USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 0:sc= 0.527 USER MOD Set 1.2: B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.117 (180deg=-0.0422) USER MOD Single : A 5 SER OG : rot 93:sc= 0.0885 USER MOD Single : A 8 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.46) 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= 0.0395 USER MOD Single : A 30 SER OG : rot 121:sc= 1.26 USER MOD Single : A 35 SER OG : rot 73:sc= 1.21 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+ -113:sc= -0.245 (180deg=-0.578) USER MOD Single : A 43 MET CE :methyl -166:sc= 0 (180deg=-0.324) USER MOD Single : A 44 SER OG : rot 42:sc= 0.378 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 141:sc= 0.0323 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0.0577 USER MOD Single : B 8 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -161:sc= -0.0525 (180deg=-0.346) USER MOD Single : B 27 SER OG : rot -140:sc= -0.459 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 78:sc= 1.17 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+ -113:sc= 0.871 (180deg=-0.982!) USER MOD Single : B 43 MET CE :methyl 168:sc=-0.00135 (180deg=-0.186) USER MOD Single : B 44 SER OG : rot 131:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET B 1 -3.268 -7.848 -8.517 1.00 7.77 N ATOM 2 CA MET B 1 -4.337 -8.799 -8.151 1.00 7.06 C ATOM 3 C MET B 1 -3.736 -10.151 -7.807 1.00 6.64 C ATOM 4 O MET B 1 -2.522 -10.332 -7.891 1.00 7.05 O ATOM 5 CB MET B 1 -5.334 -8.947 -9.300 1.00 7.36 C ATOM 6 CG MET B 1 -6.744 -8.530 -8.931 1.00 7.37 C ATOM 7 SD MET B 1 -7.370 -9.415 -7.489 1.00 7.32 S ATOM 8 CE MET B 1 -9.032 -8.761 -7.384 1.00 8.01 C ATOM 0 H1 MET B 1 -3.588 -7.254 -9.308 1.00 7.77 H new ATOM 0 H2 MET B 1 -3.045 -7.245 -7.699 1.00 7.77 H new ATOM 0 H3 MET B 1 -2.417 -8.374 -8.801 1.00 7.77 H new ATOM 0 HA MET B 1 -4.864 -8.412 -7.279 1.00 7.06 H new ATOM 0 HB2 MET B 1 -4.995 -8.347 -10.145 1.00 7.36 H new ATOM 0 HB3 MET B 1 -5.345 -9.986 -9.630 1.00 7.36 H new ATOM 0 HG2 MET B 1 -6.762 -7.458 -8.732 1.00 7.37 H new ATOM 0 HG3 MET B 1 -7.406 -8.708 -9.778 1.00 7.37 H new ATOM 0 HE1 MET B 1 -9.548 -9.214 -6.538 1.00 8.01 H new ATOM 0 HE2 MET B 1 -8.990 -7.680 -7.247 1.00 8.01 H new ATOM 0 HE3 MET B 1 -9.572 -8.990 -8.303 1.00 8.01 H new ATOM 18 N GLY B 2 -4.579 -11.097 -7.421 1.00 6.08 N ATOM 19 CA GLY B 2 -4.095 -12.414 -7.070 1.00 5.90 C ATOM 20 C GLY B 2 -3.943 -12.585 -5.572 1.00 5.47 C ATOM 21 O GLY B 2 -4.328 -11.703 -4.802 1.00 5.93 O ATOM 0 H GLY B 2 -5.589 -10.975 -7.345 1.00 6.08 H new ATOM 0 HA2 GLY B 2 -4.784 -13.167 -7.452 1.00 5.90 H new ATOM 0 HA3 GLY B 2 -3.134 -12.587 -7.554 1.00 5.90 H new ATOM 25 N GLY B 3 -3.385 -13.719 -5.161 1.00 4.80 N ATOM 26 CA GLY B 3 -3.186 -13.979 -3.750 1.00 4.56 C ATOM 27 C GLY B 3 -2.090 -13.112 -3.174 1.00 3.81 C ATOM 28 O GLY B 3 -1.185 -12.687 -3.893 1.00 4.08 O ATOM 0 H GLY B 3 -3.067 -14.463 -5.782 1.00 4.80 H new ATOM 0 HA2 GLY B 3 -4.116 -13.797 -3.211 1.00 4.56 H new ATOM 0 HA3 GLY B 3 -2.934 -15.029 -3.605 1.00 4.56 H new ATOM 32 N ILE B 4 -2.158 -12.841 -1.882 1.00 3.11 N ATOM 33 CA ILE B 4 -1.157 -12.004 -1.247 1.00 2.52 C ATOM 34 C ILE B 4 -0.404 -12.774 -0.171 1.00 1.74 C ATOM 35 O ILE B 4 -0.964 -13.123 0.868 1.00 1.73 O ATOM 36 CB ILE B 4 -1.784 -10.738 -0.622 1.00 2.66 C ATOM 37 CG1 ILE B 4 -2.762 -10.081 -1.600 1.00 3.57 C ATOM 38 CG2 ILE B 4 -0.690 -9.755 -0.224 1.00 2.83 C ATOM 39 CD1 ILE B 4 -3.604 -8.989 -0.978 1.00 4.20 C ATOM 0 H ILE B 4 -2.888 -13.185 -1.258 1.00 3.11 H new ATOM 0 HA ILE B 4 -0.460 -11.699 -2.028 1.00 2.52 H new ATOM 0 HB ILE B 4 -2.338 -11.029 0.271 1.00 2.66 H new ATOM 0 HG12 ILE B 4 -2.200 -9.663 -2.435 1.00 3.57 H new ATOM 0 HG13 ILE B 4 -3.421 -10.846 -2.010 1.00 3.57 H new ATOM 0 HG21 ILE B 4 -1.142 -8.866 0.216 1.00 2.83 H new ATOM 0 HG22 ILE B 4 -0.028 -10.223 0.504 1.00 2.83 H new ATOM 0 HG23 ILE B 4 -0.117 -9.472 -1.107 1.00 2.83 H new ATOM 0 HD11 ILE B 4 -4.272 -8.571 -1.731 1.00 4.20 H new ATOM 0 HD12 ILE B 4 -4.194 -9.405 -0.161 1.00 4.20 H new ATOM 0 HD13 ILE B 4 -2.954 -8.203 -0.593 1.00 4.20 H new ATOM 51 N SER B 5 0.866 -13.047 -0.428 1.00 1.48 N ATOM 52 CA SER B 5 1.707 -13.764 0.523 1.00 1.06 C ATOM 53 C SER B 5 2.110 -12.840 1.673 1.00 0.87 C ATOM 54 O SER B 5 3.240 -12.355 1.726 1.00 0.82 O ATOM 55 CB SER B 5 2.949 -14.302 -0.191 1.00 1.65 C ATOM 56 OG SER B 5 2.701 -14.466 -1.578 1.00 2.22 O ATOM 0 H SER B 5 1.340 -12.782 -1.291 1.00 1.48 H new ATOM 0 HA SER B 5 1.146 -14.602 0.936 1.00 1.06 H new ATOM 0 HB2 SER B 5 3.784 -13.616 -0.045 1.00 1.65 H new ATOM 0 HB3 SER B 5 3.240 -15.257 0.246 1.00 1.65 H new ATOM 0 HG SER B 5 3.508 -14.809 -2.016 1.00 2.22 H new ATOM 62 N ILE B 6 1.170 -12.608 2.579 1.00 0.84 N ATOM 63 CA ILE B 6 1.371 -11.738 3.738 1.00 0.73 C ATOM 64 C ILE B 6 2.643 -12.100 4.501 1.00 0.65 C ATOM 65 O ILE B 6 3.401 -11.219 4.907 1.00 0.58 O ATOM 66 CB ILE B 6 0.167 -11.823 4.704 1.00 0.78 C ATOM 67 CG1 ILE B 6 -1.151 -11.663 3.934 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.278 -10.772 5.798 1.00 0.74 C ATOM 69 CD1 ILE B 6 -1.318 -10.310 3.278 1.00 0.92 C ATOM 0 H ILE B 6 0.238 -13.020 2.533 1.00 0.84 H new ATOM 0 HA ILE B 6 1.466 -10.721 3.357 1.00 0.73 H new ATOM 0 HB ILE B 6 0.175 -12.806 5.175 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -1.209 -12.437 3.168 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.983 -11.829 4.619 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.580 -10.850 6.466 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.195 -10.932 6.365 1.00 0.74 H new ATOM 0 HG23 ILE B 6 0.298 -9.779 5.348 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -2.273 -10.275 2.754 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -1.293 -9.531 4.040 1.00 0.92 H new ATOM 0 HD13 ILE B 6 -0.508 -10.148 2.567 1.00 0.92 H new ATOM 81 N TRP B 7 2.868 -13.397 4.667 1.00 0.70 N ATOM 82 CA TRP B 7 4.033 -13.906 5.385 1.00 0.69 C ATOM 83 C TRP B 7 5.340 -13.314 4.844 1.00 0.57 C ATOM 84 O TRP B 7 6.066 -12.624 5.560 1.00 0.50 O ATOM 85 CB TRP B 7 4.075 -15.433 5.277 1.00 0.80 C ATOM 86 CG TRP B 7 4.390 -16.123 6.568 1.00 0.75 C ATOM 87 CD1 TRP B 7 3.544 -16.901 7.297 1.00 0.81 C ATOM 88 CD2 TRP B 7 5.632 -16.099 7.282 1.00 0.80 C ATOM 89 NE1 TRP B 7 4.177 -17.360 8.424 1.00 0.86 N ATOM 90 CE2 TRP B 7 5.460 -16.879 8.438 1.00 0.85 C ATOM 91 CE3 TRP B 7 6.870 -15.490 7.056 1.00 0.96 C ATOM 92 CZ2 TRP B 7 6.480 -17.070 9.369 1.00 1.00 C ATOM 93 CZ3 TRP B 7 7.881 -15.681 7.979 1.00 1.14 C ATOM 94 CH2 TRP B 7 7.680 -16.462 9.122 1.00 1.14 C ATOM 0 H TRP B 7 2.250 -14.126 4.309 1.00 0.70 H new ATOM 0 HA TRP B 7 3.940 -13.607 6.429 1.00 0.69 H new ATOM 0 HB2 TRP B 7 3.111 -15.788 4.912 1.00 0.80 H new ATOM 0 HB3 TRP B 7 4.821 -15.715 4.534 1.00 0.80 H new ATOM 0 HD1 TRP B 7 2.522 -17.125 7.027 1.00 0.81 H new ATOM 0 HE1 TRP B 7 3.761 -17.961 9.135 1.00 0.86 H new ATOM 0 HE3 TRP B 7 7.033 -14.883 6.178 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 6.328 -17.675 10.251 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 8.843 -15.219 7.815 1.00 1.14 H new ATOM 0 HH2 TRP B 7 8.490 -16.588 9.825 1.00 1.14 H new ATOM 105 N GLN B 8 5.618 -13.577 3.572 1.00 0.58 N ATOM 106 CA GLN B 8 6.838 -13.096 2.929 1.00 0.51 C ATOM 107 C GLN B 8 6.802 -11.587 2.723 1.00 0.41 C ATOM 108 O GLN B 8 7.842 -10.924 2.745 1.00 0.38 O ATOM 109 CB GLN B 8 7.040 -13.806 1.589 1.00 0.58 C ATOM 110 CG GLN B 8 7.672 -15.188 1.711 1.00 0.83 C ATOM 111 CD GLN B 8 6.737 -16.212 2.322 1.00 1.13 C ATOM 112 OE1 GLN B 8 6.702 -16.390 3.536 1.00 1.57 O ATOM 113 NE2 GLN B 8 5.984 -16.907 1.484 1.00 1.28 N ATOM 0 H GLN B 8 5.011 -14.124 2.961 1.00 0.58 H new ATOM 0 HA GLN B 8 7.676 -13.323 3.587 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.075 -13.901 1.090 1.00 0.58 H new ATOM 0 HB3 GLN B 8 7.669 -13.185 0.951 1.00 0.58 H new ATOM 0 HG2 GLN B 8 7.981 -15.529 0.723 1.00 0.83 H new ATOM 0 HG3 GLN B 8 8.573 -15.117 2.320 1.00 0.83 H new ATOM 0 HE21 GLN B 8 6.041 -16.731 0.481 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.347 -17.619 1.841 1.00 1.28 H new ATOM 122 N LEU B 9 5.607 -11.052 2.522 1.00 0.43 N ATOM 123 CA LEU B 9 5.431 -9.618 2.321 1.00 0.41 C ATOM 124 C LEU B 9 5.891 -8.851 3.555 1.00 0.37 C ATOM 125 O LEU B 9 6.562 -7.824 3.445 1.00 0.37 O ATOM 126 CB LEU B 9 3.961 -9.302 2.019 1.00 0.52 C ATOM 127 CG LEU B 9 3.578 -9.202 0.532 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.527 -7.747 0.097 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.549 -9.985 -0.348 1.00 0.59 C ATOM 0 H LEU B 9 4.741 -11.590 2.493 1.00 0.43 H new ATOM 0 HA LEU B 9 6.038 -9.308 1.471 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.343 -10.072 2.481 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.707 -8.358 2.502 1.00 0.52 H new ATOM 0 HG LEU B 9 2.589 -9.643 0.412 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.255 -7.692 -0.957 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.784 -7.215 0.692 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.505 -7.289 0.244 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.249 -9.893 -1.392 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.556 -9.586 -0.223 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.536 -11.036 -0.058 1.00 0.59 H new ATOM 141 N LEU B 10 5.543 -9.374 4.729 1.00 0.39 N ATOM 142 CA LEU B 10 5.916 -8.755 5.994 1.00 0.38 C ATOM 143 C LEU B 10 7.429 -8.673 6.143 1.00 0.35 C ATOM 144 O LEU B 10 7.954 -7.682 6.635 1.00 0.34 O ATOM 145 CB LEU B 10 5.333 -9.546 7.173 1.00 0.39 C ATOM 146 CG LEU B 10 4.247 -8.833 7.985 1.00 0.43 C ATOM 147 CD1 LEU B 10 3.903 -9.640 9.226 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.694 -7.434 8.376 1.00 0.42 C ATOM 0 H LEU B 10 4.999 -10.231 4.828 1.00 0.39 H new ATOM 0 HA LEU B 10 5.508 -7.744 5.997 1.00 0.38 H new ATOM 0 HB2 LEU B 10 4.920 -10.479 6.790 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.148 -9.811 7.846 1.00 0.39 H new ATOM 0 HG LEU B 10 3.357 -8.746 7.362 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.130 -9.122 9.794 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.539 -10.624 8.931 1.00 0.49 H new ATOM 0 HD13 LEU B 10 4.793 -9.753 9.845 1.00 0.49 H new ATOM 0 HD21 LEU B 10 3.906 -6.948 8.952 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.599 -7.497 8.980 1.00 0.42 H new ATOM 0 HD23 LEU B 10 4.898 -6.853 7.477 1.00 0.42 H new ATOM 160 N ILE B 11 8.122 -9.715 5.697 1.00 0.35 N ATOM 161 CA ILE B 11 9.578 -9.774 5.803 1.00 0.35 C ATOM 162 C ILE B 11 10.260 -8.586 5.117 1.00 0.31 C ATOM 163 O ILE B 11 10.943 -7.798 5.771 1.00 0.37 O ATOM 164 CB ILE B 11 10.140 -11.089 5.218 1.00 0.39 C ATOM 165 CG1 ILE B 11 9.455 -12.295 5.870 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.652 -11.156 5.410 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.873 -13.628 5.288 1.00 1.04 C ATOM 0 H ILE B 11 7.699 -10.533 5.257 1.00 0.35 H new ATOM 0 HA ILE B 11 9.801 -9.732 6.869 1.00 0.35 H new ATOM 0 HB ILE B 11 9.932 -11.112 4.148 1.00 0.39 H new ATOM 0 HG12 ILE B 11 9.674 -12.291 6.938 1.00 0.74 H new ATOM 0 HG13 ILE B 11 8.375 -12.187 5.766 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.031 -12.089 4.992 1.00 0.46 H new ATOM 0 HG22 ILE B 11 12.121 -10.314 4.902 1.00 0.46 H new ATOM 0 HG23 ILE B 11 11.886 -11.114 6.474 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.345 -14.431 5.802 1.00 1.04 H new ATOM 0 HD12 ILE B 11 9.628 -13.654 4.226 1.00 1.04 H new ATOM 0 HD13 ILE B 11 10.947 -13.760 5.416 1.00 1.04 H new ATOM 179 N ILE B 12 10.045 -8.443 3.814 1.00 0.25 N ATOM 180 CA ILE B 12 10.673 -7.368 3.050 1.00 0.23 C ATOM 181 C ILE B 12 10.153 -5.998 3.482 1.00 0.23 C ATOM 182 O ILE B 12 10.918 -5.034 3.564 1.00 0.21 O ATOM 183 CB ILE B 12 10.458 -7.536 1.527 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.524 -9.002 1.126 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.512 -6.761 0.756 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.938 -9.280 -0.241 1.00 0.32 C ATOM 0 H ILE B 12 9.442 -9.056 3.265 1.00 0.25 H new ATOM 0 HA ILE B 12 11.741 -7.429 3.260 1.00 0.23 H new ATOM 0 HB ILE B 12 9.469 -7.147 1.287 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.564 -9.328 1.140 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.993 -9.598 1.868 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.348 -6.889 -0.314 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.444 -5.703 1.010 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.502 -7.134 1.018 1.00 0.26 H new ATOM 0 HD11 ILE B 12 10.019 -10.344 -0.462 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.889 -8.985 -0.254 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.484 -8.711 -0.993 1.00 0.32 H new ATOM 198 N ALA B 13 8.860 -5.916 3.775 1.00 0.26 N ATOM 199 CA ALA B 13 8.255 -4.657 4.195 1.00 0.28 C ATOM 200 C ALA B 13 8.835 -4.197 5.544 1.00 0.26 C ATOM 201 O ALA B 13 9.068 -3.007 5.753 1.00 0.26 O ATOM 202 CB ALA B 13 6.744 -4.796 4.293 1.00 0.34 C ATOM 0 H ALA B 13 8.213 -6.703 3.730 1.00 0.26 H new ATOM 0 HA ALA B 13 8.487 -3.903 3.443 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.311 -3.847 4.608 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.340 -5.074 3.319 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.496 -5.567 5.022 1.00 0.34 H new ATOM 208 N VAL B 14 9.055 -5.152 6.459 1.00 0.25 N ATOM 209 CA VAL B 14 9.618 -4.854 7.783 1.00 0.25 C ATOM 210 C VAL B 14 11.040 -4.314 7.657 1.00 0.21 C ATOM 211 O VAL B 14 11.411 -3.355 