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= 0.955 K(o=0.96,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot 150:sc= -0.578 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= 0.0287 USER MOD Single : A 30 SER OG : rot 104:sc= 1.23 USER MOD Single : A 35 SER OG : rot 83:sc= 0.952 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+ 138:sc= -0.0341 (180deg=-0.354) USER MOD Single : A 43 MET CE :methyl -165:sc= -1.13 (180deg=-1.49) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0654 USER MOD Single : B 8 GLN : amide:sc= 0.539 K(o=0.54,f=-5.6!) 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+ -126:sc= 0 (180deg=-0.461) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 114:sc= 1.24 USER MOD Single : B 35 SER OG : rot 74:sc= 0.663 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+ 167:sc= -0.0489 (180deg=-0.226) USER MOD Single : B 43 MET CE :methyl -129:sc= -0.273 (180deg=-0.463) USER MOD Single : B 44 SER OG : rot -89:sc= 0.674 USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 1.468 -13.790 3.285 1.00 0.84 N ATOM 63 CA ILE B 6 1.792 -12.601 4.063 1.00 0.73 C ATOM 64 C ILE B 6 3.115 -12.811 4.798 1.00 0.65 C ATOM 65 O ILE B 6 3.795 -11.860 5.178 1.00 0.58 O ATOM 66 CB ILE B 6 0.669 -12.290 5.080 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.690 -12.209 4.370 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.952 -11.001 5.839 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.777 -11.123 3.313 1.00 0.92 C ATOM 0 HA ILE B 6 1.885 -11.755 3.383 1.00 0.73 H new ATOM 0 HB ILE B 6 0.638 -13.104 5.804 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -0.902 -13.171 3.904 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.467 -12.038 5.115 1.00 0.90 H new ATOM 0 HG21 ILE B 6 0.145 -10.810 6.546 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.893 -11.097 6.380 1.00 0.74 H new ATOM 0 HG23 ILE B 6 1.021 -10.172 5.135 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.769 -11.134 2.861 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.599 -10.151 3.774 1.00 0.92 H new ATOM 0 HD13 ILE B 6 -0.025 -11.303 2.544 1.00 0.92 H new ATOM 81 N TRP B 7 3.472 -14.080 4.949 1.00 0.70 N ATOM 82 CA TRP B 7 4.693 -14.494 5.632 1.00 0.69 C ATOM 83 C TRP B 7 5.931 -13.798 5.071 1.00 0.57 C ATOM 84 O TRP B 7 6.612 -13.057 5.780 1.00 0.50 O ATOM 85 CB TRP B 7 4.850 -16.009 5.497 1.00 0.80 C ATOM 86 CG TRP B 7 5.274 -16.686 6.762 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.465 -17.323 7.655 1.00 0.81 C ATOM 88 CD2 TRP B 7 6.605 -16.797 7.277 1.00 0.80 C ATOM 89 NE1 TRP B 7 5.211 -17.828 8.691 1.00 0.86 N ATOM 90 CE2 TRP B 7 6.529 -17.517 8.483 1.00 0.85 C ATOM 91 CE3 TRP B 7 7.856 -16.360 6.831 1.00 0.96 C ATOM 92 CZ2 TRP B 7 7.654 -17.809 9.246 1.00 1.00 C ATOM 93 CZ3 TRP B 7 8.971 -16.648 7.594 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.863 -17.368 8.789 1.00 1.14 C ATOM 0 H TRP B 7 2.917 -14.860 4.597 1.00 0.70 H new ATOM 0 HA TRP B 7 4.606 -14.209 6.680 1.00 0.69 H new ATOM 0 HB2 TRP B 7 3.903 -16.435 5.167 1.00 0.80 H new ATOM 0 HB3 TRP B 7 5.583 -16.221 4.719 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.393 -17.417 7.561 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.844 -18.350 9.487 1.00 0.86 H new ATOM 0 HE3 TRP B 7 7.949 -15.808 5.908 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 7.575 -18.365 10.168 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 9.942 -16.312 7.263 1.00 1.14 H new ATOM 0 HH2 TRP B 7 9.754 -17.579 9.362 1.00 1.14 H new ATOM 105 N GLN B 8 6.214 -14.030 3.798 1.00 0.58 N ATOM 106 CA GLN B 8 7.380 -13.438 3.158 1.00 0.51 C ATOM 107 C GLN B 8 7.178 -11.944 2.927 1.00 0.41 C ATOM 108 O GLN B 8 8.132 -11.162 2.953 1.00 0.38 O ATOM 109 CB GLN B 8 7.664 -14.128 1.824 1.00 0.58 C ATOM 110 CG GLN B 8 7.681 -15.646 1.906 1.00 0.83 C ATOM 111 CD GLN B 8 6.347 -16.264 1.526 1.00 1.13 C ATOM 112 OE1 GLN B 8 5.288 -15.688 1.773 1.00 1.57 O ATOM 113 NE2 GLN B 8 6.391 -17.433 0.914 1.00 1.28 N ATOM 0 H GLN B 8 5.653 -14.624 3.188 1.00 0.58 H new ATOM 0 HA GLN B 8 8.232 -13.576 3.824 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.909 -13.822 1.100 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.627 -13.784 1.446 1.00 0.58 H new ATOM 0 HG2 GLN B 8 8.458 -16.034 1.247 1.00 0.83 H new ATOM 0 HG3 GLN B 8 7.942 -15.949 2.920 1.00 0.83 H new ATOM 0 HE21 GLN B 8 7.290 -17.878 0.728 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.526 -17.892 0.628 1.00 1.28 H new ATOM 122 N LEU B 9 5.929 -11.559 2.707 1.00 0.43 N ATOM 123 CA LEU B 9 5.573 -10.165 2.460 1.00 0.41 C ATOM 124 C LEU B 9 5.940 -9.293 3.658 1.00 0.37 C ATOM 125 O LEU B 9 6.476 -8.194 3.501 1.00 0.37 O ATOM 126 CB LEU B 9 4.072 -10.056 2.166 1.00 0.52 C ATOM 127 CG LEU B 9 3.669 -10.020 0.683 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.690 -8.592 0.163 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.572 -10.917 -0.161 1.00 0.59 C ATOM 0 H LEU B 9 5.135 -12.199 2.694 1.00 0.43 H new ATOM 0 HA LEU B 9 6.134 -9.810 1.595 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.569 -10.901 2.637 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.694 -9.153 2.645 1.00 0.52 H new ATOM 0 HG LEU B 9 2.653 -10.405 0.601 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.402 -8.583 -0.888 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.989 -7.986 0.736 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.694 -8.181 0.268 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.260 -10.869 -1.204 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.604 -10.578 -0.075 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.497 -11.945 0.193 1.00 0.59 H new ATOM 141 N LEU B 10 5.658 -9.800 4.853 1.00 0.39 N ATOM 142 CA LEU B 10 5.956 -9.081 6.085 1.00 0.38 C ATOM 143 C LEU B 10 7.456 -8.829 6.226 1.00 0.35 C ATOM 144 O LEU B 10 7.869 -7.754 6.648 1.00 0.34 O ATOM 145 CB LEU B 10 5.451 -9.874 7.297 1.00 0.39 C ATOM 146 CG LEU B 10 4.427 -9.153 8.182 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.146 -9.965 9.437 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.912 -7.754 8.552 1.00 0.42 C ATOM 0 H LEU B 10 5.221 -10.711 4.994 1.00 0.39 H new ATOM 0 HA LEU B 10 5.446 -8.119 6.043 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.006 -10.803 6.941 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.308 -10.147 7.913 1.00 0.39 H new ATOM 0 HG LEU B 10 3.501 -9.052 7.615 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.417 -9.440 10.055 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.749 -10.941 9.158 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.070 -10.097 9.999 1.00 0.49 H new ATOM 0 HD21 LEU B 10 4.167 -7.265 9.180 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.854 -7.827 9.096 1.00 0.42 H new ATOM 0 HD23 LEU B 10 5.062 -7.169 7.645 1.00 0.42 H new ATOM 160 N ILE B 11 8.257 -9.821 5.845 1.00 0.35 N ATOM 161 CA ILE B 11 9.713 -9.737 5.952 1.00 0.35 C ATOM 162 C ILE B 11 10.289 -8.530 5.208 1.00 0.31 C ATOM 163 O ILE B 11 10.911 -7.661 5.821 1.00 0.37 O ATOM 164 CB ILE B 11 10.387 -11.029 5.426 1.00 0.39 C ATOM 165 CG1 ILE B 11 9.907 -12.241 6.231 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.908 -10.915 5.497 1.00 0.46 C ATOM 167 CD1 ILE B 11 10.466 -13.559 5.740 1.00 1.04 C ATOM 0 H ILE B 11 7.919 -10.701 5.456 1.00 0.35 H new ATOM 0 HA ILE B 11 9.931 -9.616 7.013 1.00 0.35 H new ATOM 0 HB ILE B 11 10.103 -11.164 4.382 1.00 0.39 H new ATOM 0 HG12 ILE B 11 10.186 -12.105 7.276 1.00 0.74 H new ATOM 0 HG13 ILE B 11 8.818 -12.282 6.194 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.360 -11.834 5.123 1.00 0.46 H new ATOM 0 HG22 ILE B 11 12.239 -10.074 4.888 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.213 -10.756 6.531 1.00 0.46 H new ATOM 0 HD11 ILE B 11 10.082 -14.370 6.358 1.00 1.04 H new ATOM 0 HD12 ILE B 11 10.165 -13.719 4.704 1.00 1.04 H new ATOM 0 HD13 ILE B 11 11.554 -13.539 5.803 1.00 1.04 H new ATOM 179 N ILE B 12 10.064 -8.469 3.900 1.00 0.25 N ATOM 180 CA ILE B 12 10.600 -7.379 3.082 1.00 0.23 C ATOM 181 C ILE B 12 10.013 -6.027 3.484 1.00 0.23 C ATOM 182 O ILE B 12 10.728 -5.023 3.541 1.00 0.21 O ATOM 183 CB ILE B 12 10.353 -7.604 1.575 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.503 -9.075 1.202 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.333 -6.778 0.760 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.947 -9.403 -0.167 1.00 0.32 C ATOM 0 H ILE B 12 9.517 -9.157 3.382 1.00 0.25 H new ATOM 0 HA ILE B 12 11.675 -7.373 3.264 1.00 0.23 H new ATOM 0 HB ILE B 12 9.332 -7.293 1.355 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.559 -9.345 1.232 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.996 -9.686 1.949 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.152 -6.942 -0.302 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.199 -5.721 0.992 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.352 -7.077 1.005 1.00 0.26 H new ATOM 0 HD11 ILE B 12 10.085 -10.465 -0.371 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.884 -9.163 -0.195 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.471 -8.817 -0.922 1.00 0.32 H new ATOM 198 N ALA B 13 8.718 -6.004 3.772 1.00 0.26 N ATOM 199 CA ALA B 13 8.053 -4.772 4.174 1.00 0.28 C ATOM 200 C ALA B 13 8.640 -4.251 5.494 1.00 0.26 C ATOM 201 O ALA B 13 8.786 -3.044 5.691 1.00 0.26 O ATOM 202 CB ALA B 13 6.558 -5.011 4.314 1.00 0.34 C ATOM 0 H ALA B 13 8.109 -6.822 3.735 1.00 0.26 H new ATOM 0 HA ALA B 13 8.217 -4.017 3.405 