 N ATOM 1145 CA SER A 27 4.324 12.610 -2.217 1.00 0.40 C ATOM 1146 C SER A 27 3.247 11.998 -3.117 1.00 0.41 C ATOM 1147 O SER A 27 2.056 12.117 -2.835 1.00 0.45 O ATOM 1148 CB SER A 27 5.261 13.498 -3.038 1.00 0.49 C ATOM 1149 OG SER A 27 6.419 13.835 -2.296 1.00 0.78 O ATOM 0 H SER A 27 5.847 11.173 -2.054 1.00 0.37 H new ATOM 0 HA SER A 27 3.811 13.214 -1.468 1.00 0.40 H new ATOM 0 HB2 SER A 27 5.549 12.981 -3.953 1.00 0.49 H new ATOM 0 HB3 SER A 27 4.738 14.407 -3.336 1.00 0.49 H new ATOM 0 HG SER A 27 7.044 13.080 -2.304 1.00 0.78 H new ATOM 1155 N ILE A 28 3.669 11.324 -4.189 1.00 0.44 N ATOM 1156 CA ILE A 28 2.728 10.725 -5.132 1.00 0.52 C ATOM 1157 C ILE A 28 1.833 9.684 -4.454 1.00 0.51 C ATOM 1158 O ILE A 28 0.683 9.489 -4.853 1.00 0.55 O ATOM 1159 CB ILE A 28 3.454 10.099 -6.351 1.00 0.65 C ATOM 1160 CG1 ILE A 28 2.452 9.767 -7.461 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.240 8.860 -5.949 1.00 0.85 C ATOM 1162 CD1 ILE A 28 3.085 9.183 -8.707 1.00 1.52 C ATOM 0 H ILE A 28 4.651 11.181 -4.423 1.00 0.44 H new ATOM 0 HA ILE A 28 2.094 11.534 -5.495 1.00 0.52 H new ATOM 0 HB ILE A 28 4.163 10.834 -6.732 1.00 0.65 H new ATOM 0 HG12 ILE A 28 1.717 9.061 -7.074 1.00 1.36 H new ATOM 0 HG13 ILE A 28 1.911 10.674 -7.731 1.00 1.36 H new ATOM 0 HG21 ILE A 28 4.737 8.444 -6.825 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.986 9.129 -5.202 1.00 0.85 H new ATOM 0 HG23 ILE A 28 3.560 8.117 -5.532 1.00 0.85 H new ATOM 0 HD11 ILE A 28 2.311 8.975 -9.445 1.00 1.52 H new ATOM 0 HD12 ILE A 28 3.799 9.895 -9.121 1.00 1.52 H new ATOM 0 HD13 ILE A 28 3.602 8.258 -8.453 1.00 1.52 H new ATOM 1174 N GLY A 29 2.349 9.038 -3.414 1.00 0.50 N ATOM 1175 CA GLY A 29 1.570 8.043 -2.703 1.00 0.52 C ATOM 1176 C GLY A 29 0.386 8.657 -1.985 1.00 0.46 C ATOM 1177 O GLY A 29 -0.690 8.070 -1.933 1.00 0.51 O ATOM 0 H GLY A 29 3.291 9.186 -3.052 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.216 7.289 -3.406 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.207 7.532 -1.981 1.00 0.52 H new ATOM 1181 N SER A 30 0.587 9.850 -1.447 1.00 0.41 N ATOM 1182 CA SER A 30 -0.461 10.559 -0.732 1.00 0.41 C ATOM 1183 C SER A 30 -1.538 11.023 -1.707 1.00 0.39 C ATOM 1184 O SER A 30 -2.734 10.820 -1.473 1.00 0.42 O ATOM 1185 CB SER A 30 0.146 11.751 0.019 1.00 0.43 C ATOM 1186 OG SER A 30 -0.836 12.714 0.372 1.00 0.95 O ATOM 0 H SER A 30 1.475 10.350 -1.493 1.00 0.41 H new ATOM 0 HA SER A 30 -0.924 9.889 -0.008 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.645 11.395 0.920 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.908 12.221 -0.603 1.00 0.43 H new ATOM 0 HG SER A 30 -1.457 12.325 1.023 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.097 11.620 -2.811 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.005 12.110 -3.846 1.00 0.42 C ATOM 1194 C ASP A 31 -2.899 10.982 -4.363 1.00 0.41 C ATOM 1195 O ASP A 31 -4.124 11.119 -4.419 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.218 12.721 -5.011 1.00 0.47 C ATOM 1197 CG ASP A 31 -1.018 14.219 -4.868 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.004 14.972 -5.015 1.00 1.29 O ATOM 1199 OD2 ASP A 31 0.130 14.645 -4.623 1.00 1.28 O ATOM 0 H ASP A 31 -0.110 11.777 -3.013 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.634 12.881 -3.400 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.245 12.235 -5.080 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -1.743 12.517 -5.944 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.285 9.863 -4.734 1.00 0.39 N ATOM 1205 CA LEU A 32 -3.035 8.714 -5.234 1.00 0.41 C ATOM 1206 C LEU A 32 -3.837 8.069 -4.115 1.00 0.38 C ATOM 1207 O LEU A 32 -4.918 7.525 -4.346 1.00 0.40 O ATOM 1208 CB LEU A 32 -2.098 7.686 -5.867 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.485 8.128 -7.194 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.367 7.191 -7.614 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -2.551 8.207 -8.283 1.00 1.28 C ATOM 0 H LEU A 32 -1.275 9.727 -4.699 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.725 9.071 -5.999 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.294 7.463 -5.165 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.649 6.759 -6.025 1.00 0.44 H new ATOM 0 HG LEU A 32 -1.062 9.123 -7.053 1.00 0.64 H new ATOM 0 HD11 LEU A 32 0.053 7.528 -8.562 1.00 1.09 H new ATOM 0 HD12 LEU A 32 0.412 7.190 -6.852 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.762 6.182 -7.730 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -2.092 8.524 -9.219 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -3.008 7.227 -8.416 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -3.316 8.927 -7.992 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.314 8.156 -2.903 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.990 7.587 -1.758 1.00 0.38 C ATOM 1225 C GLY A 33 -5.327 8.238 -1.521 1.00 0.35 C ATOM 1226 O GLY A 33 -6.347 7.566 -1.388 1.00 0.37 O ATOM 0 H GLY A 33 -2.427 8.614 -2.691 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.128 6.517 -1.912 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.366 7.704 -0.872 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.334 9.557 -1.511 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.559 10.303 -1.291 1.00 0.37 C ATOM 1232 C ALA A 34 -7.508 10.166 -2.478 1.00 0.37 C ATOM 1233 O ALA A 34 -8.682 10.520 -2.394 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.239 11.753 -1.009 1.00 0.41 C ATOM 0 H ALA A 34 -4.505 10.135 -1.653 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.067 9.887 -0.421 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.165 12.305 -0.845 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.614 11.821 -0.119 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -5.708 12.180 -1.859 1.00 0.41 H new ATOM 1240 N SER A 35 -6.991 9.652 -3.582 1.00 0.33 N ATOM 1241 CA SER A 35 -7.795 9.439 -4.771 1.00 0.35 C ATOM 1242 C SER A 35 -8.472 8.071 -4.697 1.00 0.34 C ATOM 1243 O SER A 35 -9.628 7.910 -5.097 1.00 0.38 O ATOM 1244 CB SER A 35 -6.920 9.533 -6.023 1.00 0.38 C ATOM 1245 OG SER A 35 -6.241 10.779 -6.080 1.00 0.41 O ATOM 0 H SER A 35 -6.014 9.374 -3.678 1.00 0.33 H new ATOM 0 HA SER A 35 -8.562 10.211 -4.827 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.194 8.720 -6.025 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.538 9.411 -6.912 1.00 0.38 H new ATOM 0 HG SER A 35 -5.533 10.797 -5.403 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.751 7.094 -4.145 1.00 0.35 N ATOM 1252 CA ILE A 36 -8.273 5.742 -4.011 1.00 0.39 C ATOM 1253 C ILE A 36 -9.446 5.708 -3.033 1.00 0.33 C ATOM 1254 O ILE A 36 -10.374 4.917 -3.196 1.00 0.36 O ATOM 1255 CB ILE A 36 -7.172 4.733 -3.563 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -7.538 3.321 -4.023 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.954 4.753 -2.050 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -7.258 3.066 -5.487 1.00 0.94 C ATOM 0 H ILE A 36 -6.805 7.218 -3.785 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.623 5.436 -4.997 1.00 0.39 H new ATOM 0 HB ILE A 36 -6.236 5.039 -4.031 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -6.983 2.598 -3.425 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -8.597 3.149 -3.829 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.178 4.035 -1.785 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.645 5.751 -1.740 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.883 4.487 -1.545 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -7.543 2.045 -5.739 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -7.834 3.764 -6.095 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -6.195 3.205 -5.684 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.418 6.593 -2.037 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.481 6.647 -1.039 1.00 0.34 C ATOM 1272 C LYS A 37 -11.758 7.234 -1.630 1.00 0.31 C ATOM 1273 O LYS A 37 -12.834 7.083 -1.063 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.042 7.456 0.187 1.00 0.40 C ATOM 1275 CG LYS A 37 -9.951 8.953 -0.053 1.00 0.39 C ATOM 1276 CD LYS A 37 -9.678 9.713 1.236 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.630 11.212 0.989 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.442 11.984 2.247 1.00 0.68 N ATOM 0 H LYS A 37 -8.674 7.278 -1.902 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.688 5.625 -0.722 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -10.744 7.272 1.000 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.069 7.093 