8.339 1.00 0.21 O ATOM 212 CB VAL B 14 9.604 -6.105 8.709 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.693 -6.028 9.777 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.240 -6.257 9.367 1.00 0.36 C ATOM 0 H VAL B 14 8.851 -6.139 6.305 1.00 0.25 H new ATOM 0 HA VAL B 14 8.987 -4.090 8.238 1.00 0.25 H new ATOM 0 HB VAL B 14 9.805 -6.978 8.088 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.652 -6.919 10.404 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.670 -5.967 9.297 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.536 -5.143 10.394 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.243 -7.136 10.012 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.022 -5.370 9.962 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.476 -6.374 8.598 1.00 0.36 H new ATOM 224 N ILE B 15 11.828 -4.918 6.773 1.00 0.19 N ATOM 225 CA ILE B 15 13.202 -4.484 6.553 1.00 0.19 C ATOM 226 C ILE B 15 13.222 -3.040 6.045 1.00 0.18 C ATOM 227 O ILE B 15 14.136 -2.268 6.343 1.00 0.22 O ATOM 228 CB ILE B 15 13.929 -5.409 5.545 1.00 0.20 C ATOM 229 CG1 ILE B 15 13.972 -6.843 6.082 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.339 -4.910 5.266 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.440 -7.865 5.067 1.00 0.28 C ATOM 0 H ILE B 15 11.538 -5.709 6.198 1.00 0.19 H new ATOM 0 HA ILE B 15 13.729 -4.539 7.505 1.00 0.19 H new ATOM 0 HB ILE B 15 13.373 -5.396 4.608 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.633 -6.876 6.948 1.00 0.24 H new ATOM 0 HG13 ILE B 15 12.977 -7.120 6.430 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.827 -5.577 4.556 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.293 -3.905 4.847 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.908 -4.890 6.195 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.443 -8.855 5.523 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.766 -7.862 4.210 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.448 -7.614 4.737 1.00 0.28 H new ATOM 243 N VAL B 16 12.175 -2.678 5.312 1.00 0.18 N ATOM 244 CA VAL B 16 12.037 -1.341 4.753 1.00 0.21 C ATOM 245 C VAL B 16 11.954 -0.283 5.855 1.00 0.22 C ATOM 246 O VAL B 16 12.489 0.816 5.713 1.00 0.24 O ATOM 247 CB VAL B 16 10.793 -1.278 3.831 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.989 0.004 4.011 1.00 0.26 C ATOM 249 CG2 VAL B 16 11.213 -1.441 2.383 1.00 0.28 C ATOM 0 H VAL B 16 11.400 -3.303 5.090 1.00 0.18 H new ATOM 0 HA VAL B 16 12.925 -1.124 4.159 1.00 0.21 H new ATOM 0 HB VAL B 16 10.138 -2.101 4.118 1.00 0.24 H new ATOM 0 HG11 VAL B 16 9.130 -0.008 3.340 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.643 0.075 5.042 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.618 0.864 3.780 1.00 0.26 H new ATOM 0 HG21 VAL B 16 10.333 -1.396 1.742 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.902 -0.641 2.112 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.707 -2.404 2.254 1.00 0.28 H new ATOM 259 N VAL B 17 11.322 -0.629 6.967 1.00 0.23 N ATOM 260 CA VAL B 17 11.167 0.308 8.075 1.00 0.27 C ATOM 261 C VAL B 17 12.518 0.835 8.553 1.00 0.28 C ATOM 262 O VAL B 17 12.704 2.044 8.690 1.00 0.33 O ATOM 263 CB VAL B 17 10.425 -0.326 9.271 1.00 0.29 C ATOM 264 CG1 VAL B 17 10.078 0.729 10.312 1.00 0.35 C ATOM 265 CG2 VAL B 17 9.172 -1.046 8.801 1.00 0.30 C ATOM 0 H VAL B 17 10.909 -1.548 7.128 1.00 0.23 H new ATOM 0 HA VAL B 17 10.570 1.135 7.691 1.00 0.27 H new ATOM 0 HB VAL B 17 11.088 -1.056 9.735 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.556 0.260 11.146 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.993 1.197 10.675 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.436 1.487 9.862 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.662 -1.486 9.658 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.507 -0.336 8.309 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.446 -1.833 8.098 1.00 0.30 H new ATOM 275 N LEU B 18 13.463 -0.068 8.776 1.00 0.29 N ATOM 276 CA LEU B 18 14.791 0.316 9.248 1.00 0.32 C ATOM 277 C LEU B 18 15.681 0.772 8.096 1.00 0.33 C ATOM 278 O LEU B 18 16.698 1.431 8.307 1.00 0.44 O ATOM 279 CB LEU B 18 15.444 -0.847 10.003 1.00 0.32 C ATOM 280 CG LEU B 18 15.500 -2.179 9.242 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.905 -2.761 9.290 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.502 -3.171 9.824 1.00 0.24 C ATOM 0 H LEU B 18 13.337 -1.071 8.639 1.00 0.29 H new ATOM 0 HA LEU B 18 14.674 1.158 9.930 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.460 -0.558 10.271 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.901 -1.003 10.935 1.00 0.32 H new ATOM 0 HG LEU B 18 15.235 -1.989 8.202 1.00 0.28 H new ATOM 0 HD11 LEU B 18 16.927 -3.705 8.746 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.604 -2.062 8.832 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.192 -2.934 10.327 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.557 -4.109 9.271 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.739 -3.353 10.872 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.495 -2.762 9.746 1.00 0.24 H new ATOM 294 N LEU B 19 15.283 0.427 6.879 1.00 0.26 N ATOM 295 CA LEU B 19 16.037 0.798 5.688 1.00 0.28 C ATOM 296 C LEU B 19 16.060 2.321 5.521 1.00 0.31 C ATOM 297 O LEU B 19 17.073 2.896 5.122 1.00 0.35 O ATOM 298 CB LEU B 19 15.418 0.139 4.448 1.00 0.24 C ATOM 299 CG LEU B 19 16.409 -0.349 3.381 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.698 -1.170 2.313 1.00 0.22 C ATOM 301 CD2 LEU B 19 17.120 0.823 2.733 1.00 0.28 C ATOM 0 H LEU B 19 14.438 -0.112 6.690 1.00 0.26 H new ATOM 0 HA LEU B 19 17.063 0.447 5.801 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.818 -0.710 4.774 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.736 0.852 3.984 1.00 0.24 H new ATOM 0 HG LEU B 19 17.145 -0.981 3.878 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.421 -1.504 1.569 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.226 -2.037 2.775 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.937 -0.557 1.830 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.817 0.455 1.980 1.00 0.28 H new ATOM 0 HD22 LEU B 19 16.387 1.477 2.260 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.667 1.381 3.492 1.00 0.28 H new ATOM 313 N PHE B 20 14.944 2.970 5.835 1.00 0.32 N ATOM 314 CA PHE B 20 14.837 4.424 5.697 1.00 0.37 C ATOM 315 C PHE B 20 14.538 5.079 7.040 1.00 0.40 C ATOM 316 O PHE B 20 14.299 6.280 7.118 1.00 0.59 O ATOM 317 CB PHE B 20 13.753 4.765 4.671 1.00 0.39 C ATOM 318 CG PHE B 20 13.621 3.702 3.625 1.00 0.34 C ATOM 319 CD1 PHE B 20 14.583 3.551 2.639 1.00 1.05 C ATOM 320 CD2 PHE B 20 12.565 2.814 3.661 1.00 0.96 C ATOM 321 CE1 PHE B 20 14.481 2.537 1.713 1.00 1.02 C ATOM 322 CE2 PHE B 20 12.471 