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.068 -4.085 4.615 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.152 -5.343 3.359 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.381 -5.777 5.069 1.00 0.34 H new ATOM 208 N VAL B 14 8.985 -5.180 6.395 1.00 0.25 N ATOM 209 CA VAL B 14 9.560 -4.831 7.696 1.00 0.25 C ATOM 210 C VAL B 14 10.941 -4.202 7.528 1.00 0.21 C ATOM 211 O VAL B 14 11.266 -3.215 8.188 1.00 0.21 O ATOM 212 CB VAL B 14 9.653 -6.067 8.631 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.776 -5.923 9.654 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.329 -6.286 9.345 1.00 0.36 C ATOM 0 H VAL B 14 8.874 -6.183 6.244 1.00 0.25 H new ATOM 0 HA VAL B 14 8.892 -4.104 8.159 1.00 0.25 H new ATOM 0 HB VAL B 14 9.879 -6.932 8.008 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.806 -6.809 10.288 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.729 -5.815 9.136 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.596 -5.042 10.270 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.407 -7.156 9.998 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.087 -5.406 9.941 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.542 -6.454 8.609 1.00 0.36 H new ATOM 224 N ILE B 15 11.743 -4.767 6.633 1.00 0.19 N ATOM 225 CA ILE B 15 13.085 -4.251 6.377 1.00 0.19 C ATOM 226 C ILE B 15 13.008 -2.811 5.859 1.00 0.18 C ATOM 227 O ILE B 15 13.910 -2.004 6.082 1.00 0.22 O ATOM 228 CB ILE B 15 13.849 -5.140 5.365 1.00 0.20 C ATOM 229 CG1 ILE B 15 13.884 -6.593 5.855 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.261 -4.616 5.142 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.472 -7.567 4.854 1.00 0.28 C ATOM 0 H ILE B 15 11.489 -5.581 6.073 1.00 0.19 H new ATOM 0 HA ILE B 15 13.634 -4.265 7.319 1.00 0.19 H new ATOM 0 HB ILE B 15 13.322 -5.106 4.412 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.464 -6.641 6.777 1.00 0.24 H new ATOM 0 HG13 ILE B 15 12.870 -6.908 6.100 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.778 -5.256 4.428 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.214 -3.600 4.751 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.803 -4.616 6.088 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.461 -8.572 5.275 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.880 -7.551 3.939 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.499 -7.280 4.627 1.00 0.28 H new ATOM 243 N VAL B 16 11.898 -2.496 5.206 1.00 0.18 N ATOM 244 CA VAL B 16 11.669 -1.168 4.651 1.00 0.21 C ATOM 245 C VAL B 16 11.585 -0.104 5.752 1.00 0.22 C ATOM 246 O VAL B 16 11.984 1.043 5.549 1.00 0.24 O ATOM 247 CB VAL B 16 10.386 -1.164 3.774 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.549 0.102 3.940 1.00 0.26 C ATOM 249 CG2 VAL B 16 10.760 -1.353 2.317 1.00 0.28 C ATOM 0 H VAL B 16 11.133 -3.151 5.046 1.00 0.18 H new ATOM 0 HA VAL B 16 12.522 -0.915 4.021 1.00 0.21 H new ATOM 0 HB VAL B 16 9.767 -1.994 4.114 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.668 0.042 3.301 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.237 0.198 4.980 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.144 0.971 3.658 1.00 0.26 H new ATOM 0 HG21 VAL B 16 9.857 -1.350 1.706 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.415 -0.541 2.001 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.277 -2.305 2.195 1.00 0.28 H new ATOM 259 N VAL B 17 11.104 -0.489 6.924 1.00 0.23 N ATOM 260 CA VAL B 17 10.970 0.453 8.029 1.00 0.27 C ATOM 261 C VAL B 17 12.319 1.066 8.407 1.00 0.28 C ATOM 262 O VAL B 17 12.470 2.286 8.415 1.00 0.33 O ATOM 263 CB VAL B 17 10.335 -0.209 9.269 1.00 0.29 C ATOM 264 CG1 VAL B 17 10.044 0.831 10.343 1.00 0.35 C ATOM 265 CG2 VAL B 17 9.066 -0.955 8.882 1.00 0.30 C ATOM 0 H VAL B 17 10.801 -1.440 7.136 1.00 0.23 H new ATOM 0 HA VAL B 17 10.308 1.247 7.684 1.00 0.27 H new ATOM 0 HB VAL B 17 11.044 -0.929 9.678 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.596 0.344 11.209 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.973 1.317 10.640 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.354 1.577 9.949 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.630 -1.416 9.768 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.351 -0.256 8.448 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.307 -1.728 8.152 1.00 0.30 H new ATOM 275 N LEU B 18 13.303 0.219 8.681 1.00 0.29 N ATOM 276 CA LEU B 18 14.629 0.695 9.073 1.00 0.32 C ATOM 277 C LEU B 18 15.422 1.206 7.872 1.00 0.33 C ATOM 278 O LEU B 18 16.422 1.904 8.030 1.00 0.44 O ATOM 279 CB LEU B 18 15.416 -0.411 9.787 1.00 0.32 C ATOM 280 CG LEU B 18 15.603 -1.709 8.993 1.00 0.28 C ATOM 281 CD1 LEU B 18 17.036 -2.207 9.106 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.636 -2.776 9.479 1.00 0.24 C ATOM 0 H LEU B 18 13.212 -0.796 8.640 1.00 0.29 H new ATOM 0 HA LEU B 18 14.482 1.527 9.761 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.400 -0.021 10.049 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.908 -0.648 10.722 1.00 0.32 H new ATOM 0 HG LEU B 18 15.392 -1.499 7.945 1.00 0.28 H new ATOM 0 HD11 LEU B 18 17.147 -3.129 8.535 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.716 -1.452 8.711 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.274 -2.397 10.153 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.784 -3.690 8.904 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.818 -2.978 10.535 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.612 -2.426 9.348 1.00 0.24 H new ATOM 294 N LEU B 19 14.965 0.868 6.676 1.00 0.26 N ATOM 295 CA LEU B 19 15.633 1.285 5.450 1.00 0.28 C ATOM 296 C LEU B 19 15.509 2.798 5.229 1.00 0.31 C ATOM 297 O LEU B 19 16.444 3.442 4.757 1.00 0.35 O ATOM 298 CB LEU B 19 15.041 0.533 4.251 1.00 0.24 C ATOM 299 CG LEU B 19 16.055 -0.006 3.233 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.380 -0.947 2.247 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.717 1.134 2.482 1.00 0.28 C ATOM 0 H LEU B 19 14.129 0.303 6.527 1.00 0.26 H new ATOM 0 HA LEU B 19 16.692 1.045 5.546 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.452 -0.304 4.626 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.353 1.200 3.732 1.00 0.24 H new ATOM 0 HG LEU B 19 16.818 -0.559 3.781 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.117 -1.317 1.535 1.00 0.22 H new ATOM 0 HD12 LEU B 19 14.943 -1.787 2.787 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.595 -0.412 1.712 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.432 0.731 1.765 1.00 0.28 H new ATOM 0 HD22 LEU B 19 15.958 1.710 1.952 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.237 1.782 3.188 1.00 0.28 H new ATOM 313 N PHE B 20 14.356 3.365 5.580 1.00 0.32 N ATOM 314 CA PHE B 20 14.122 4.798 5.379 1.00 0.37 C ATOM 315 C PHE B 20 13.829 5.508 6.696 1.00 0.40 C ATOM 316 O PHE B 20 13.300 6.618 6.713 1.00 0.59 O ATOM 317 CB PHE B 20 12.973 4.996 4.387 1.00 0.39 C ATOM 318 CG PHE B 20 12.910 3.890 3.378 1.00 0.34 C ATOM 319 CD1 PHE B 20 13.929 3.714 2.458 1.00 1.05 C ATOM 320 CD2 PHE B 20 11.862 2.990 3.388 1.00 0.96 C ATOM 321 CE1 PHE B 20 13.894 2.666 1.567 1.00 1.02 C ATOM 322 CE2 PHE B 20 11.834 1.934 2.503 1.00 0.97 C ATOM 323 CZ PHE B 20 12.853 1.770 1.593 1.00 0.29 C ATOM 0 H PHE B 20 13.575 2.862 6.001 1.00 0.32 H new ATOM 0 HA PHE B 20 15.030 5.241 4.970 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.029 5.046 4.930 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.097 5.949 3.873 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.759 4.405 2.439 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.057 3.115 4.096 1.00 0.96 H new ATOM 0 HE1 PHE B 20 14.688 2.547 0.845 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.011 1.234 2.524 1.00 0.97 H new ATOM 0 HZ PHE B 20 12.834 0.940 0.902 1.00 0.29 H new ATOM 333 N GLY B 21 14.175 4.848 7.790 1.00 0.30 N ATOM 334 CA GLY B 21 13.979 5.417 9.114 1.00 0.33 C ATOM 335 C GLY B 21 12.527 5.709 9.440 1.00 0.27 C ATOM 336 O GLY B 21 12.216 6.733 10.047 1.00 0.34 O ATOM 0 H GLY B 21 14.593 3.918 7.787 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.379 4.729 9.859 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.553 6.340 9.192 1.00 0.33 H new ATOM 340 N THR B 22 11.640 4.813 9.020 1.00 0.27 N ATOM 341 CA THR B 22 10.201 4.937 9.270 1.00 0.33 C ATOM 342 C THR B 22 9.585 6.194 8.629 1.00 0.42 C ATOM 343 O THR B 22 8.411 6.499 8.845 1.00 0.59 O ATOM 344 CB THR B 22 9.912 4.940 10.788 1.00 0.35 C ATOM 345 OG1 THR B 22 10.844 4.079 11.458 1.00 0.85 O ATOM 346 CG2 THR B 22 8.493 4.471 11.080 1.00 0.74 C ATOM 0 H THR B 22 11.895 3.977 8.495 1.00 0.27 H new ATOM 0 HA THR B 22 9.735 4.070 8.803 1.00 0.33 H new ATOM 0 HB THR B 22 10.019 5.962 11.151 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.660 4.084 12.421 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.320 4.484 12.156 1.00 0.74 H new ATOM 0 HG22 THR B 22 7.782 5.136 10.590 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.360 3.457 10.703 1.00 0.74 H new ATOM 354 N LYS B 23 10.358 6.908 7.823 1.00 0.41 N ATOM 355 CA LYS B 23 9.869 8.125 7.181 1.00 0.58 C ATOM 356 C LYS B 23 8.782 7.820 6.155 1.00 0.73 C ATOM 357 O LYS B 23 7.771 8.520 6.089 1.00 1.13 O ATOM 358 CB LYS B 23 11.018 8.879 6.513 1.00 0.57 C ATOM 359 CG LYS B 23 11.608 9.982 7.373 1.00 0.79 C ATOM 360 CD LYS B 23 12.598 10.819 6.590 1.00 0.96 C ATOM 361 CE LYS B 23 13.001 12.064 7.355 1.00 1.41 C ATOM 362 NZ LYS B 23 13.963 12.894 6.589 1.00 1.89 N ATOM 0 H LYS B 23 11.323 6.669 7.597 1.00 0.41 H new ATOM 0 HA LYS B 23 9.434 