0.518 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.158 9.159 -0.772 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -10.882 9.308 -0.495 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.455 9.487 1.967 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -8.732 9.381 1.664 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -8.816 11.439 0.301 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.554 11.528 0.505 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.415 13.001 2.030 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -10.232 11.789 2.895 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.547 11.703 2.697 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.629 7.913 -2.761 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.784 8.495 -3.409 1.00 0.32 C ATOM 1294 C GLY A 38 -13.362 7.562 -4.447 1.00 0.31 C ATOM 1295 O GLY A 38 -14.570 7.328 -4.487 1.00 0.34 O ATOM 0 H GLY A 38 -10.743 8.071 -3.241 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.544 8.727 -2.662 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.503 9.437 -3.880 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.485 7.010 -5.271 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.880 6.089 -6.330 1.00 0.45 C ATOM 1301 C PHE A 39 -13.497 4.815 -5.757 1.00 0.35 C ATOM 1302 O PHE A 39 -14.526 4.341 -6.236 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.655 5.767 -7.200 1.00 0.64 C ATOM 1304 CG PHE A 39 -11.632 4.375 -7.777 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -12.502 4.005 -8.789 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -10.730 3.439 -7.301 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -12.473 2.727 -9.315 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -10.696 2.160 -7.823 1.00 1.39 C ATOM 1309 CZ PHE A 39 -11.569 1.803 -8.828 1.00 1.48 C ATOM 0 H PHE A 39 -11.481 7.186 -5.226 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.644 6.563 -6.946 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.611 6.485 -8.019 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.755 5.911 -6.602 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -13.212 4.724 -9.172 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -10.045 3.712 -6.512 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -13.156 2.451 -10.105 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.986 1.440 -7.444 1.00 1.39 H new ATOM 0 HZ PHE A 39 -11.546 0.803 -9.234 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.881 4.277 -4.716 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.360 3.046 -4.098 1.00 0.30 C ATOM 1321 C LYS A 40 -14.544 3.303 -3.177 1.00 0.32 C ATOM 1322 O LYS A 40 -15.148 2.369 -2.659 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.224 2.372 -3.337 1.00 0.41 C ATOM 1324 CG LYS A 40 -12.025 0.910 -3.706 1.00 0.86 C ATOM 1325 CD LYS A 40 -10.785 0.700 -4.559 1.00 0.94 C ATOM 1326 CE LYS A 40 -10.397 -0.771 -4.616 1.00 1.41 C ATOM 1327 NZ LYS A 40 -9.225 -1.007 -5.500 1.00 1.48 N ATOM 0 H LYS A 40 -12.048 4.672 -4.280 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.704 2.381 -4.890 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.298 2.915 -3.527 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.422 2.444 -2.268 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -11.944 0.315 -2.797 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.901 0.550 -4.246 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -10.968 1.070 -5.568 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -9.958 1.281 -4.152 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -10.169 -1.124 -3.610 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -11.244 -1.355 -4.975 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -8.996 -2.021 -5.509 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -9.450 -0.694 -6.466 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -8.408 -0.471 -5.144 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.873 4.568 -2.972 1.00 0.28 N ATOM 1342 CA LYS A 41 -15.996 4.917 -2.124 1.00 0.35 C ATOM 1343 C LYS A 41 -17.266 5.025 -2.954 1.00 0.38 C ATOM 1344 O LYS A 41 -18.375 4.998 -2.422 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.728 6.231 -1.393 