1.792 2.743 1.00 0.97 C ATOM 323 CZ PHE B 20 13.430 1.654 1.768 1.00 0.29 C ATOM 0 H PHE B 20 14.101 2.516 6.186 1.00 0.32 H new ATOM 0 HA PHE B 20 15.792 4.815 5.346 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.798 4.893 5.181 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.990 5.716 4.194 1.00 0.39 H new ATOM 0 HD1 PHE B 20 15.419 4.234 2.597 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.803 2.922 4.419 1.00 0.96 H new ATOM 0 HE1 PHE B 20 15.230 2.436 0.941 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.644 1.099 2.789 1.00 0.97 H new ATOM 0 HZ PHE B 20 13.357 0.853 1.047 1.00 0.29 H new ATOM 333 N GLY B 21 14.537 4.267 8.087 1.00 0.30 N ATOM 334 CA GLY B 21 14.290 4.760 9.432 1.00 0.33 C ATOM 335 C GLY B 21 12.921 5.392 9.609 1.00 0.27 C ATOM 336 O GLY B 21 12.782 6.380 10.330 1.00 0.34 O ATOM 0 H GLY B 21 14.705 3.263 8.030 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.393 3.935 10.136 1.00 0.33 H new ATOM 0 HA3 GLY B 21 15.055 5.494 9.687 1.00 0.33 H new ATOM 340 N THR B 22 11.913 4.824 8.950 1.00 0.27 N ATOM 341 CA THR B 22 10.538 5.328 9.031 1.00 0.33 C ATOM 342 C THR B 22 10.438 6.804 8.610 1.00 0.42 C ATOM 343 O THR B 22 9.511 7.512 9.007 1.00 0.59 O ATOM 344 CB THR B 22 9.973 5.160 10.457 1.00 0.35 C ATOM 345 OG1 THR B 22 10.556 4.004 11.075 1.00 0.85 O ATOM 346 CG2 THR B 22 8.455 5.010 10.439 1.00 0.74 C ATOM 0 H THR B 22 12.022 4.007 8.348 1.00 0.27 H new ATOM 0 HA THR B 22 9.946 4.735 8.335 1.00 0.33 H new ATOM 0 HB THR B 22 10.224 6.055 11.026 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.197 3.901 11.981 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.089 4.894 11.459 1.00 0.74 H new ATOM 0 HG22 THR B 22 8.007 5.897 9.992 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.183 4.132 9.853 1.00 0.74 H new ATOM 354 N LYS B 23 11.387 7.246 7.782 1.00 0.41 N ATOM 355 CA LYS B 23 11.430 8.631 7.306 1.00 0.58 C ATOM 356 C LYS B 23 10.116 9.055 6.661 1.00 0.73 C ATOM 357 O LYS B 23 9.617 10.152 6.914 1.00 1.13 O ATOM 358 CB LYS B 23 12.562 8.815 6.295 1.00 0.57 C ATOM 359 CG LYS B 23 13.837 9.377 6.901 1.00 0.79 C ATOM 360 CD LYS B 23 14.973 9.382 5.889 1.00 0.96 C ATOM 361 CE LYS B 23 14.698 10.346 4.742 1.00 1.41 C ATOM 362 NZ LYS B 23 15.727 10.252 3.674 1.00 1.89 N ATOM 0 H LYS B 23 12.142 6.660 7.425 1.00 0.41 H new ATOM 0 HA LYS B 23 11.604 9.260 8.179 1.00 0.58 H new ATOM 0 HB2 LYS B 23 12.783 7.853 5.832 1.00 0.57 H new ATOM 0 HB3 LYS B 23 12.223 9.481 5.501 1.00 0.57 H new ATOM 0 HG2 LYS B 23 13.658 10.392 7.255 1.00 0.79 H new ATOM 0 HG3 LYS B 23 14.123 8.783 7.769 1.00 0.79 H new ATOM 0 HD2 LYS B 23 15.902 9.662 6.385 1.00 0.96 H new ATOM 0 HD3 LYS B 23 15.113 8.376 5.494 1.00 0.96 H new ATOM 0 HE2 LYS B 23 13.716 10.134 4.319 1.00 1.41 H new ATOM 0 HE3 LYS B 23 14.666 11.366 5.126 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 15.501 10.925 2.914 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 16.661 10.479 4.071 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 15.740 9.286 3.289 1.00 1.89 H new ATOM 376 N LYS B 24 9.568 8.195 5.816 1.00 0.73 N ATOM 377 CA LYS B 24 8.315 8.508 5.147 1.00 1.03 C ATOM 378 C LYS B 24 7.254 7.448 5.385 1.00 0.71 C ATOM 379 O LYS B 24 6.100 7.641 5.018 1.00 0.55 O ATOM 380 CB LYS B 24 8.542 8.681 3.649 1.00 1.60 C ATOM 381 CG LYS B 24 9.195 10.003 3.288 1.00 2.50 C ATOM 382 CD LYS B 24 8.236 11.166 3.474 1.00 3.67 C ATOM 383 CE LYS B 24 8.962 12.500 3.418 1.00 4.88 C ATOM 384 NZ LYS B 24 9.872 12.685 4.578 1.00 5.98 N ATOM 0 H LYS B 24 9.965 7.286 5.579 1.00 0.73 H new ATOM 0 HA LYS B 24 7.951 9.442 5.574 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.167 7.865 3.287 1.00 1.60 H new ATOM 0 HB3 LYS B 24 7.585 8.604 3.133 1.00 1.60 H new ATOM 0 HG2 LYS B 24 10.078 10.155 3.908 1.00 2.50 H new ATOM 0 HG3 LYS B 24 9.534 9.972 2.253 1.00 2.50 H new ATOM 0 HD2 LYS B 24 7.470 11.135 2.699 1.00 3.67 H new ATOM 0 HD3 LYS B 24 7.725 11.068 4.432 1.00 3.67 H new ATOM 0 HE2 LYS B 24 9.535 12.563 2.493 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.233 13.310 3.396 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 10.096 13.695 4.686 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 9.408 12.339 5.442 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 10.750 12.151 4.419 1.00 5.98 H new ATOM 398 N LEU B 25 7.627 6.342 6.015 1.00 0.71 N ATOM 399 CA LEU B 25 6.675 5.265 6.273 1.00 0.62 C ATOM 400 C LEU B 25 5.474 5.780 7.062 1.00 0.44 C ATOM 401 O LEU B 25 4.342 5.348 6.841 1.00 0.56 O ATOM 402 CB LEU B 25 7.347 4.119 7.021 1.00 0.76 C ATOM 403 CG LEU B 25 8.079 3.105 6.138 1.00 0.71 C ATOM 404 CD1 LEU B 25 9.577 3.353 6.168 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.762 1.692 6.600 1.00 0.75 C ATOM 0 H LEU B 25 8.572 6.166 6.355 1.00 0.71 H new ATOM 0 HA LEU B 25 6.321 4.891 5.312 1.00 0.62 H new ATOM 0 HB2 LEU B 25 8.059 4.538 7.732 1.00 0.76 H new ATOM 0 HB3 LEU B 25 6.590 3.592 7.601 1.00 0.76 H new ATOM 0 HG LEU B 25 7.737 3.224 5.110 1.00 0.71 H new ATOM 0 HD11 LEU B 25 10.080 2.622 5.534 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.787 4.357 5.800 1.00 0.86 H new ATOM 0 HD13 LEU B 25 9.941 3.258 7.191 1.00 0.86 H new ATOM 0 HD21 LEU B 25 8.286 0.976 5.967 1.00 0.75 H new ATOM 0 HD22 LEU B 25 8.084 1.566 7.634 1.00 0.75 H new ATOM 0 HD23 LEU B 25 6.688 1.519 6.531 1.00 0.75 H new ATOM 417 N GLY B 26 5.726 6.711 7.975 1.00 0.42 N ATOM 418 CA GLY B 26 4.656 7.278 8.768 1.00 0.53 C ATOM 419 C GLY B 26 3.856 8.307 7.989 1.00 0.60 C ATOM 420 O GLY B 26 2.641 8.412 8.148 1.00 0.87 O ATOM 0 H GLY B 26 6.654 7.082 8.179 1.00 0.42 H new ATOM 0 HA2 GLY B 26 3.992 6.481 9.104 1.00 0.53 H new ATOM 0 HA3 GLY B 26 5.074 7.743 9.661 1.00 0.53 H new ATOM 424 N SER B 27 4.544 9.061 7.142 1.00 0.53 N ATOM 425 CA SER B 27 3.912 10.093 6.327 1.00 0.58 C ATOM 426 C SER B 27 2.982 9.485 5.278 1.00 0.51 C ATOM 427 O SER B 27 1.784 9.765 5.265 1.00 0.53 O ATOM 428 CB SER B 27 4.993 10.925 5.647 1.00 0.66 C ATOM 429 OG SER B 27 6.218 10.830 6.357 1.00 0.89 O ATOM 0 H SER B 27 5.551 8.976 7.000 1.00 0.53 H new ATOM 0 HA SER B 27 3.308 10.726 6.977 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.133 10.581 4.622 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.678 11.967 5.593 1.00 0.66 H new ATOM 0 HG SER B 27 6.653 11.708 6.378 1.00 0.89 H new ATOM 435 N ILE B 28 3.540 8.632 4.413 1.00 0.47 N ATOM 436 CA ILE B 28 2.760 7.987 3.356 1.00 0.44 C ATOM 437 C ILE B 28 1.673 7.105 3.976 1.00 0.42 C ATOM 438 O ILE B 28 0.592 6.925 3.406 1.00 0.41 O ATOM 439 CB ILE B 28 3.651 7.116 2.418 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.789 5.679 2.944 1.00 1.16 C ATOM 441 CG2 ILE B 28 5.029 7.733 2.262 1.00 0.80 C ATOM 442 CD1 ILE B 