8.752 7.959 1.00 0.58 H new ATOM 0 HB2 LYS B 23 11.805 8.170 6.257 1.00 0.57 H new ATOM 0 HB3 LYS B 23 10.662 9.311 5.578 1.00 0.57 H new ATOM 0 HG2 LYS B 23 10.808 10.619 7.751 1.00 0.79 H new ATOM 0 HG3 LYS B 23 12.103 9.545 8.240 1.00 0.79 H new ATOM 0 HD2 LYS B 23 13.484 10.224 6.369 1.00 0.96 H new ATOM 0 HD3 LYS B 23 12.159 11.104 5.634 1.00 0.96 H new ATOM 0 HE2 LYS B 23 12.113 12.654 7.583 1.00 1.41 H new ATOM 0 HE3 LYS B 23 13.446 11.777 8.308 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 14.215 13.736 7.145 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 14.821 12.340 6.393 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 13.529 13.189 5.691 1.00 1.89 H new ATOM 376 N LYS B 24 8.991 6.770 5.369 1.00 0.73 N ATOM 377 CA LYS B 24 8.031 6.377 4.341 1.00 1.03 C ATOM 378 C LYS B 24 6.664 6.099 4.953 1.00 0.71 C ATOM 379 O LYS B 24 5.658 6.688 4.568 1.00 0.55 O ATOM 380 CB LYS B 24 8.517 5.121 3.599 1.00 1.60 C ATOM 381 CG LYS B 24 7.437 4.460 2.749 1.00 2.50 C ATOM 382 CD LYS B 24 7.850 3.075 2.270 1.00 3.67 C ATOM 383 CE LYS B 24 6.651 2.297 1.738 1.00 4.88 C ATOM 384 NZ LYS B 24 7.040 1.008 1.099 1.00 5.98 N ATOM 0 H LYS B 24 9.817 6.174 5.423 1.00 0.73 H new ATOM 0 HA LYS B 24 7.945 7.204 3.636 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.358 5.389 2.959 1.00 1.60 H new ATOM 0 HB3 LYS B 24 8.888 4.399 4.327 1.00 1.60 H new ATOM 0 HG2 LYS B 24 6.517 4.383 3.329 1.00 2.50 H new ATOM 0 HG3 LYS B 24 7.219 5.091 1.887 1.00 2.50 H new ATOM 0 HD2 LYS B 24 8.604 3.167 1.488 1.00 3.67 H new ATOM 0 HD3 LYS B 24 8.309 2.525 3.091 1.00 3.67 H new ATOM 0 HE2 LYS B 24 5.960 2.098 2.557 1.00 4.88 H new ATOM 0 HE3 LYS B 24 6.117 2.911 1.013 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 6.648 0.965 0.137 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 8.077 0.942 1.054 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 6.667 0.216 1.660 1.00 5.98 H new ATOM 398 N LEU B 25 6.651 5.217 5.930 1.00 0.71 N ATOM 399 CA LEU B 25 5.420 4.819 6.593 1.00 0.62 C ATOM 400 C LEU B 25 4.871 5.949 7.458 1.00 0.44 C ATOM 401 O LEU B 25 3.699 5.949 7.827 1.00 0.56 O ATOM 402 CB LEU B 25 5.678 3.570 7.437 1.00 0.76 C ATOM 403 CG LEU B 25 6.726 2.611 6.860 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.092 2.883 7.467 1.00 0.86 C ATOM 405 CD2 LEU B 25 6.316 1.166 7.099 1.00 0.75 C ATOM 0 H LEU B 25 7.487 4.756 6.288 1.00 0.71 H new ATOM 0 HA LEU B 25 4.670 4.593 5.835 1.00 0.62 H new ATOM 0 HB2 LEU B 25 5.998 3.880 8.432 1.00 0.76 H new ATOM 0 HB3 LEU B 25 4.739 3.030 7.558 1.00 0.76 H new ATOM 0 HG LEU B 25 6.788 2.779 5.785 1.00 0.71 H new ATOM 0 HD11 LEU B 25 8.822 2.192 7.045 1.00 0.86 H new ATOM 0 HD12 LEU B 25 8.391 3.907 7.245 1.00 0.86 H new ATOM 0 HD13 LEU B 25 8.044 2.745 8.547 1.00 0.86 H new ATOM 0 HD21 LEU B 25 7.072 0.500 6.683 1.00 0.75 H new ATOM 0 HD22 LEU B 25 6.224 0.986 8.170 1.00 0.75 H new ATOM 0 HD23 LEU B 25 5.358 0.975 6.616 1.00 0.75 H new ATOM 417 N GLY B 26 5.725 6.910 7.772 1.00 0.42 N ATOM 418 CA GLY B 26 5.315 8.035 8.583 1.00 0.53 C ATOM 419 C GLY B 26 4.474 9.039 7.817 1.00 0.60 C ATOM 420 O GLY B 26 3.363 9.367 8.231 1.00 0.87 O ATOM 0 H GLY B 26 6.701 6.930 7.477 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.747 7.671 9.440 1.00 0.53 H new ATOM 0 HA3 GLY B 26 6.200 8.535 8.976 1.00 0.53 H new ATOM 424 N SER B 27 4.989 9.517 6.694 1.00 0.53 N ATOM 425 CA SER B 27 4.278 10.504 5.892 1.00 0.58 C ATOM 426 C SER B 27 3.222 9.859 4.990 1.00 0.51 C ATOM 427 O SER B 27 2.026 10.100 5.153 1.00 0.53 O ATOM 428 CB SER B 27 5.279 11.298 5.051 1.00 0.66 C ATOM 429 OG SER B 27 6.496 11.481 5.759 1.00 0.89 O ATOM 0 H SER B 27 5.895 9.239 6.317 1.00 0.53 H new ATOM 0 HA SER B 27 3.754 11.175 6.573 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.472 10.773 4.115 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.855 12.268 4.791 1.00 0.66 H new ATOM 0 HG SER B 27 7.124 11.989 5.204 1.00 0.89 H new ATOM 435 N ILE B 28 3.674 9.016 4.060 1.00 0.47 N ATOM 436 CA ILE B 28 2.778 8.351 3.107 1.00 0.44 C ATOM 437 C ILE B 28 1.811 7.409 3.823 1.00 0.42 C ATOM 438 O ILE B 28 0.663 7.240 3.408 1.00 0.41 O ATOM 439 CB ILE B 28 3.574 7.563 2.017 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.618 6.053 2.310 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.991 8.107 1.904 1.00 0.80 C ATOM 442 CD1 ILE B 28 4.128 5.220 1.154 1.00 1.25 C ATOM 0 H ILE B 28 4.659 8.776 3.945 1.00 0.47 H new ATOM 0 HA ILE B 28 2.205 9.136 2.613 1.00 0.44 H new ATOM 0 HB ILE B 28 3.051 7.702 1.071 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.253 5.879 3.179 1.00 1.16 H new ATOM 0 HG13 ILE B 28 2.616 5.715 2.575 1.00 1.16 H new ATOM 0 HG21 ILE B 28 5.535 7.550 1.141 1.00 0.80 H new ATOM 0 HG22 ILE B 28 4.955 9.161 1.627 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.499 8.001 2.863 1.00 0.80 H new ATOM 0 HD11 ILE B 28 4.130 4.167 1.437 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.480 5.362 0.289 1.00 1.25 H new ATOM 0 HD13 ILE B 28 5.142 5.530 0.902 1.00 1.25 H new ATOM 454 N GLY B 29 2.283 6.812 4.911 1.00 0.46 N ATOM 455 CA GLY B 29 1.468 5.881 5.666 1.00 0.48 C ATOM 456 C GLY B 29 0.312 6.547 6.388 1.00 0.46 C ATOM 457 O GLY B 29 -0.755 5.955 6.535 1.00 0.50 O ATOM 0 H GLY B 29 3.221 6.958 5.285 1.00 0.46 H new ATOM 0 HA2 GLY B 29 1.076 5.121 4.990 1.00 0.48 H new ATOM 0 HA3 GLY B 29 2.095 5.367 6.395 1.00 0.48 H new ATOM 461 N SER B 30 0.514 7.777 6.832 1.00 0.43 N ATOM 462 CA SER B 30 -0.531 8.505 7.543 1.00 0.45 C ATOM 463 C SER B 30 -1.641 8.953 6.597 1.00 0.42 C ATOM 464 O SER B 30 -2.823 8.895 6.945 1.00 0.45 O ATOM 465 CB SER B 30 0.058 9.715 8.270 1.00 0.47 C ATOM 466 OG SER B 30 0.949 9.306 9.291 1.00 0.94 O ATOM 0 H SER B 30 1.386 8.292 6.715 1.00 0.43 H new ATOM 0 HA SER B 30 -0.965 7.826 8.277 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.582 10.352 7.558 1.00 0.47 H new ATOM 0 HB3 SER B 30 -0.746 10.312 8.701 1.00 0.47 H new ATOM 0 HG SER B 30 1.859 9.591 9.064 1.00 0.94 H new ATOM 472 N ASP B 31 -1.261 9.386 5.400 1.00 0.37 N ATOM 473 CA ASP B 31 -2.235 9.854 4.415 1.00 0.38 C ATOM 474 C ASP B 31 -3.062 8.696 3.883 1.00 0.37 C ATOM 475 O ASP B 31 -4.298 8.732 3.898 1.00 0.39 O ATOM 476 CB ASP B 31 -1.539 10.557 3.255 1.00 0.38 C ATOM 477 CG ASP B 31 -2.511 11.372 2.417 1.00 0.96 C ATOM 478 OD1 ASP B 31 -3.255 10.775 1.614 1.00 1.35 O ATOM 479 OD2 ASP B 31 -2.535 12.613 2.568 1.00 1.48 O ATOM 0 H ASP B 31 -0.291 9.424 5.087 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.895 10.563 4.914 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.758 11.211 3.643 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.049 9.816 2.624 1.00 0.38 H new ATOM 484 N LEU B 32 -2.375 7.658 3.418 1.00 0.36 N ATOM 485 CA LEU B 32 -3.050 6.480 2.893 1.00 0.36 C ATOM 486 C LEU B 32 -3.780 5.749 4.010 1.00 0.38 C ATOM 487 O LEU B 32 -4.756 5.038 3.767 1.00 0.40 O ATOM 488 CB LEU B 32 -2.065 5.555 2.178 1.00 0.36 C ATOM 489 CG LEU B 32 -2.134 5.643 0.655 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.786 5.998 0.054 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.648 4.348 0.067 1.00 0.57 C ATOM 0 H LEU B 32 -1.356 7.610 3.394 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.787 6.804 2.158 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.053 5.797 2.501 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.259 4.527 2.483 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.831 6.442 0.405 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.874 6.052 -1.031 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -0.459 6.964 0.440 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.056 5.234 0.321 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.689 4.433 -1.019 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -1.979 3.533 0.342 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.647 4.144 0.453 1.00 0.57 H new ATOM 503 N GLY B 33 -3.306 5.939 5.235 1.00 0.38 N ATOM 504 CA GLY B 33 -3.941 5.334 6.384 1.00 0.39 C ATOM 505 C GLY B 33 -5.281 5.982 6.637 1.00 0.41 C ATOM 506 O GLY B 33 -6.259 5.315 6.977 1.00 0.42 O ATOM 0 H GLY B 33 -2.486 6.506 5.451 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.071 4.265 6.216 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.304 5.444 7.261 1.00 0.39 H new ATOM 510 N ALA B 34 -5.321 7.296 6.462 1.00 0.41 N ATOM 511 CA ALA B 34 -6.547 8.054 6.625 1.00 0.44 C ATOM 512 C ALA B 34 -7.512 7.696 5.512 1.00 0.44 C ATOM 513 O ALA B 34 -8.719 7.597 5.714 1.00 0.49 O ATOM 514 CB ALA B 34 -6.257 9.540 6.594 1.00 0.44 C ATOM 0 H ALA B 34 -4.510 7.859 6.205 1.00 0.41 H new ATOM 0 HA ALA B 34 -6.992 7.807 7.589 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.187 10.095 6.718 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.573 9.794 7.403 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -5.802 9.802 5.639 1.00 0.44 H new ATOM 520 N SER B 35 -6.959 7.496 4.333 1.00 0.42 N ATOM 521 CA SER B 35 -7.743 7.146 3.171 1.00 0.42 C ATOM 522 C SER B 35 -8.297 5.724 3.298 1.00 0.41 C ATOM 523 O SER B 35 -9.328 5.391 2.710 1.00 0.40 O ATOM 524 CB SER B 35 -6.878 7.292 1.923 1.00 0.43 C ATOM 525 OG SER B 35 -6.363 8.611 1.834 1.00 0.48 O ATOM 0 H SER B 35 -5.957 7.572 4.156 1.00 0.42 H new ATOM 0 HA SER B 35 -8.596 7.820 3.092 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.058 6.575 1.955 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.467 7.063 1.035 1.00 0.43 H new ATOM 0 HG SER B 35 -5.647 8.728 2.493 1.00 0.48 H new ATOM 531 N ILE B 36 -7.623 4.899 4.100 1.00 0.45 N ATOM 532 CA ILE B 36 -8.043 3.515 4.309 1.00 0.47 C ATOM 533 C ILE B 36 -9.359 3.450 5.098 1.00 0.43 C ATOM 534 O ILE B 36 -10.189 2.568 4.868 1.00 0.43 O ATOM 535 CB ILE B 36 -6.933 2.679 5.016 1.00 0.57 C ATOM 536 CG1 ILE B 36 -6.654 1.395 4.229 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.298 2.336 6.458 1.00 0.55 C ATOM 538 CD1 ILE B 36 -5.990 1.633 2.890 1.00 1.03 C ATOM 0 H ILE B 36 -6.784 5.166 4.615 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.213 3.075 3.326 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.034 3.295 5.042 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -6.019 0.743 4.829 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -7.594 0.866 4.070 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.494 1.753 6.908 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -7.441 3.255 7.026 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -8.219 1.754 6.471 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -5.824 0.678 2.391 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -6.633 2.259 2.271 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -5.034 2.134 3.042 1.00 1.03 H new ATOM 550 N LYS B 37 -9.557 4.401 6.010 1.00 0.42 N ATOM 551 CA LYS B 37 -10.773 4.436 6.815 1.00 0.41 C ATOM 552 C LYS B 37 -11.909 5.052 6.011 1.00 0.43 C ATOM 553 O LYS B 37 -13.078 4.969 6.388 1.00 0.55 O ATOM 554 CB LYS B 37 -10.541 5.215 8.120 1.00 0.44 C ATOM 555 CG LYS B 37 -10.451 6.722 7.935 1.00 0.46 C ATOM 556 CD LYS B 37 -10.062 7.429 9.221 1.00 0.51 C ATOM 557 CE LYS B 37 -9.755 8.892 8.965 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.320 9.588 10.200 1.00 0.70 N ATOM 0 H LYS B 37 -8.895 5.152 6.208 1.00 0.42 H new ATOM 0 HA LYS B 37 -11.047 3.415 7.081 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.353 4.992 8.813 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.620 4.861 8.583 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.719 6.949 7.160 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.411 7.103 7.588 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.872 7.345 9.946 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.191 6.942 9.659 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.975 8.973 8.208 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.641 9.384 8.563 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.120 10.585 9.984 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.075 9.533 10.914 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.460 9.134 10.570 1.00 0.70 H new ATOM 572 N GLY B 38 -11.554 5.662 4.889 1.00 0.36 N ATOM 573 CA GLY B 38 -12.543 6.278 4.038 1.00 0.42 C ATOM 574 C GLY B 38 -12.980 5.356 2.920 1.00 0.44 C ATOM 575 O GLY B 38 -14.169 5.247 2.628 1.00 0.51 O ATOM 0 H GLY B 38 -10.593 5.740 4.555 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.410 6.561 4.635 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.136 7.195 3.613 1.00 0.42 H new ATOM 579 N PHE B 39 -12.017 4.670 2.313 1.00 0.44 N ATOM 580 CA PHE B 39 -12.296 3.759 1.208 1.00 0.52 C ATOM 581 C PHE B 39 -13.113 2.557 1.676 1.00 0.43 C ATOM 582 O PHE B 39 -13.954 2.044 0.942 1.00 0.48 O ATOM 583 CB PHE B 39 -10.977 3.315 0.537 1.00 0.70 C ATOM 584 CG PHE B 39 -10.592 1.872 0.753 1.00 0.74 C ATOM 585 CD1 PHE B 39 -9.966 1.469 1.923 1.00 1.21 C ATOM 586 CD2 PHE B 39 -10.842 0.925 -0.228 1.00 0.74 C ATOM 587 CE1 PHE B 39 -9.610 0.149 2.115 1.00 1.48 C ATOM 588 CE2 PHE B 39 -10.484 -0.397 -0.043 1.00 1.06 C ATOM 589 CZ PHE B 39 -9.864 -0.784 1.129 1.00 1.36 C ATOM 0 H PHE B 39 -11.031 4.728 2.569 1.00 0.44 H new ATOM 0 HA PHE B 39 -12.896 4.288 0.468 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.057 3.495 -0.535 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.170 3.948 0.908 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -9.755 2.196 2.693 1.00 1.21 H new ATOM 0 HD2 PHE B 39 -11.322 1.224 -1.148 1.00 0.74 H new ATOM 0 HE1 PHE B 39 -9.133 -0.154 3.036 1.00 1.48 H new ATOM 0 HE2 PHE B 39 -10.689 -1.126 -0.813 1.00 1.06 H new ATOM 0 HZ PHE B 39 -9.578 -1.815 1.274 1.00 1.36 H new ATOM 599 N LYS B 40 -12.879 2.127 2.911 1.00 0.41 N ATOM 600 CA LYS B 40 -13.590 0.981 3.462 1.00 0.44 C ATOM 601 C LYS B 40 -14.939 1.402 4.031 1.00 0.43 C ATOM 602 O LYS B 40 -15.779 0.561 4.349 1.00 0.50 O ATOM 603 CB LYS B 40 -12.744 0.300 4.541 1.00 0.52 C ATOM 604 CG LYS B 40 -13.052 -1.181 4.713 1.00 0.86 C ATOM 605 CD LYS B 40 -12.368 -2.021 3.646 1.00 0.97 C ATOM 606 CE LYS B 40 -12.705 -3.493 3.804 1.00 1.34 C ATOM 607 NZ LYS B 40 -11.783 -4.357 3.025 1.00 1.61 N ATOM 0 H LYS B 40 -12.205 2.553 3.547 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.769 0.269 2.656 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.689 0.417 4.291 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.905 0.809 5.492 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.726 -1.509 5.700 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -14.130 -1.337 4.665 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.676 -1.679 2.658 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -11.288 -1.884 3.709 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -12.655 -3.766 4.858 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -13.730 -3.668 3.477 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -12.046 -5.354 3.159 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -11.849 -4.114 2.016 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -10.808 -4.209 3.354 1.00 1.61 H new ATOM 621 N LYS B 41 -15.153 2.708 4.146 1.00 0.40 N ATOM 622 CA LYS B 41 -16.410 3.220 4.673 1.00 0.45 C ATOM 623 C LYS B 41 -17.493 3.174 3.602 1.00 0.41 C ATOM 624 O LYS B 41 -18.660 3.432 3.870 1.00 0.48 O ATOM 625 CB LYS B 41 -16.243 4.646 5.207 1.00 0.53 C ATOM 626 CG LYS B 41 -17.438 5.137 6.011 1.00 0.66 C ATOM 627 CD LYS B 41 -17.033 6.170 7.048 1.00 0.77 C ATOM 628 CE LYS B 41 -18.230 6.644 7.863 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.900 5.533 8.596 1.00 1.04 N ATOM 0 H LYS B 41 -14.477 3.426 3.883 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.714 2.583 5.504 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.352 4.689 5.833 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.077 5.322 4.369 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -18.177 5.569 5.337 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.915 4.292 6.507 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -16.284 5.743 7.715 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.569 7.022 6.552 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.903 7.400 8.577 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.950 7.123 7.199 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -19.558 5.927 9.298 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -19.426 4.940 7.923 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -18.184 4.955 9.080 1.00 1.04 H new ATOM 643 N ALA B 42 -17.099 2.856 2.377 1.00 0.32 N ATOM 644 CA ALA B 42 -18.056 2.744 1.288 1.00 0.29 C ATOM 645 C ALA B 42 -18.623 1.329 1.270 1.00 0.27 C ATOM 646 O ALA B 42 -19.559 1.023 0.537 1.00 0.41 O ATOM 647 CB ALA B 42 -17.407 3.094 -0.048 1.00 0.31 C ATOM 0 H ALA B 42 -16.131 2.672 2.114 1.00 0.32 H new ATOM 0 HA ALA B 42 -18.868 3.454 1.446 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.144 3.002 -0.846 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.034 4.118 -0.014 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.578 2.412 -0.240 1.00 0.31 H new ATOM 653 N MET B 43 -18.042 0.479 2.110 1.00 0.37 N ATOM 654 CA MET B 43 -18.444 -0.914 2.230 1.00 0.43 C ATOM 655 C MET B 43 -18.555 -1.288 3.705 1.00 0.48 C ATOM 656 O MET B 43 -18.128 -2.363 4.123 1.00 0.72 O ATOM 657 CB MET B 43 -17.424 -1.824 1.533 1.00 0.54 C ATOM 658 CG MET B 43 -17.319 -1.599 0.030 1.00 0.75 C ATOM 659 SD MET B 43 -16.092 -0.351 -0.417 1.00 1.39 S ATOM 660 CE MET B 43 -14.571 -1.202 -0.011 1.00 1.21 C ATOM 0 H MET B 43 -17.275 0.741 2.729 1.00 0.37 H new ATOM 0 HA MET B 43 -19.413 -1.047 1.750 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.444 -1.666 1.983 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.695 -2.864 1.716 1.00 0.54 H new ATOM 0 HG2 MET B 43 -17.063 -2.541 -0.455 1.00 0.75 H new ATOM 0 HG3 MET B 43 -18.293 -1.296 -0.355 1.00 0.75 H new ATOM 0 HE1 MET B 43 -13.954 -0.563 0.620 1.00 1.21 H new ATOM 0 HE2 MET B 43 -14.801 -2.125 0.522 1.00 1.21 H new ATOM 0 HE3 MET B 43 -14.030 -1.438 -0.928 1.00 1.21 H new ATOM 670 N SER B 44 -19.151 -0.401 4.491 1.00 0.56 N ATOM 671 CA SER B 44 -19.304 -0.621 5.923 1.00 0.66 C ATOM 672 C SER B 44 -20.573 -1.412 6.237 1.00 0.66 C ATOM 673 O SER B 44 -21.215 -1.185 7.267 1.00 0.99 O ATOM 674 CB SER B 44 -19.327 0.731 6.640 1.00 0.88 C ATOM 675 OG SER B 44 -19.898 1.727 5.808 1.00 1.35 O ATOM 0 H SER B 44 -19.538 0.482 4.159 1.00 0.56 H new ATOM 0 HA SER B 44 -18.458 -1.211 6.276 1.00 0.66 H new ATOM 0 HB2 SER B 44 -19.900 0.649 7.564 1.00 0.88 H new ATOM 0 HB3 SER B 44 -18.313 1.019 6.918 1.00 0.88 H new ATOM 0 HG SER B 44 -19.195 2.143 5.267 1.00 1.35 H new ATOM 782 N ILE A 6 2.841 -10.411 -6.641 1.00 0.84 N ATOM 783 CA ILE A 6 3.057 -9.594 -5.435 1.00 0.75 C ATOM 784 C ILE A 6 4.429 -9.849 -4.804 1.00 0.65 C ATOM 785 O ILE A 6 5.070 -8.924 -4.307 1.00 0.61 O ATOM 786 CB ILE A 6 1.966 -9.843 -4.358 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.559 -9.728 -4.955 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.125 -8.867 -3.199 1.00 0.79 C ATOM 789 CD1 ILE A 6 