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.712 6.512 -0.271 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.236 7.647 0.619 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.022 7.692 1.918 1.00 1.03 C ATOM 1349 NZ LYS A 41 -16.993 6.387 2.633 1.00 1.15 N ATOM 0 H LYS A 41 -14.381 5.364 -3.379 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.127 4.130 -1.381 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.718 6.210 -0.983 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.764 7.051 -2.111 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.685 6.764 -0.694 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -16.848 5.612 0.328 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.175 7.522 0.837 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -16.344 8.595 0.093 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -16.611 8.468 2.564 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.055 7.967 1.707 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -17.165 6.543 3.647 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -17.732 5.764 2.249 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -16.062 5.941 2.504 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.099 5.126 -4.264 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.240 5.250 -5.152 1.00 0.54 C ATOM 1365 C ALA A 42 -18.794 3.888 -5.535 1.00 0.55 C ATOM 1366 O ALA A 42 -19.978 3.754 -5.838 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.865 6.041 -6.397 1.00 0.61 C ATOM 0 H ALA A 42 -16.192 5.124 -4.731 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.021 5.790 -4.617 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.733 6.124 -7.051 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.532 7.038 -6.108 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.061 5.529 -6.925 1.00 0.61 H new ATOM 1373 N MET A 43 -17.947 2.877 -5.518 1.00 0.51 N ATOM 1374 CA MET A 43 -18.379 1.531 -5.858 1.00 0.58 C ATOM 1375 C MET A 43 -18.828 0.790 -4.604 1.00 0.58 C ATOM 1376 O MET A 43 -18.363 -0.314 -4.314 1.00 0.83 O ATOM 1377 CB MET A 43 -17.260 0.765 -6.567 1.00 0.76 C ATOM 1378 CG MET A 43 -16.945 1.292 -7.961 1.00 0.88 C ATOM 1379 SD MET A 43 -15.995 0.123 -8.954 1.00 0.98 S ATOM 1380 CE MET A 43 -14.583 -0.158 -7.890 1.00 1.01 C ATOM 0 H MET A 43 -16.960 2.959 -5.274 1.00 0.51 H new ATOM 0 HA MET A 43 -19.225 1.601 -6.542 1.00 0.58 H new ATOM 0 HB2 MET A 43 -16.357 0.812 -5.958 1.00 0.76 H new ATOM 0 HB3 MET A 43 -17.541 -0.286 -6.640 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.877 1.525 -8.475 1.00 0.88 H new ATOM 0 HG3 MET A 43 -16.388 2.225 -7.874 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.808 -0.685 -8.446 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.193 0.799 -7.542 1.00 1.01 H new ATOM 0 HE3 MET A 43 -14.887 -0.759 -7.033 1.00 1.01 H new ATOM 1390 N SER A 44 -19.734 1.410 -3.866 1.00 0.62 N ATOM 1391 CA SER A 44 -20.252 0.837 -2.640 1.00 0.76 C ATOM 1392 C SER A 44 -21.246 -0.284 -2.939 1.00 0.65 C ATOM 1393 O SER A 44 -22.444 -0.040 -3.090 1.00 0.73 O ATOM 1394 CB SER A 44 -20.914 1.940 -1.804 1.00 1.02 C ATOM 1395 OG SER A 44 -21.672 2.811 -2.632 1.00 1.20 O ATOM 0 H SER A 44 -20.128 2.321 -4.101 1.00 0.62 H new ATOM 0 HA SER A 44 -19.427 0.404 -2.074 1.00 0.76 H new ATOM 0 HB2 SER A 44 -21.561 1.493 -1.050 1.00 1.02 H new ATOM 0 HB3 SER A 44 -20.151 2.508 -1.273 1.00 1.02 H new ATOM 0 HG SER A 44 -22.278 2.284 -3.193 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.735 -1.502 -3.067 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.581 -2.661 -3.332 1.00 0.76 C ATOM 1403 C ASP A 45 -21.638 -3.541 -2.092 1.00 0.90 C ATOM 1404 O ASP A 45 -22.375 -4.527 -2.042 1.00 1.22 O ATOM 1405 CB ASP A 45 -21.060 -3.458 -4.533 1.00 0.95 C ATOM 1406 CG ASP A 45 -22.159 -4.234 -5.233 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -23.229 -3.644 -5.496 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -21.950 -5.425 -5.542 1.00 1.63 O ATOM 0 H ASP A 45 -19.740 -1.714 -2.992 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.586 -2.315 -3.574 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -20.592 -2.776 -5.243 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -20.287 -4.150 -4.199 1.00 0.95 H new