28 4.488 4.738 1.985 1.00 1.25 C ATOM 0 H ILE B 28 4.527 8.374 4.425 1.00 0.47 H new ATOM 0 HA ILE B 28 2.310 8.778 2.756 1.00 0.44 H new ATOM 0 HB ILE B 28 3.158 7.082 1.446 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.340 5.698 3.884 1.00 1.16 H new ATOM 0 HG13 ILE B 28 2.796 5.286 3.164 1.00 1.16 H new ATOM 0 HG21 ILE B 28 5.634 7.110 1.604 1.00 0.80 H new ATOM 0 HG22 ILE B 28 4.935 8.730 1.832 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.509 7.803 3.238 1.00 0.80 H new ATOM 0 HD11 ILE B 28 4.546 3.744 2.428 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.927 4.687 1.052 1.00 1.25 H new ATOM 0 HD13 ILE B 28 5.494 5.105 1.784 1.00 1.25 H new ATOM 454 N GLY B 29 1.975 6.575 5.159 1.00 0.46 N ATOM 455 CA GLY B 29 1.048 5.712 5.856 1.00 0.48 C ATOM 456 C GLY B 29 -0.093 6.478 6.481 1.00 0.46 C ATOM 457 O GLY B 29 -1.169 5.928 6.693 1.00 0.50 O ATOM 0 H GLY B 29 2.856 6.733 5.648 1.00 0.46 H new ATOM 0 HA2 GLY B 29 0.649 4.975 5.160 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.581 5.162 6.632 1.00 0.48 H new ATOM 461 N SER B 30 0.139 7.745 6.783 1.00 0.43 N ATOM 462 CA SER B 30 -0.886 8.581 7.378 1.00 0.45 C ATOM 463 C SER B 30 -1.920 8.956 6.321 1.00 0.42 C ATOM 464 O SER B 30 -3.123 8.782 6.525 1.00 0.45 O ATOM 465 CB SER B 30 -0.261 9.837 7.996 1.00 0.47 C ATOM 466 OG SER B 30 -0.939 10.218 9.180 1.00 0.94 O ATOM 0 H SER B 30 1.030 8.216 6.625 1.00 0.43 H new ATOM 0 HA SER B 30 -1.382 8.025 8.174 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.790 9.651 8.219 1.00 0.47 H new ATOM 0 HB3 SER B 30 -0.294 10.655 7.276 1.00 0.47 H new ATOM 0 HG SER B 30 -0.519 11.020 9.554 1.00 0.94 H new ATOM 472 N ASP B 31 -1.439 9.441 5.180 1.00 0.37 N ATOM 473 CA ASP B 31 -2.313 9.834 4.081 1.00 0.38 C ATOM 474 C ASP B 31 -3.117 8.642 3.575 1.00 0.37 C ATOM 475 O ASP B 31 -4.351 8.677 3.544 1.00 0.39 O ATOM 476 CB ASP B 31 -1.501 10.438 2.937 1.00 0.38 C ATOM 477 CG ASP B 31 -1.094 11.869 3.220 1.00 0.96 C ATOM 478 OD1 ASP B 31 -0.137 12.077 3.989 1.00 1.48 O ATOM 479 OD2 ASP B 31 -1.739 12.787 2.676 1.00 1.35 O ATOM 0 H ASP B 31 -0.445 9.571 4.993 1.00 0.37 H new ATOM 0 HA ASP B 31 -3.006 10.587 4.457 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.609 9.835 2.768 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -2.088 10.403 2.019 1.00 0.38 H new ATOM 484 N LEU B 32 -2.418 7.578 3.191 1.00 0.36 N ATOM 485 CA LEU B 32 -3.080 6.375 2.701 1.00 0.36 C ATOM 486 C LEU B 32 -3.868 5.698 3.817 1.00 0.38 C ATOM 487 O LEU B 32 -4.873 5.038 3.561 1.00 0.40 O ATOM 488 CB LEU B 32 -2.075 5.410 2.075 1.00 0.36 C ATOM 489 CG LEU B 32 -1.892 5.605 0.569 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.421 5.649 0.193 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.606 4.508 -0.200 1.00 0.57 C ATOM 0 H LEU B 32 -1.400 7.525 3.210 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.784 6.671 1.923 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.111 5.533 2.568 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.401 4.387 2.263 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.334 6.564 0.300 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.325 5.789 -0.884 1.00 0.59 H new ATOM 0 HD12 LEU B 32 0.062 6.477 0.711 1.00 0.59 H new ATOM 0 HD13 LEU B 32 0.056 4.713 0.482 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.465 4.663 -1.270 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -2.196 3.539 0.084 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.670 4.534 0.033 1.00 0.57 H new ATOM 503 N GLY B 33 -3.420 5.885 5.052 1.00 0.38 N ATOM 504 CA GLY B 33 -4.116 5.315 6.192 1.00 0.39 C ATOM 505 C GLY B 33 -5.474 5.957 6.365 1.00 0.41 C ATOM 506 O GLY B 33 -6.464 5.284 6.652 1.00 0.42 O ATOM 0 H GLY B 33 -2.585 6.422 5.286 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.231 4.240 6.054 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.523 5.458 7.095 1.00 0.39 H new ATOM 510 N ALA B 34 -5.516 7.275 6.178 1.00 0.41 N ATOM 511 CA ALA B 34 -6.758 8.024 6.267 1.00 0.44 C ATOM 512 C ALA B 34 -7.669 7.623 5.123 1.00 0.44 C ATOM 513 O ALA B 34 -8.888 7.561 5.259 1.00 0.49 O ATOM 514 CB ALA B 34 -6.486 9.515 6.209 1.00 0.44 C ATOM 0 H ALA B 34 -4.697 7.844 5.963 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.240 7.798 7.218 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.428 10.060 6.277 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.841 9.800 7.040 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -5.993 9.759 5.268 1.00 0.44 H new ATOM 520 N SER B 35 -7.046 7.345 3.989 1.00 0.42 N ATOM 521 CA SER B 35 -7.757 6.931 2.798 1.00 0.42 C ATOM 522 C SER B 35 -8.365 5.543 3.008 1.00 0.41 C ATOM 523 O SER B 35 -9.445 5.241 2.502 1.00 0.40 O ATOM 524 CB SER B 35 -6.795 6.928 1.618 1.00 0.43 C ATOM 525 OG SER B 35 -6.145 8.185 1.505 1.00 0.48 O ATOM 0 H SER B 35 -6.034 7.401 3.872 1.00 0.42 H new ATOM 0 HA SER B 35 -8.569 7.628 2.591 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.054 6.139 1.747 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.338 6.708 0.699 1.00 0.43 H new ATOM 0 HG SER B 35 -5.436 8.248 2.178 1.00 0.48 H new ATOM 531 N ILE B 36 -7.666 4.718 3.788 1.00 0.45 N ATOM 532 CA ILE B 36 -8.104 3.360 4.093 1.00 0.47 C ATOM 533 C ILE B 36 -9.410 3.370 4.886 1.00 0.43 C ATOM 534 O ILE B 36 -10.317 2.584 4.611 1.00 0.43 O ATOM 535 CB ILE B 36 -6.996 2.574 4.856 1.00 0.57 C ATOM 536 CG1 ILE B 36 -6.467 1.424 3.996 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.482 2.028 6.196 1.00 0.55 C ATOM 538 CD1 ILE B 36 -5.795 1.866 2.711 1.00 1.03 C ATOM 0 H ILE B 36 -6.781 4.974 4.225 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.289 2.849 3.148 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.194 3.283 5.060 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -5.756 0.843 4.584 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -7.295 0.759 3.750 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.671 1.489 6.685 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -7.804 2.854 6.830 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -8.319 1.350 6.031 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -5.449 0.990 2.161 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -6.507 2.420 2.100 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -4.944 2.506 2.947 1.00 1.03 H new ATOM 550 N LYS B 37 -9.520 4.279 5.847 1.00 0.42 N ATOM 551 CA LYS B 37 -10.725 4.364 6.661 1.00 0.41 C ATOM 552 C LYS B 37 -11.821 5.121 5.915 1.00 0.43 C ATOM 553 O LYS B 37 -12.994 5.054 6.275 1.00 0.55 O ATOM 554 CB LYS B 37 -10.428 5.033 8.010 1.00 0.44 C ATOM 555 CG LYS B 37 -10.078 6.507 7.912 1.00 0.46 C ATOM 556 CD LYS B 37 -9.736 7.087 9.272 1.00 0.51 C ATOM 557 CE LYS B 37 -9.563 