0.231 -8.356 -5.503 1.00 0.96 C ATOM 0 HA ILE A 6 3.002 -8.559 -5.771 1.00 0.75 H new ATOM 0 HB ILE A 6 2.095 -10.859 -3.984 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.454 -10.461 -5.754 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.172 -9.985 -4.188 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.352 -9.057 -2.455 1.00 0.79 H new ATOM 0 HG22 ILE A 6 3.107 -8.999 -2.744 1.00 0.79 H new ATOM 0 HG23 ILE A 6 2.030 -7.846 -3.568 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -0.781 -8.358 -5.907 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.301 -7.619 -4.703 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.937 -8.102 -6.294 1.00 0.96 H new ATOM 801 N TRP A 7 4.876 -11.098 -4.850 1.00 0.64 N ATOM 802 CA TRP A 7 6.162 -11.489 -4.280 1.00 0.60 C ATOM 803 C TRP A 7 7.305 -10.651 -4.856 1.00 0.56 C ATOM 804 O TRP A 7 8.004 -9.952 -4.125 1.00 0.54 O ATOM 805 CB TRP A 7 6.419 -12.970 -4.564 1.00 0.67 C ATOM 806 CG TRP A 7 6.990 -13.720 -3.396 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.318 -14.563 -2.556 1.00 0.75 C ATOM 808 CD2 TRP A 7 8.348 -13.701 -2.939 1.00 0.65 C ATOM 809 NE1 TRP A 7 7.173 -15.063 -1.609 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.424 -14.549 -1.819 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.511 -13.049 -3.364 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.610 -14.756 -1.119 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.688 -13.261 -2.672 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.730 -14.106 -1.556 1.00 0.92 C ATOM 0 H TRP A 7 4.361 -11.866 -5.281 1.00 0.64 H new ATOM 0 HA TRP A 7 6.123 -11.317 -3.204 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.483 -13.441 -4.864 1.00 0.67 H new ATOM 0 HB3 TRP A 7 7.103 -13.055 -5.408 1.00 0.67 H new ATOM 0 HD1 TRP A 7 5.267 -14.800 -2.628 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.918 -15.714 -0.866 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.489 -12.390 -4.220 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.644 -15.409 -0.259 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.591 -12.766 -2.997 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.664 -14.246 -1.032 1.00 0.92 H new ATOM 825 N GLN A 8 7.478 -10.721 -6.172 1.00 0.57 N ATOM 826 CA GLN A 8 8.536 -9.979 -6.854 1.00 0.59 C ATOM 827 C GLN A 8 8.222 -8.488 -6.877 1.00 0.58 C ATOM 828 O GLN A 8 9.127 -7.651 -6.839 1.00 0.59 O ATOM 829 CB GLN A 8 8.719 -10.498 -8.285 1.00 0.68 C ATOM 830 CG GLN A 8 8.924 -12.005 -8.377 1.00 0.79 C ATOM 831 CD GLN A 8 7.628 -12.759 -8.606 1.00 1.06 C ATOM 832 OE1 GLN A 8 6.559 -12.330 -8.176 1.00 1.49 O ATOM 833 NE2 GLN A 8 7.712 -13.887 -9.290 1.00 1.50 N ATOM 0 H GLN A 8 6.897 -11.286 -6.791 1.00 0.57 H new ATOM 0 HA GLN A 8 9.464 -10.130 -6.303 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.844 -10.224 -8.874 1.00 0.68 H new ATOM 0 HB3 GLN A 8 9.576 -9.997 -8.735 1.00 0.68 H new ATOM 0 HG2 GLN A 8 9.616 -12.224 -9.190 1.00 0.79 H new ATOM 0 HG3 GLN A 8 9.389 -12.361 -7.458 1.00 0.79 H new ATOM 0 HE21 GLN A 8 8.617 -14.211 -9.631 1.00 1.50 H new ATOM 0 HE22 GLN A 8 6.871 -14.434 -9.477 1.00 1.50 H new ATOM 842 N LEU A 9 6.937 -8.164 -6.936 1.00 0.60 N ATOM 843 CA LEU A 9 6.489 -6.775 -6.964 1.00 0.65 C ATOM 844 C LEU A 9 6.914 -6.033 -5.700 1.00 0.58 C ATOM 845 O LEU A 9 7.325 -4.874 -5.765 1.00 0.59 O ATOM 846 CB LEU A 9 4.968 -6.709 -7.123 1.00 0.74 C ATOM 847 CG LEU A 9 4.455 -6.432 -8.542 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.613 -4.963 -8.895 1.00 0.95 C ATOM 849 CD2 LEU A 9 5.178 -7.296 -9.570 1.00 1.02 C ATOM 0 H LEU A 9 6.181 -8.848 -6.966 1.00 0.60 H new ATOM 0 HA LEU A 9 6.959 -6.289 -7.819 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.545 -7.654 -6.782 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.586 -5.932 -6.461 1.00 0.74 H new ATOM 0 HG LEU A 9 3.396 -6.687 -8.564 1.00 0.94 H new ATOM 0 HD11 LEU A 9 4.243 -4.790 -9.905 1.00 0.95 H new ATOM 0 HD12 LEU A 9 4.044 -4.356 -8.191 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.666 -4.687 -8.842 1.00 0.95 H new ATOM 0 HD21 LEU A 9 4.792 -7.077 -10.566 1.00 1.02 H new ATOM 0 HD22 LEU A 9 6.246 -7.081 -9.539 1.00 1.02 H new ATOM 0 HD23 LEU A 9 5.013 -8.349 -9.341 1.00 1.02 H new ATOM 861 N LEU A 10 6.815 -6.705 -4.555 1.00 0.52 N ATOM 862 CA LEU A 10 7.194 -6.107 -3.279 1.00 0.46 C ATOM 863 C LEU A 10 8.686 -5.788 -3.267 1.00 0.41 C ATOM 864 O LEU A 10 9.093 -4.734 -2.787 1.00 0.38 O ATOM 865 CB LEU A 10 6.859 -7.049 -2.114 1.00 0.45 C ATOM 866 CG LEU A 10 6.215 -6.396 -0.879 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.692 -7.080 0.388 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.520 -4.908 -0.806 1.00 0.43 C ATOM 0 H LEU A 10 6.475 -7.664 -4.486 1.00 0.52 H new ATOM 0 HA LEU A 10 6.627 -5.184 -3.157 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.187 -7.824 -2.482 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.777 -7.546 -1.800 1.00 0.45 H new ATOM 0 HG LEU A 10 5.136 -6.515 -0.972 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.228 -6.607 1.254 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.416 -8.134 0.359 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.776 -6.991 0.464 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.048 -4.483 0.080 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.598 -4.760 -0.749 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.133 -4.413 -1.697 1.00 0.43 H new ATOM 880 N ILE A 11 9.488 -6.699 -3.810 1.00 0.41 N ATOM 881 CA ILE A 11 10.935 -6.516 -3.858 1.00 0.39 C ATOM 882 C ILE A 11 11.298 -5.201 -4.544 1.00 0.40 C ATOM 883 O ILE A 11 12.044 -4.393 -3.997 1.00 0.38 O ATOM 884 CB ILE A 11 11.625 -7.686 -4.593 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.317 -9.012 -3.895 1.00 0.48 C ATOM 886 CG2 ILE A 11 13.129 -7.458 -4.676 1.00 0.64 C ATOM 887 CD1 ILE A 11 11.892 -10.214 -4.609 1.00 0.99 C ATOM 0 H ILE A 11 9.160 -7.572 -4.223 1.00 0.41 H new ATOM 0 HA ILE A 11 11.290 -6.491 -2.828 1.00 0.39 H new ATOM 0 HB ILE A 11 11.233 -7.733 -5.609 1.00 0.44 H new ATOM 0 HG12 ILE A 11 11.711 -8.979 -2.879 1.00 0.48 H new ATOM 0 HG13 ILE A 11 10.236 -9.129 -3.814 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.595 -8.294 -5.197 1.00 0.64 H new ATOM 0 HG22 ILE A 11 13.328 -6.535 -5.220 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.542 -7.382 -3.670 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.636 -11.120 -4.060 1.00 0.99 H new ATOM 0 HD12 ILE A 11 11.479 -10.271 -5.616 1.00 0.99 H new ATOM 0 HD13 ILE A 11 12.976 -10.119 -4.666 1.00 0.99 H new ATOM 899 N ILE A 12 10.741 -4.980 -5.727 1.00 0.45 N ATOM 900 CA ILE A 12 11.014 -3.762 -6.485 1.00 0.46 C ATOM 901 C ILE A 12 10.448 -2.541 -5.757 1.00 0.44 C ATOM 902 O ILE A 12 11.047 -1.467 -5.767 1.00 0.44 O ATOM 903 CB ILE A 12 10.422 -3.830 -7.908 1.00 0.53 C ATOM 904 CG1 ILE A 12 10.711 -5.197 -8.538 1.00 0.54 C ATOM 905 CG2 ILE A 12 10.988 -2.713 -8.777 1.00 0.58 C ATOM 906 CD1 ILE A 12 10.027 -5.413 -9.872 1.00 0.61 C ATOM 0 H ILE A 12 10.098 -5.626 -6.184 1.00 0.45 H new ATOM 0 HA ILE A 12 12.097 -3.670 -6.568 1.00 0.46 H new ATOM 0 HB ILE A 12 9.342 -3.698 -7.841 1.00 0.53 H new ATOM 0 HG12 ILE A 12 11.787 -5.305 -8.671 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.395 -5.979 -7.847 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.559 -2.777 -9.777 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.739 -1.748 -8.336 1.00 0.58 H new ATOM 0 HG23 ILE A 12 12.071 -2.814 -8.840 1.00 0.58 H new ATOM 0 HD11 ILE A 12 10.279 -6.402 -10.254 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.947 -5.338 -9.744 1.00 0.61 H new ATOM 0 HD13 ILE A 12 10.361 -4.654 -10.579 1.00 0.61 H new ATOM 918 N ALA A 13 9.291 -2.723 -5.122 1.00 0.44 N ATOM 919 CA ALA A 13 8.643 -1.652 -4.367 1.00 0.45 C ATOM 920 C ALA A 13 9.546 -1.180 -3.243 1.00 0.39 C ATOM 921 O ALA A 13 9.744 0.015 -3.029 1.00 0.41 O ATOM 922 CB ALA A 13 7.329 -2.147 -3.771 1.00 0.49 C ATOM 0 H ALA A 13 8.781 -3.607 -5.116 1.00 0.44 H new ATOM 0 HA ALA A 13 8.447 -0.825 -5.049 1.00 0.45 H new ATOM 0 HB1 ALA A 13 6.856 -1.340 -3.211 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.665 -2.470 -4.573 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.526 -2.985 -3.103 1.00 0.49 H new ATOM 928 N VAL A 14 10.089 -2.158 -2.548 1.00 0.34 N ATOM 929 CA VAL A 14 10.971 -1.947 -1.420 1.00 0.29 C ATOM 930 C VAL A 14 12.250 -1.207 -1.817 1.00 0.29 C ATOM 931 O VAL A 14 12.711 -0.330 -1.087 1.00 0.31 O ATOM 932 CB VAL A 14 11.286 -3.322 -0.779 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.542 -3.303 0.078 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.083 -3.786 0.033 1.00 0.27 C ATOM 0 H VAL A 14 9.926 -3.143 -2.757 1.00 0.34 H new ATOM 0 HA VAL A 14 10.471 -1.308 -0.693 1.00 0.29 H new ATOM 0 HB VAL A 14 11.483 -4.027 -1.587 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.710 -4.294 0.499 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.397 -3.020 -0.536 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.421 -2.581 0.886 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.301 -4.753 0.486 1.00 0.27 H new ATOM 0 HG22 VAL A 14 9.870 -3.058 0.816 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.216 -3.879 -0.621 1.00 0.27 H new ATOM 944 N ILE A 15 12.791 -1.523 -2.986 1.00 0.30 N ATOM 945 CA ILE A 15 14.014 -0.880 -3.455 1.00 0.32 C ATOM 946 C ILE A 15 13.745 0.541 -3.964 1.00 0.33 C ATOM 947 O ILE A 15 14.566 1.443 -3.786 1.00 0.34 O ATOM 948 CB ILE A 15 