8.593 9.203 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.365 9.186 10.550 1.00 0.70 N ATOM 0 H LYS B 37 -8.798 4.961 6.080 1.00 0.42 H new ATOM 0 HA LYS B 37 -11.076 3.351 6.856 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.297 4.920 8.658 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.603 4.507 8.490 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.233 6.638 7.236 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -10.917 7.054 7.482 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.525 6.842 9.983 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -8.819 6.630 9.644 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.708 8.832 8.571 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.440 9.039 8.735 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.250 10.216 10.462 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.192 8.979 11.145 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.513 8.779 10.987 1.00 0.70 H new ATOM 572 N GLY B 38 -11.429 5.820 4.857 1.00 0.36 N ATOM 573 CA GLY B 38 -12.380 6.579 4.076 1.00 0.42 C ATOM 574 C GLY B 38 -13.061 5.737 3.019 1.00 0.44 C ATOM 575 O GLY B 38 -14.270 5.833 2.825 1.00 0.51 O ATOM 0 H GLY B 38 -10.465 5.873 4.527 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.133 7.004 4.739 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -11.869 7.414 3.597 1.00 0.42 H new ATOM 579 N PHE B 39 -12.287 4.898 2.348 1.00 0.44 N ATOM 580 CA PHE B 39 -12.831 4.046 1.301 1.00 0.52 C ATOM 581 C PHE B 39 -13.581 2.862 1.901 1.00 0.43 C ATOM 582 O PHE B 39 -14.622 2.453 1.385 1.00 0.48 O ATOM 583 CB PHE B 39 -11.710 3.587 0.348 1.00 0.70 C ATOM 584 CG PHE B 39 -11.115 2.235 0.638 1.00 0.74 C ATOM 585 CD1 PHE B 39 -11.727 1.080 0.185 1.00 0.74 C ATOM 586 CD2 PHE B 39 -9.935 2.127 1.346 1.00 1.21 C ATOM 587 CE1 PHE B 39 -11.175 -0.160 0.436 1.00 1.06 C ATOM 588 CE2 PHE B 39 -9.376 0.891 1.603 1.00 1.48 C ATOM 589 CZ PHE B 39 -9.999 -0.254 1.148 1.00 1.36 C ATOM 0 H PHE B 39 -11.286 4.789 2.508 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.549 4.622 0.718 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -12.104 3.579 -0.668 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.911 4.328 0.374 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -12.649 1.149 -0.373 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.443 3.020 1.703 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -11.663 -1.053 0.076 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -8.453 0.820 2.159 1.00 1.48 H new ATOM 0 HZ PHE B 39 -9.565 -1.222 1.350 1.00 1.36 H new ATOM 599 N LYS B 40 -13.072 2.330 3.006 1.00 0.41 N ATOM 600 CA LYS B 40 -13.710 1.194 3.657 1.00 0.44 C ATOM 601 C LYS B 40 -15.039 1.617 4.279 1.00 0.43 C ATOM 602 O LYS B 40 -15.891 0.783 4.577 1.00 0.50 O ATOM 603 CB LYS B 40 -12.792 0.590 4.723 1.00 0.52 C ATOM 604 CG LYS B 40 -13.109 -0.863 5.051 1.00 0.86 C ATOM 605 CD LYS B 40 -12.324 -1.826 4.173 1.00 0.97 C ATOM 606 CE LYS B 40 -12.718 -3.270 4.443 1.00 1.34 C ATOM 607 NZ LYS B 40 -11.819 -4.235 3.756 1.00 1.61 N ATOM 0 H LYS B 40 -12.226 2.664 3.467 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.903 0.432 2.902 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.759 0.659 4.382 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.868 1.184 5.634 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.879 -1.057 6.099 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -14.177 -1.040 4.920 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.500 -1.590 3.124 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -11.257 -1.698 4.354 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -12.696 -3.456 5.517 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -13.744 -3.433 4.112 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -12.125 -5.206 3.968 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -11.859 -4.076 2.729 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -10.843 -4.099 4.090 1.00 1.61 H new ATOM 621 N LYS B 41 -15.209 2.925 4.452 1.00 0.40 N ATOM 622 CA LYS B 41 -16.428 3.480 5.027 1.00 0.45 C ATOM 623 C LYS B 41 -17.586 3.359 4.034 1.00 0.41 C ATOM 624 O LYS B 41 -18.751 3.478 4.401 1.00 0.48 O ATOM 625 CB LYS B 41 -16.206 4.948 5.410 1.00 0.53 C ATOM 626 CG LYS B 41 -17.048 5.416 6.588 1.00 0.66 C ATOM 627 CD LYS B 41 -16.521 4.874 7.909 1.00 0.77 C ATOM 628 CE LYS B 41 -17.356 5.362 9.083 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.750 4.855 9.022 1.00 1.04 N ATOM 0 H LYS B 41 -14.511 3.624 4.199 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.682 2.917 5.925 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.153 5.095 5.649 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.428 5.575 4.547 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -17.056 6.506 6.619 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -18.080 5.094 6.448 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -16.527 3.784 7.885 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -15.485 5.184 8.044 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -16.893 5.040 10.016 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -17.367 6.452 9.092 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -19.401 5.649 8.857 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -18.836 4.169 8.245 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -18.990 4.391 9.921 1.00 1.04 H new ATOM 643 N ALA B 42 -17.254 3.120 2.771 1.00 0.32 N ATOM 644 CA ALA B 42 -18.265 2.964 1.736 1.00 0.29 C ATOM 645 C ALA B 42 -18.666 1.503 1.627 1.00 0.27 C ATOM 646 O ALA B 42 -19.642 1.161 0.967 1.00 0.41 O ATOM 647 CB ALA B 42 -17.752 3.480 0.396 1.00 0.31 C ATOM 0 H ALA B 42 -16.293 3.030 2.440 1.00 0.32 H new ATOM 0 HA ALA B 42 -19.140 3.553 2.009 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.524 3.353 -0.363 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.501 4.537 0.485 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.863 2.919 0.106 1.00 0.31 H new ATOM 653 N MET B 43 -17.915 0.647 2.307 1.00 0.37 N ATOM 654 CA MET B 43 -18.167 -0.782 2.279 1.00 0.43 C ATOM 655 C MET B 43 -18.415 -1.321 3.684 1.00 0.48 C ATOM 656 O MET B 43 -18.228 -2.508 3.941 1.00 0.72 O ATOM 657 CB MET B 43 -16.973 -1.506 1.654 1.00 0.54 C ATOM 658 CG MET B 43 -16.653 -1.053 0.239 1.00 0.75 C ATOM 659 SD MET B 43 -14.880 -1.055 -0.105 1.00 1.39 S ATOM 660 CE MET B 43 -14.444 -2.734 0.345 1.00 1.21 C ATOM 0 H MET B 43 -17.123 0.923 2.887 1.00 0.37 H new ATOM 0 HA MET B 43 -19.059 -0.960 1.679 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.096 -1.350 2.282 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.173 -2.577 1.646 1.00 0.54 H new ATOM 0 HG2 MET B 43 -17.158 -1.708 -0.471 1.00 0.75 H new ATOM 0 HG3 MET B 43 -17.048 -0.049 0.084 1.00 0.75 H new ATOM 0 HE1 MET B 43 -13.437 -2.955 -0.008 1.00 1.21 H new ATOM 0 HE2 MET B 43 -14.480 -2.841 1.429 1.00 1.21 H new ATOM 0 HE3 MET B 43 -15.150 -3.428 -0.112 1.00 1.21 H new ATOM 670 N SER B 44 -18.811 -0.448 4.603 1.00 0.56 N ATOM 671 CA SER B 44 -19.077 -0.865 5.971 1.00 0.66 C ATOM 672 C SER B 44 -20.580 -1.000 6.211 1.00 0.66 C ATOM 673 O SER B 44 -21.385 -0.371 5.525 1.00 0.99 O ATOM 674 CB SER B 44 -18.467 0.135 6.954 1.00 0.88 C ATOM 675 OG SER B 44 -18.769 1.466 6.582 1.00 1.35 O ATOM 0 H SER B 44 -18.954 0.546 4.426 1.00 0.56 H new ATOM 0 HA SER B 44 -18.617 -1.840 6.132 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.846 -0.060 7.957 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.386 0.001 6.990 1.00 0.88 H new ATOM 0 HG SER B 44 -19.105 1.955 7.362 1.00 1.35 H new ATOM 681 N ASP B 45 -20.953 -1.835 7.174 1.00 0.91 N ATOM 682 CA ASP B 45 -22.356 -2.049 7.506 1.00 1.13 C ATOM 683 C ASP B 45 -22.503 -2.262 9.007 1.00 1.69 C ATOM 684 O ASP B 45 -21.501 -2.344 9.723 1.00 2.33 O ATOM 685 CB ASP B 45 -22.912 -3.257 6.741 1.00 1.52 C ATOM 686 CG ASP B 45 -24.404 -3.151 6.473 1.00 2.08 C ATOM 687 OD1 ASP B 45 -25.089 -2.393 7.189 1.00 2.83 O ATOM 688 OD2 ASP B 45 -24.888 -3.825 5.541 1.00 2.25 O ATOM 0 H ASP B 45 -20.300 -2.377 7.740 1.00 0.91 H new ATOM 0 HA ASP B 45 -22.925 -1.167 7.213 1.00 1.13 H new ATOM 0 HB2 ASP B 45 -22.384 -3.355 5.793 1.00 1.52 H new ATOM 0 HB3 ASP B 45 -22.714 -4.165 7.311 1.00 1.52 H new ATOM 693 N ASP B 46 -23.749 -2.351 9.467 1.00 2.19 N ATOM 694 CA ASP B 46 -24.065 -2.551 10.887 1.00 3.07 C ATOM 695 C ASP B 46 -23.581 -1.368 11.721 1.00 3.60 C ATOM 696 O ASP B 46 -23.116 -1.524 12.851 1.00 4.02 O ATOM 697 CB ASP B 46 -23.459 -3.859 11.407 1.00 3.37 C ATOM 698 CG ASP B 46 -24.171 -4.388 12.638 1.00 4.32 C ATOM 699 OD1 ASP B 46 -25.417 -4.477 12.614 1.00 4.58 O ATOM 700 OD2 ASP B 46 -23.484 -4.735 13.623 1.00 5.06 O ATOM 0 H ASP B 46 -24.572 -2.287 8.868 1.00 2.19 H new ATOM 0 HA ASP B 46 -25.149 -2.619 10.982 1.00 3.07 H new ATOM 0 HB2 ASP B 46 -23.498 -4.611 10.619 1.00 3.37 H new ATOM 0 HB3 ASP B 46 -22.407 -3.698 11.642 1.00 3.37 H new ATOM 705 N GLU B 47 -23.707 -0.178 11.151 1.00 4.00 N ATOM 706 CA GLU B 47 -23.293 1.037 11.824 1.00 4.87 C ATOM 707 C GLU B 47 -24.515 1.808 12.294 1.00 5.68 C ATOM 708 O GLU B 47 -25.444 1.986 11.481 1.00 5.83 O ATOM 709 CB GLU B 47 -22.447 1.911 10.894 1.00 5.14 C ATOM 710 CG GLU B 47 -21.131 1.266 10.478 1.00 5.00 C ATOM 711 CD GLU B 47 -20.153 2.259 9.881 1.00 5.71 C ATOM 712 OE1 GLU B 47 -19.411 2.904 10.649 1.00 6.25 O ATOM 713 OE2 GLU B 47 -20.117 2.406 8.640 1.00 6.00 O ATOM 0 H GLU B 47 -24.095 -0.032 10.219 1.00 4.00 H new ATOM 0 HA GLU B 47 -22.685 0.765 12.687 1.00 4.87 H new ATOM 0 HB2 GLU B 47 -23.027 2.142 10.000 1.00 5.14 H new ATOM 0 HB3 GLU B 47 -22.236 2.858 11.391 1.00 5.14 H new ATOM 0 HG2 GLU B 47 -20.674 0.790 11.346 1.00 5.00 H new ATOM 0 HG3 GLU B 47 -21.331 0.479 9.751 1.00 5.00 H new TER 720 GLU B 47 ATOM 721 N MET A 1 1.409 -19.932 -9.330 1.00 8.05 N ATOM 722 CA MET A 1 0.203 -19.177 -8.923 1.00 7.44 C ATOM 723 C MET A 1 0.285 -18.840 -7.445 1.00 6.81 C ATOM 724 O MET A 1 1.181 -19.309 -6.747 1.00 7.05 O ATOM 725 CB MET A 1 -1.067 -19.991 -9.191 1.00 8.08 C ATOM 726 CG MET A 1 -1.277 -20.349 -10.653 1.00 8.69 C ATOM 727 SD MET A 1 -2.860 -21.161 -10.949 1.00 9.17 S ATOM 728 CE MET A 1 -2.774 -21.421 -12.718 1.00 10.04 C ATOM 0 H1 MET A 1 1.829 -19.488 -10.171 1.00 8.05 H new ATOM 0 H2 MET A 1 2.101 -19.926 -8.553 1.00 8.05 H new ATOM 0 H3 MET A 1 1.146 -20.913 -9.552 1.00 8.05 H new ATOM 0 HA MET A 1 0.158 -18.259 -9.509 1.00 7.44 H new ATOM 0 HB2 MET A 1 -1.028 -20.909 -8.605 1.00 8.08 H new ATOM 0 HB3 MET A 1 -1.930 -19.425 -8.839 1.00 8.08 H new ATOM 0 HG2 MET A 1 -1.219 -19.443 -11.257 1.00 8.69 H new ATOM 0 HG3 MET A 1 -0.470 -21.004 -10.982 1.00 8.69 H new ATOM 0 HE1 MET A 1 -3.684 -21.916 -13.058 1.00 10.04 H new ATOM 0 HE2 MET A 1 -2.674 -20.460 -13.223 1.00 10.04 H new ATOM 0 HE3 MET A 1 -1.912 -22.045 -12.953 1.00 10.04 H new ATOM 738 N GLY A 2 -0.644 -18.025 -6.966 1.00 6.32 N ATOM 739 CA GLY A 2 -0.639 -17.658 -5.567 1.00 6.04 C ATOM 740 C GLY A 2 -0.265 -16.210 -5.342 1.00 5.13 C ATOM 741 O GLY A 2 0.033 -15.814 -4.217 1.00 5.17 O ATOM 0 H GLY A 2 -1.397 -17.614 -7.518 1.00 6.32 H new ATOM 0 HA2 GLY A 2 -1.626 -17.843 -5.144 1.00 6.04 H new ATOM 0 HA3 GLY A 2 0.063 -18.297 -5.031 1.00 6.04 H new ATOM 745 N GLY A 3 -0.274 -15.422 -6.410 1.00 4.68 N ATOM 746 CA GLY A 3 0.063 -14.016 -6.294 1.00 4.10 C ATOM 747 C GLY A 3 1.520 -13.740 -6.607 1.00 3.67 C ATOM 748 O GLY A 3 2.210 -13.055 -5.846 1.00 4.03 O ATOM 0 H GLY A 3 -0.508 -15.731 -7.353 1.00 4.68 H new ATOM 0 HA2 GLY A 3 -0.566 -13.438 -6.971 1.00 4.10 H new ATOM 0 HA3 GLY A 3 -0.159 -13.675 -5.283 1.00 4.10 H new ATOM 752 N ILE A 4 1.985 -14.262 -7.737 1.00 3.09 N ATOM 753 CA ILE A 4 3.372 -14.077 -8.163 1.00 2.96 C ATOM 754 C ILE A 4 3.659 -12.610 -8.488 1.00 2.05 C ATOM 755 O ILE A 4 4.807 -12.167 -8.496 1.00 2.23 O ATOM 756 CB ILE A 4 3.689 -14.935 -9.409 1.00 3.47 C ATOM 757 CG1 ILE A 4 2.745 -14.568 -10.561 1.00 3.57 C ATOM 758 CG2 ILE A 4 3.568 -16.415 -9.078 1.00 4.39 C ATOM 759 CD1 ILE A 4 3.441 -14.428 -11.896 1.00 4.16 C ATOM 0 H ILE A 4 1.421 -14.819 -8.378 1.00 3.09 H new ATOM 0 HA ILE A 4 4.005 -14.393 -7.334 1.00 2.96 H new ATOM 0 HB ILE A 4 4.714 -14.732 -9.719 1.00 3.47 H new ATOM 0 HG12 ILE A 4 1.972 -15.332 -10.643 1.00 3.57 H new ATOM 0 HG13 ILE A 4 2.243 -13.630 -10.323 1.00 3.57 H new ATOM 0 HG21 ILE A 4 3.794 -17.006 -9.965 1.00 4.39 H new ATOM 0 HG22 ILE A 4 4.270 -16.669 -8.284 1.00 4.39 H new ATOM 0 HG23 ILE A 4 2.552 -16.632 -8.747 1.00 4.39 H new ATOM 0 HD11 ILE A 4 2.710 -14.168 -12.662 1.00 4.16 H new ATOM 0 HD12 ILE A 4 4.195 -13.644 -11.833 1.00 4.16 H new ATOM 0 HD13 ILE A 4 3.920 -15.372 -12.157 1.00 4.16 H new ATOM 771 N SER A 5 2.597 -11.865 -8.735 1.00 1.57 N ATOM 772 CA SER A 5 2.693 -10.459 -9.088 1.00 1.01 C ATOM 773 C SER A 5 2.911 -9.571 -7.864 1.00 0.90 C ATOM 774 O SER A 5 3.263 -8.405 -8.000 1.00 0.96 O ATOM 775 CB SER A 5 1.410 -10.049 -9.811 1.00 1.64 C ATOM 776 OG SER A 5 0.726 -11.192 -10.303 1.00 2.02 O ATOM 0 H SER A 5 1.641 -12.218 -8.697 1.00 1.57 H new ATOM 0 HA SER A 5 3.559 -10.325 -9.736 1.00 1.01 H new ATOM 0 HB2 SER A 5 0.763 -9.497 -9.130 1.00 1.64 H new ATOM 0 HB3 SER A 5 1.650 -9.379 -10.636 1.00 1.64 H new ATOM 0 HG SER A 5 0.068 -11.490 -9.640 1.00 2.02 H new ATOM 782 N ILE A 6 2.694 -10.114 -6.673 1.00 0.84 N ATOM 783 CA ILE A 6 2.873 -9.340 -5.450 1.00 0.75 C ATOM 784 C ILE A 6 4.296 -9.491 -4.909 1.00 0.65 C ATOM 785 O ILE A 6 4.946 -8.504 -4.560 1.00 