14.702 -1.694 -4.572 1.00 0.37 C ATOM 949 CG1 ILE A 15 14.825 -3.168 -4.168 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.073 -1.104 -4.861 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.359 -4.067 -5.265 1.00 0.42 C ATOM 0 H ILE A 15 12.405 -2.218 -3.626 1.00 0.30 H new ATOM 0 HA ILE A 15 14.680 -0.832 -2.594 1.00 0.32 H new ATOM 0 HB ILE A 15 14.094 -1.642 -5.475 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.481 -3.242 -3.300 1.00 0.36 H new ATOM 0 HG13 ILE A 15 13.845 -3.532 -3.859 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.558 -1.679 -5.650 1.00 0.41 H new ATOM 0 HG22 ILE A 15 15.963 -0.068 -5.183 1.00 0.41 H new ATOM 0 HG23 ILE A 15 16.683 -1.141 -3.958 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.416 -5.092 -4.900 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.692 -4.025 -6.126 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.353 -3.731 -5.559 1.00 0.42 H new ATOM 963 N VAL A 16 12.582 0.734 -4.574 1.00 0.35 N ATOM 964 CA VAL A 16 12.197 2.030 -5.134 1.00 0.38 C ATOM 965 C VAL A 16 12.198 3.147 -4.084 1.00 0.36 C ATOM 966 O VAL A 16 12.492 4.303 -4.395 1.00 0.38 O ATOM 967 CB VAL A 16 10.806 1.932 -5.820 1.00 0.44 C ATOM 968 CG1 VAL A 16 9.846 3.028 -5.364 1.00 0.51 C ATOM 969 CG2 VAL A 16 10.961 1.955 -7.332 1.00 0.47 C ATOM 0 H VAL A 16 11.881 0.003 -4.696 1.00 0.35 H new ATOM 0 HA VAL A 16 12.948 2.292 -5.879 1.00 0.38 H new ATOM 0 HB VAL A 16 10.367 0.982 -5.516 1.00 0.44 H new ATOM 0 HG11 VAL A 16 8.891 2.911 -5.875 1.00 0.51 H new ATOM 0 HG12 VAL A 16 9.693 2.953 -4.287 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.268 4.004 -5.603 1.00 0.51 H new ATOM 0 HG21 VAL A 16 9.979 1.886 -7.800 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.442 2.885 -7.634 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.574 1.111 -7.648 1.00 0.47 H new ATOM 979 N VAL A 17 11.914 2.796 -2.843 1.00 0.33 N ATOM 980 CA VAL A 17 11.850 3.786 -1.776 1.00 0.33 C ATOM 981 C VAL A 17 13.194 4.468 -1.513 1.00 0.33 C ATOM 982 O VAL A 17 13.260 5.698 -1.423 1.00 0.37 O ATOM 983 CB VAL A 17 11.317 3.189 -0.475 1.00 0.33 C ATOM 984 CG1 VAL A 17 10.772 4.286 0.424 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.257 2.137 -0.748 1.00 0.35 C ATOM 0 H VAL A 17 11.724 1.839 -2.547 1.00 0.33 H new ATOM 0 HA VAL A 17 11.153 4.545 -2.130 1.00 0.33 H new ATOM 0 HB VAL A 17 12.144 2.699 0.039 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.396 3.846 1.347 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.567 4.994 0.657 1.00 0.36 H new ATOM 0 HG13 VAL A 17 9.962 4.806 -0.087 1.00 0.36 H new ATOM 0 HG21 VAL A 17 9.896 1.730 0.197 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.426 2.590 -1.289 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.687 1.335 -1.348 1.00 0.35 H new ATOM 995 N LEU A 18 14.266 3.691 -1.410 1.00 0.31 N ATOM 996 CA LEU A 18 15.580 4.267 -1.145 1.00 0.34 C ATOM 997 C LEU A 18 16.131 4.958 -2.386 1.00 0.36 C ATOM 998 O LEU A 18 16.913 5.903 -2.285 1.00 0.40 O ATOM 999 CB LEU A 18 16.585 3.217 -0.640 1.00 0.34 C ATOM 1000 CG LEU A 18 16.664 1.905 -1.429 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.089 1.392 -1.440 1.00 0.39 C ATOM 1002 CD2 LEU A 18 15.746 0.846 -0.834 1.00 0.30 C ATOM 0 H LEU A 18 14.254 2.675 -1.504 1.00 0.31 H new ATOM 0 HA LEU A 18 15.445 5.005 -0.354 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.576 3.670 -0.633 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.337 2.978 0.394 1.00 0.34 H new ATOM 0 HG LEU A 18 16.339 2.108 -2.449 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.136 0.460 -2.003 1.00 0.39 H new ATOM 0 HD12 LEU A 18 18.738 2.132 -1.909 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.420 1.215 -0.417 1.00 0.39 H new ATOM 0 HD21 LEU A 18 15.825 -0.072 -1.416 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.039 0.648 0.197 1.00 0.30 H new ATOM 0 HD23 LEU A 18 14.716 1.203 -0.857 1.00 0.30 H new ATOM 1014 N LEU A 19 15.696 4.501 -3.554 1.00 0.36 N ATOM 1015 CA LEU A 19 16.148 5.069 -4.823 1.00 0.40 C ATOM 1016 C LEU A 19 15.811 6.554 -4.931 1.00 0.41 C ATOM 1017 O LEU A 19 16.591 7.341 -5.463 1.00 0.45 O ATOM 1018 CB LEU A 19 15.515 4.318 -5.996 1.00 0.41 C ATOM 1019 CG LEU A 19 15.930 2.855 -6.139 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.551 2.334 -7.513 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.422 2.687 -5.892 1.00 0.47 C ATOM 0 H LEU A 19 15.028 3.736 -3.651 1.00 0.36 H new ATOM 0 HA LEU A 19 17.232 4.962 -4.858 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.431 4.362 -5.891 1.00 0.41 H new ATOM 0 HB3 LEU A 19 15.767 4.841 -6.918 1.00 0.41 H new ATOM 0 HG LEU A 19 15.399 2.271 -5.387 1.00 0.44 H new ATOM 0 HD11 LEU A 19 15.852 1.290 -7.602 1.00 0.47 H new ATOM 0 HD12 LEU A 19 14.472 2.413 -7.647 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.056 2.924 -8.278 1.00 0.47 H new ATOM 0 HD21 LEU A 19 17.693 1.637 -6.000 1.00 0.47 H new ATOM 0 HD22 LEU A 19 17.980 3.281 -6.616 1.00 0.47 H new ATOM 0 HD23 LEU A 19 17.664 3.022 -4.884 1.00 0.47 H new ATOM 1033 N PHE A 20 14.652 6.934 -4.419 1.00 0.40 N ATOM 1034 CA PHE A 20 14.220 8.322 -4.489 1.00 0.44 C ATOM 1035 C PHE A 20 14.340 9.020 -3.140 1.00 0.47 C ATOM 1036 O PHE A 20 13.721 10.059 -2.912 1.00 0.51 O ATOM 1037 CB PHE A 20 12.784 8.387 -5.002 1.00 0.45 C ATOM 1038 CG PHE A 20 12.557 7.532 -6.218 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.349 7.684 -7.343 1.00 1.07 C ATOM 1040 CD2 PHE A 20 11.560 6.571 -6.231 1.00 1.06 C ATOM 1041 CE1 PHE A 20 13.151 6.894 -8.458 1.00 1.05 C ATOM 1042 CE2 PHE A 20 11.358 5.776 -7.342 1.00 1.12 C ATOM 1043 CZ PHE A 20 12.153 5.938 -8.457 1.00 0.53 C ATOM 0 H PHE A 20 13.997 6.306 -3.953 1.00 0.40 H new ATOM 0 HA PHE A 20 14.876 8.848 -5.182 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.106 8.070 -4.210 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.535 9.421 -5.240 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.131 8.429 -7.349 1.00 1.07 H new ATOM 0 HD2 PHE A 20 10.933 6.442 -5.361 1.00 1.06 H new ATOM 0 HE1 PHE A 20 13.775 7.023 -9.330 1.00 1.05 H new ATOM 0 HE2 PHE A 20 10.579 5.028 -7.338 1.00 1.12 H new ATOM 0 HZ PHE A 20 11.996 5.319 -9.328 1.00 0.53 H new ATOM 1053 N GLY A 21 15.132 8.435 -2.249 1.00 0.49 N ATOM 1054 CA GLY A 21 15.351 9.013 -0.929 1.00 0.55 C ATOM 1055 C GLY A 21 14.079 9.199 -0.121 1.00 0.56 C ATOM 1056 O GLY A 21 13.957 10.167 0.632 1.00 0.65 O ATOM 0 H GLY A 21 15.632 7.562 -2.416 1.00 0.49 H new ATOM 0 HA2 GLY A 21 16.034 8.372 -0.371 1.00 0.55 H new ATOM 0 HA3 GLY A 21 15.842 9.979 -1.043 1.00 0.55 H new ATOM 1060 N THR A 22 13.141 8.261 -0.262 1.00 0.54 N ATOM 1061 CA THR A 22 11.869 8.305 0.466 1.00 0.61 C ATOM 1062 C THR A 22 11.050 9.568 0.139 1.00 0.71 C ATOM 1063 O THR A 22 10.185 9.973 0.913 1.00 1.26 O ATOM 1064 CB THR A 22 12.113 8.233 1.994 1.00 0.71 C ATOM 1065 OG1 THR A 22 13.381 7.625 2.263 1.00 1.46 O ATOM 1066 CG2 THR A 22 11.029 7.431 2.694 1.00 0.60 C ATOM 0 H THR A 22 13.239 7.455 -0.879 1.00 0.54 H new ATOM 0 HA THR A 22 11.294 7.438 0.142 1.00 0.61 H new ATOM 0 HB THR A 22 12.097 9.254 2.375 1.00 0.71 H new ATOM 0 HG1 THR A 22 13.747 7.988 3.096 1.00 1.46 H new ATOM 0 HG21 THR A 22 11.232 7.401 3.764 1.00 0.60 H new ATOM 0 HG22 THR A 22 10.060 7.900 2.521 1.00 0.60 H new ATOM 0 HG23 THR A 22 11.016 6.415 2.299 1.00 0.60 H new ATOM 1074 N LYS A 23 11.303 10.167 -1.021 1.00 0.38 N ATOM 1075 CA LYS A 23 10.596 11.386 -1.418 1.00 0.45 C ATOM 1076 C LYS A 23 9.385 11.110 -2.311 1.00 0.47 C ATOM 1077 O LYS A 23 8.299 11.621 -2.057 1.00 0.81 O ATOM 1078 CB LYS A 23 11.547 12.335 -2.150 1.00 0.49 C ATOM 1079 CG LYS A 23 12.612 12.951 -1.258 1.00 0.56 C ATOM 1080 CD LYS A 23 13.799 13.454 -2.065 1.00 0.77 C ATOM 1081 CE LYS A 23 14.012 14.943 -1.862 1.00 0.99 C ATOM 1082 NZ LYS A 23 15.362 15.379 -2.312 1.00 1.33 N ATOM 0 H LYS A 23 11.987 9.833 -1.700 1.00 0.38 H new ATOM 0 HA LYS A 23 10.232 11.843 -0.498 1.00 0.45 H new ATOM 0 HB2 LYS A 23 12.035 11.791 -2.959 1.00 0.49 H new ATOM 0 HB3 LYS A 23 10.965 13.134 -2.609 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.180 13.777 -0.693 1.00 0.56 H new ATOM 0 HG3 LYS A 23 12.952 12.211 -0.533 1.00 0.56 H new ATOM 0 HD2 LYS A 23 14.698 12.912 -1.770 1.00 0.77 H new ATOM 0 HD3 LYS A 23 13.636 13.249 -3.123 1.00 0.77 H new ATOM 0 HE2 LYS A 23 13.250 15.496 -2.411 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.885 15.187 -0.807 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 15.466 16.402 -2.156 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 16.090 14.870 -1.770 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 15.475 15.170 -3.325 1.00 1.33 H new ATOM 1096 N LYS A 24 9.575 10.297 -3.348 1.00 0.42 N ATOM 1097 CA LYS A 24 8.508 9.995 -4.313 1.00 0.45 C ATOM 1098 C LYS A 24 7.191 9.574 -3.657 1.00 0.47 C ATOM 1099 O LYS A 24 6.173 10.248 -3.830 1.00 0.77 O ATOM 1100 CB LYS A 24 8.957 8.920 -5.298 1.00 0.50 C ATOM 1101 CG LYS A 24 9.724 9.469 -6.492 1.00 0.58 C ATOM 1102 CD LYS A 24 8.796 9.843 -7.634 1.00 0.73 C ATOM 1103 CE LYS A 24 9.565 10.415 -8.813 1.00 1.14 C ATOM 1104 NZ LYS A 24 8.729 10.477 -10.039 1.00 1.36 N ATOM 0 H LYS A 24 10.461 9.831 -3.546 1.00 0.42 H new ATOM 0 HA LYS A 24 8.316 10.928 -4.843 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.584 8.199 -4.774 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.081 8.379 -5.657 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.295 10.345 -6.186 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.442 8.725 -6.836 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.239 8.963 -7.954 1.00 0.73 H new ATOM 0 HD3 LYS A 24 8.065 10.573 -7.286 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.920 11.415 -8.564 1.00 1.14 H new ATOM 0 HE3 LYS A 24 10.446 9.802 -9.004 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 9.289 10.873 -10.821 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 8.411 9.520 -10.291 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 7.902 11.082 -9.865 1.00 1.36 H new ATOM 1118 N LEU A 25 7.205 8.472 -2.903 1.00 0.40 N ATOM 1119 CA LEU A 25 5.986 7.980 -2.253 1.00 0.41 C ATOM 1120 C LEU A 25 5.403 9.008 -1.289 1.00 0.36 C ATOM 1121 O LEU A 25 4.207 8.994 -1.016 1.00 0.42 O ATOM 1122 CB LEU A 25 6.219 6.665 -1.495 1.00 0.50 C ATOM 1123 CG LEU A 25 7.632 6.085 -1.535 1.00 0.41 C ATOM 1124 CD1 LEU A 25 8.511 6.738 -0.478 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.579 4.584 -1.316 1.00 0.43 C ATOM 0 H LEU A 25 8.037 7.908 -2.728 1.00 0.40 H new ATOM 0 HA LEU A 25 5.276 7.799 -3.060 1.00 0.41 H new ATOM 0 HB2 LEU A 25 5.946 6.822 -0.451 1.00 0.50 H new ATOM 0 HB3 LEU A 25 5.534 5.917 -1.894 1.00 0.50 H new ATOM 0 HG LEU A 25 8.065 6.289 -2.514 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.513 6.311 -0.523 1.00 0.66 H new ATOM 0 HD12 LEU A 25 8.565 7.811 -0.662 1.00 0.66 H new ATOM 0 HD13 LEU A 25 8.085 6.560 0.510 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.589 4.176 -1.346 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.131 4.374 -0.345 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.978 4.123 -2.100 1.00 0.43 H new ATOM 1137 N GLY A 26 6.249 9.900 -0.792 1.00 0.39 N ATOM 1138 CA GLY A 26 5.806 10.907 0.151 1.00 0.48 C ATOM 1139 C GLY A 26 4.725 11.805 -0.408 1.00 0.46 C ATOM 1140 O GLY A 26 3.714 12.063 0.248 1.00 0.69 O ATOM 0 H GLY A 26 7.241 9.944 -1.027 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.434 10.416 1.050 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.658 11.517 0.450 1.00 0.48 H new ATOM 1144 N SER A 27 4.921 12.274 -1.625 1.00 0.37 N ATOM 1145 CA SER A 27 3.961 13.164 -2.246 1.00 0.40 C ATOM 1146 C SER A 27 3.012 12.431 -3.197 1.00 0.41 C ATOM 1147 O SER A 27 1.789 12.546 -3.065 1.00 0.45 O ATOM 1148 CB SER A 27 4.707 14.273 -2.990 1.00 0.49 C ATOM 1149 OG SER A 27 6.111 14.071 -2.912 1.00 0.78 O ATOM 0 H SER A 27 5.733 12.054 -2.201 1.00 0.37 H new ATOM 0 HA SER A 27 3.344 13.592 -1.456 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.394 14.292 -4.034 1.00 0.49 H new ATOM 0 HB3 SER A 27 4.449 15.242 -2.563 1.00 0.49 H new ATOM 0 HG SER A 27 6.572 14.789 -3.395 1.00 0.78 H new ATOM 1155 N ILE A 28 3.563 11.668 -4.141 1.00 0.44 N ATOM 1156 CA ILE A 28 2.736 10.954 -5.114 1.00 0.52 C ATOM 1157 C ILE A 28 1.903 9.870 -4.441 1.00 0.51 C ATOM 1158 O ILE A 28 0.814 9.531 -4.907 1.00 0.55 O ATOM 1159 CB ILE A 28 3.568 10.337 -6.269 1.00 0.65 C ATOM 1160 CG1 ILE A 28 4.104 8.942 -5.902 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.719 11.259 -6.650 1.00 0.85 C ATOM 1162 CD1 ILE A 28 4.641 8.167 -7.090 1.00 1.52 C ATOM 0 H ILE A 28 4.567 11.529 -4.253 1.00 0.44 H new ATOM 0 HA ILE A 28 2.070 11.699 -5.549 1.00 0.52 H new ATOM 0 HB ILE A 28 2.904 10.224 -7.126 1.00 0.65 H new ATOM 0 HG12 ILE A 28 4.896 9.049 -5.161 1.00 1.36 H new ATOM 0 HG13 ILE A 28 3.305 8.366 -5.434 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.292 10.810 -7.462 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.322 12.221 -6.975 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.368 11.407 -5.787 1.00 0.85 H new ATOM 0 HD11 ILE A 28 5.002 7.194 -6.757 1.00 1.52 H new ATOM 0 HD12 ILE A 28 3.846 8.028 -7.823 1.00 1.52 H new ATOM 0 HD13 ILE A 28 5.462 8.722 -7.545 1.00 1.52 H new ATOM 1174 N GLY A 29 2.417 9.337 -3.343 1.00 0.50 N ATOM 1175 CA GLY A 29 1.709 8.306 -2.619 1.00 0.52 C ATOM 1176 C GLY A 29 0.476 8.855 -1.937 1.00 0.46 C ATOM 1177 O GLY A 29 -0.597 8.277 -2.041 1.00 0.51 O ATOM 0 H GLY A 29 3.316 9.602 -2.940 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.422 7.509 -3.306 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.371 7.863 -1.875 1.00 0.52 H new ATOM 1181 N SER A 30 0.635 9.983 -1.261 1.00 0.41 N ATOM 1182 CA SER A 30 -0.472 10.625 -0.563 1.00 0.41 C ATOM 1183 C SER A 30 -1.553 11.085 -1.543 1.00 0.39 C ATOM 1184 O SER A 30 -2.745 10.908 -1.297 1.00 0.42 O ATOM 1185 CB SER A 30 0.054 11.822 0.233 1.00 0.43 C ATOM 1186 OG SER A 30 1.163 11.453 1.038 1.00 0.95 O ATOM 0 H SER A 30 1.524 10.476 -1.180 1.00 0.41 H new ATOM 0 HA SER A 30 -0.920 9.899 0.115 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.347 12.618 -0.452 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.741 12.221 0.864 1.00 0.43 H new ATOM 0 HG SER A 30 1.990 11.774 0.622 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.130 11.656 -2.668 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.071 12.139 -3.677 1.00 0.42 C ATOM 1194 C ASP A 31 -2.899 10.976 -4.202 1.00 0.41 C ATOM 1195 O ASP A 31 -4.120 11.074 -4.356 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.328 12.816 -4.828 1.00 0.47 C ATOM 1197 CG ASP A 31 -2.183 13.838 -5.546 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -3.098 13.436 -6.296 1.00 1.29 O ATOM 1199 OD2 ASP A 31 -1.936 15.046 -5.362 1.00 1.28 O ATOM 0 H ASP A 31 -0.148 11.795 -2.904 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.731 12.874 -3.217 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.432 13.303 -4.442 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -0.998 12.059 -5.539 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.223 9.860 -4.454 1.00 0.39 N ATOM 1205 CA LEU A 32 -2.885 8.663 -4.934 1.00 0.41 C ATOM 1206 C LEU A 32 -3.696 8.031 -3.813 1.00 0.38 C ATOM 1207 O LEU A 32 -4.702 7.367 -4.060 1.00 0.40 O ATOM 1208 CB LEU A 32 -1.867 7.656 -5.472 1.00 0.44 C ATOM 1209 CG LEU A 32 -2.043 7.291 -6.945 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -1.360 8.309 -7.848 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -1.516 5.893 -7.221 1.00 1.28 C ATOM 0 H LEU A 32 -1.215 9.764 -4.332 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.554 8.945 -5.747 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -0.866 8.062 -5.330 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -1.929 6.745 -4.877 1.00 0.44 H new ATOM 0 HG LEU A 32 -3.110 7.306 -7.167 1.00 0.64 H new ATOM 0 HD11 LEU A 32 -1.502 8.024 -8.890 1.00 1.09 H new ATOM 0 HD12 LEU A 32 -1.794 9.294 -7.679 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.294 8.339 -7.622 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.652 5.655 -8.276 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -0.456 5.848 -6.972 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -2.062 5.172 -6.613 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.247 8.252 -2.585 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.920 7.719 -1.424 1.00 0.38 C ATOM 1225 C GLY A 33 -5.300 8.301 -1.253 1.00 0.35 C ATOM 1226 O GLY A 33 -6.283 7.573 -1.129 1.00 0.37 O ATOM 0 H GLY A 33 -2.414 8.801 -2.374 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -3.992 6.635 -1.513 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.326 7.927 -0.534 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.385 9.617 -1.270 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.661 10.295 -1.114 1.00 0.37 C ATOM 1232 C ALA A 34 -7.584 10.007 -2.296 1.00 0.37 C ATOM 1233 O ALA A 34 -8.800 10.162 -2.203 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.446 11.781 -0.934 1.00 0.41 C ATOM 0 H ALA A 34 -4.586 10.240 -1.390 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.149 9.910 -0.219 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.410 12.277 -0.818 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.839 11.956 -0.046 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -5.934 12.183 -1.808 1.00 0.41 H new ATOM 1240 N SER A 35 -6.998 9.593 -3.408 1.00 0.33 N ATOM 1241 CA SER A 35 -7.770 9.246 -4.589 1.00 0.35 C ATOM 1242 C SER A 35 -8.220 7.789 -4.493 1.00 0.34 C ATOM 1243 O SER A 35 -9.163 7.366 -5.166 1.00 0.38 O ATOM 1244 CB SER A 35 -6.936 9.466 -5.854 1.00 0.38 C ATOM 1245 OG SER A 35 -6.471 10.802 -5.922 1.00 0.41 O ATOM 0 H SER A 35 -5.989 9.489 -3.517 1.00 0.33 H new ATOM 0 HA SER A 35 -8.649 9.888 -4.645 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.089 8.780 -5.861 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.536 9.240 -6.735 1.00 0.38 H new ATOM 0 HG SER A 35 -5.660 10.894 -5.379 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.555 7.037 -3.622 1.00 0.35 N ATOM 1252 CA ILE A 36 -7.867 5.630 -3.422 1.00 0.39 C ATOM 1253 C ILE A 36 -9.177 5.477 -2.654 1.00 0.33 C ATOM 1254 O ILE A 36 -9.924 4.520 -2.860 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.710 4.882 -2.695 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.436 3.544 -3.388 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.999 4.665 -1.204 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -5.852 3.686 -4.780 1.00 0.94 C ATOM 0 H ILE A 36 -6.792 7.383 -3.041 1.00 0.35 H new ATOM 0 HA ILE A 36 -7.984 5.174 -4.405 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.823 5.513 -2.757 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -5.750 2.961 -2.774 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.367 2.980 -3.450 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.162 4.140 -0.744 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -7.135 5.630 -0.715 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.906 4.071 -1.092 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -5.685 2.697 -5.207 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -6.546 4.241 -5.411 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -4.904 4.222 -4.724 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.459 6.446 -1.790 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.676 6.428 -0.991 1.00 0.34 C ATOM 1272 C LYS A 37 -11.849 6.973 -1.792 1.00 0.31 C ATOM 1273 O LYS A 37 -12.998 6.875 -1.372 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.495 7.247 0.289 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.287 8.731 0.041 1.00 0.39 C ATOM 1276 CD LYS A 37 -10.026 9.490 1.332 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.858 10.978 1.073 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.755 11.747 2.339 1.00 0.68 N ATOM 0 H LYS A 37 -8.859 7.255 -1.626 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.885 5.394 -0.718 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.372 7.113 0.922 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.640 6.857 0.841 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.447 8.871 -0.639 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.168 9.144 -0.451 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.853 9.330 2.024 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -9.129 9.099 1.812 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -8.964 11.144 0.472 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.705 11.344 0.492 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.641 12.758 2.123 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -10.619 11.608 2.901 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.932 11.414 2.881 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.547 7.550 -2.949 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.581 8.113 -3.788 1.00 0.32 C ATOM 1294 C GLY A 38 -13.032 7.166 -4.882 1.00 0.31 C ATOM 1295 O GLY A 38 -14.231 6.995 -5.106 1.00 0.34 O ATOM 0 H GLY A 38 -10.601 7.637 -3.320 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.438 8.381 -3.170 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.214 9.034 -4.240 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.074 6.537 -5.553 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.380 5.618 -6.648 1.00 0.45 C ATOM 1301 C PHE A 39 -13.101 4.362 -6.153 1.00 0.35 C ATOM 1302 O PHE A 39 -13.906 3.778 -6.876 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.095 5.260 -7.422 1.00 0.64 C ATOM 1304 CG PHE A 39 -10.554 3.872 -7.175 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -9.788 3.602 -6.053 1.00 1.01 C ATOM 1306 CD2 PHE A 39 -10.804 2.843 -8.073 1.00 0.93 C ATOM 1307 CE1 PHE A 39 -9.285 2.335 -5.828 1.00 1.39 C ATOM 1308 CE2 PHE A 39 -10.300 1.573 -7.852 1.00 1.30 C ATOM 1309 CZ PHE A 39 -9.541 1.320 -6.728 1.00 1.48 C ATOM 0 H PHE A 39 -11.078 6.645 -5.360 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.063 6.125 -7.330 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.291 5.370 -8.489 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.322 5.984 -7.164 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -9.581 4.391 -5.345 1.00 1.01 H new ATOM 0 HD2 PHE A 39 -11.398 3.036 -8.954 1.00 0.93 H new ATOM 0 HE1 PHE A 39 -8.691 2.139 -4.948 1.00 1.39 H new ATOM 0 HE2 PHE A 39 -10.501 0.781 -8.558 1.00 1.30 H new ATOM 0 HZ PHE A 39 -9.148 0.330 -6.553 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.825 3.952 -4.921 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.456 2.761 -4.369 1.00 0.30 C ATOM 1321 C LYS A 40 -14.786 3.097 -3.714 1.00 0.32 C ATOM 1322 O LYS A 40 -15.649 2.235 -3.569 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.532 2.092 -3.354 1.00 0.41 C ATOM 1324 CG LYS A 40 -12.748 0.595 -3.239 1.00 0.86 C ATOM 1325 CD LYS A 40 -11.906 -0.172 -4.243 1.00 0.94 C ATOM 1326 CE LYS A 40 -12.191 -1.661 -4.169 1.00 1.41 C ATOM 1327 NZ LYS A 40 -11.253 -2.448 -5.007 1.00 1.48 N ATOM 0 H LYS A 40 -12.175 4.422 -4.291 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.644 2.071 -5.192 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.496 2.282 -3.636 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.685 2.550 -2.377 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -12.499 0.268 -2.230 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -13.802 0.366 -3.397 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.113 0.192 -5.249 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -10.849 0.009 -4.050 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -12.118 -1.993 -3.133 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -13.214 -1.851 -4.494 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -11.482 -3.459 -4.928 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -11.340 -2.150 -5.999 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -10.278 -2.287 -4.682 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.962 4.361 -3.356 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.187 4.800 -2.704 1.00 0.35 C ATOM 1343 C LYS A 41 -17.374 4.683 -3.653 1.00 0.38 C ATOM 1344 O LYS A 41 -18.527 4.641 -3.229 1.00 0.40 O ATOM 1345 CB LYS A 41 -16.044 6.241 -2.202 1.00 0.46 C ATOM 1346 CG LYS A 41 -17.247 6.732 -1.414 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.870 7.846 -0.452 1.00 0.82 C ATOM 1348 CE LYS A 41 -18.074 8.315 0.346 1.00 1.03 C ATOM 1349 NZ LYS A 41 -18.695 7.202 1.117 1.00 1.15 N ATOM 0 H LYS A 41 -14.274 5.099 -3.506 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.367 4.152 -1.847 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -15.155 6.312 -1.575 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.885 6.900 -3.055 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -18.013 7.089 -2.103 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -17.681 5.902 -0.857 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -16.094 7.495 0.228 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -16.451 8.684 -1.009 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -17.770 9.106 1.031 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.813 8.745 -0.330 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -18.950 7.538 2.068 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -19.550 6.874 0.625 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -18.019 6.416 1.198 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.086 4.606 -4.939 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.133 4.496 -5.932 1.00 0.54 C ATOM 1365 C ALA A 42 -18.441 3.038 -6.272 1.00 0.55 C ATOM 1366 O ALA A 42 -19.277 2.758 -7.129 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.753 5.272 -7.185 1.00 0.61 C ATOM 0 H ALA A 42 -16.139 4.618 -5.317 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.040 4.929 -5.509 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.549 5.181 -7.924 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.610 6.323 -6.933 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -16.828 4.868 -7.596 1.00 0.61 H new ATOM 1373 N MET A 43 -17.772 2.110 -5.600 1.00 0.51 N ATOM 1374 CA MET A 43 -17.989 0.692 -5.854 1.00 0.58 C ATOM 1375 C MET A 43 -18.416 -0.029 -4.584 1.00 0.58 C ATOM 1376 O MET A 43 -17.771 -0.974 -4.138 1.00 0.83 O ATOM 1377 CB MET A 43 -16.738 0.047 -6.448 1.00 0.76 C ATOM 1378 CG MET A 43 -16.567 0.339 -7.927 1.00 0.88 C ATOM 1379 SD MET A 43 -15.040 -0.336 -8.605 1.00 0.98 S ATOM 1380 CE MET A 43 -13.828 0.466 -7.564 1.00 1.01 C ATOM 0 H MET A 43 -17.079 2.312 -4.879 1.00 0.51 H new ATOM 0 HA MET A 43 -18.795 0.601 -6.582 1.00 0.58 H new ATOM 0 HB2 MET A 43 -15.861 0.404 -5.909 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.786 -1.032 -6.299 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.415 -0.074 -8.474 1.00 0.88 H new ATOM 0 HG3 MET A 43 -16.582 1.418 -8.083 1.00 0.88 H new ATOM 0 HE1 MET A 43 -12.840 0.369 -8.014 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.078 1.522 -7.462 1.00 1.01 H new ATOM 0 HE3 MET A 43 -13.826 -0.003 -6.580 1.00 1.01 H new ATOM 1390 N SER A 44 -19.519 0.424 -4.015 1.00 0.62 N ATOM 1391 CA SER A 44 -20.064 -0.163 -2.801 1.00 0.76 C ATOM 1392 C SER A 44 -20.928 -1.373 -3.134 1.00 0.65 C ATOM 1393 O SER A 44 -22.023 -1.533 -2.599 1.00 0.73 O ATOM 1394 CB SER A 44 -20.901 0.882 -2.067 1.00 1.02 C ATOM 1395 OG SER A 44 -21.633 1.679 -2.985 1.00 1.20 O ATOM 0 H SER A 44 -20.062 1.207 -4.379 1.00 0.62 H new ATOM 0 HA SER A 44 -19.241 -0.489 -2.165 1.00 0.76 H new ATOM 0 HB2 SER A 44 -21.588 0.387 -1.380 1.00 1.02 H new ATOM 0 HB3 SER A 44 -20.251 1.517 -1.465 1.00 1.02 H new ATOM 0 HG SER A 44 -22.163 2.340 -2.493 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.414 -2.239 -3.997 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.144 -3.430 -4.431 1.00 0.76 C ATOM 1403 C ASP A 45 -21.071 -4.545 -3.395 1.00 0.90 C ATOM 1404 O ASP A 45 -20.798 -5.697 -3.736 1.00 1.22 O ATOM 1405 CB ASP A 45 -20.597 -3.925 -5.768 1.00 0.95 C ATOM 1406 CG ASP A 45 -21.622 -3.819 -6.880 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -21.951 -2.682 -7.274 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -22.093 -4.870 -7.362 1.00 1.63 O ATOM 0 H ASP A 45 -19.489 -2.141 -4.414 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.191 -3.150 -4.548 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -19.713 -3.345 -6.034 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -20.279 -4.963 -5.667 1.00 0.95 H new