0.61 O ATOM 786 CB ILE A 6 1.866 -9.763 -4.358 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.424 -9.671 -4.879 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.040 -8.907 -3.115 1.00 0.79 C ATOM 789 CD1 ILE A 6 0.005 -8.283 -5.322 1.00 0.96 C ATOM 0 H ILE A 6 2.396 -11.079 -6.527 1.00 0.84 H new ATOM 0 HA ILE A 6 2.693 -8.296 -5.707 1.00 0.75 H new ATOM 0 HB ILE A 6 2.065 -10.802 -4.094 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.310 -10.357 -5.718 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.255 -10.009 -4.096 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.323 -9.218 -2.356 1.00 0.79 H new ATOM 0 HG22 ILE A 6 3.052 -9.027 -2.729 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.870 -7.860 -3.367 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -1.026 -8.309 -5.675 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.083 -7.594 -4.481 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.656 -7.947 -6.129 1.00 0.96 H new ATOM 801 N TRP A 7 4.766 -10.734 -4.872 1.00 0.64 N ATOM 802 CA TRP A 7 6.099 -11.073 -4.361 1.00 0.60 C ATOM 803 C TRP A 7 7.210 -10.246 -5.022 1.00 0.56 C ATOM 804 O TRP A 7 7.865 -9.429 -4.372 1.00 0.54 O ATOM 805 CB TRP A 7 6.364 -12.560 -4.606 1.00 0.67 C ATOM 806 CG TRP A 7 6.974 -13.280 -3.437 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.393 -14.272 -2.704 1.00 0.75 C ATOM 808 CD2 TRP A 7 8.274 -13.070 -2.875 1.00 0.65 C ATOM 809 NE1 TRP A 7 7.261 -14.707 -1.732 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.420 -13.980 -1.810 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.336 -12.209 -3.164 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.577 -14.047 -1.040 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.482 -12.277 -2.399 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.595 -13.192 -1.345 1.00 0.92 C ATOM 0 H TRP A 7 4.234 -11.542 -5.196 1.00 0.64 H new ATOM 0 HA TRP A 7 6.112 -10.844 -3.295 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.424 -13.046 -4.867 1.00 0.67 H new ATOM 0 HB3 TRP A 7 7.026 -12.662 -5.466 1.00 0.67 H new ATOM 0 HD1 TRP A 7 5.397 -14.659 -2.864 1.00 0.75 H new ATOM 0 HE1 TRP A 7 7.073 -15.451 -1.060 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.261 -11.500 -3.975 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.666 -14.753 -0.227 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.306 -11.613 -2.617 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.504 -13.221 -0.763 1.00 0.92 H new ATOM 825 N GLN A 8 7.399 -10.459 -6.320 1.00 0.57 N ATOM 826 CA GLN A 8 8.443 -9.775 -7.086 1.00 0.59 C ATOM 827 C GLN A 8 8.254 -8.258 -7.088 1.00 0.58 C ATOM 828 O GLN A 8 9.227 -7.505 -7.140 1.00 0.59 O ATOM 829 CB GLN A 8 8.468 -10.305 -8.526 1.00 0.68 C ATOM 830 CG GLN A 8 9.268 -11.590 -8.700 1.00 0.79 C ATOM 831 CD GLN A 8 8.744 -12.734 -7.853 1.00 1.06 C ATOM 832 OE1 GLN A 8 9.231 -12.980 -6.753 1.00 1.49 O ATOM 833 NE2 GLN A 8 7.733 -13.425 -8.351 1.00 1.50 N ATOM 0 H GLN A 8 6.837 -11.107 -6.872 1.00 0.57 H new ATOM 0 HA GLN A 8 9.397 -9.984 -6.602 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.444 -10.479 -8.856 1.00 0.68 H new ATOM 0 HB3 GLN A 8 8.886 -9.538 -9.177 1.00 0.68 H new ATOM 0 HG2 GLN A 8 9.249 -11.884 -9.749 1.00 0.79 H new ATOM 0 HG3 GLN A 8 10.310 -11.401 -8.441 1.00 0.79 H new ATOM 0 HE21 GLN A 8 7.357 -13.189 -9.269 1.00 1.50 H new ATOM 0 HE22 GLN A 8 7.329 -14.194 -7.817 1.00 1.50 H new ATOM 842 N LEU A 9 7.005 -7.816 -7.010 1.00 0.60 N ATOM 843 CA LEU A 9 6.699 -6.388 -7.013 1.00 0.65 C ATOM 844 C LEU A 9 7.176 -5.717 -5.732 1.00 0.58 C ATOM 845 O LEU A 9 7.630 -4.575 -5.760 1.00 0.59 O ATOM 846 CB LEU A 9 5.196 -6.162 -7.196 1.00 0.74 C ATOM 847 CG LEU A 9 4.748 -5.777 -8.613 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.939 -4.286 -8.849 1.00 0.95 C ATOM 849 CD2 LEU A 9 5.508 -6.583 -9.659 1.00 1.02 C ATOM 0 H LEU A 9 6.188 -8.423 -6.944 1.00 0.60 H new ATOM 0 HA LEU A 9 7.230 -5.937 -7.851 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.672 -7.072 -6.904 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.879 -5.377 -6.509 1.00 0.74 H new ATOM 0 HG LEU A 9 3.687 -6.009 -8.707 1.00 0.94 H new ATOM 0 HD11 LEU A 9 4.616 -4.033 -9.859 1.00 0.95 H new ATOM 0 HD12 LEU A 9 4.346 -3.724 -8.127 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.992 -4.031 -8.731 1.00 0.95 H new ATOM 0 HD21 LEU A 9 5.174 -6.293 -10.655 1.00 1.02 H new ATOM 0 HD22 LEU A 9 6.576 -6.388 -9.563 1.00 1.02 H new ATOM 0 HD23 LEU A 9 5.319 -7.646 -9.508 1.00 1.02 H new ATOM 861 N LEU A 10 7.091 -6.432 -4.615 1.00 0.52 N ATOM 862 CA LEU A 10 7.520 -5.887 -3.334 1.00 0.46 C ATOM 863 C LEU A 10 9.019 -5.627 -3.338 1.00 0.41 C ATOM 864 O LEU A 10 9.468 -4.592 -2.859 1.00 0.38 O ATOM 865 CB LEU A 10 7.166 -6.834 -2.189 1.00 0.45 C ATOM 866 CG LEU A 10 6.448 -6.191 -0.995 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.828 -6.905 0.288 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.770 -4.706 -0.881 1.00 0.43 C ATOM 0 H LEU A 10 6.731 -7.385 -4.571 1.00 0.52 H new ATOM 0 HA LEU A 10 6.994 -4.944 -3.182 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.536 -7.632 -2.583 1.00 0.45 H new ATOM 0 HB3 LEU A 10 8.083 -7.300 -1.830 1.00 0.45 H new ATOM 0 HG LEU A 10 5.375 -6.289 -1.160 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.313 -6.441 1.129 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.539 -7.954 0.220 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.905 -6.834 0.438 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.244 -4.284 -0.024 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.844 -4.576 -0.747 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.453 -4.194 -1.790 1.00 0.43 H new ATOM 880 N ILE A 11 9.782 -6.569 -3.890 1.00 0.41 N ATOM 881 CA ILE A 11 11.234 -6.437 -3.961 1.00 0.39 C ATOM 882 C ILE A 11 11.623 -5.116 -4.616 1.00 0.40 C ATOM 883 O ILE A 11 12.395 -4.339 -4.059 1.00 0.38 O ATOM 884 CB ILE A 11 11.872 -7.590 -4.760 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.483 -8.944 -4.164 1.00 0.48 C ATOM 886 CG2 ILE A 11 13.387 -7.435 -4.802 1.00 0.64 C ATOM 887 CD1 ILE A 11 11.878 -10.120 -5.033 1.00 0.99 C ATOM 0 H ILE A 11 9.418 -7.432 -4.294 1.00 0.41 H new ATOM 0 HA ILE A 11 11.605 -6.469 -2.937 1.00 0.39 H new ATOM 0 HB ILE A 11 11.494 -7.549 -5.781 1.00 0.44 H new ATOM 0 HG12 ILE A 11 11.953 -9.051 -3.186 1.00 0.48 H new ATOM 0 HG13 ILE A 11 10.405 -8.966 -4.004 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.821 -8.258 -5.370 1.00 0.64 H new ATOM 0 HG22 ILE A 11 13.643 -6.489 -5.280 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.782 -7.447 -3.786 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.572 -11.048 -4.550 1.00 0.99 H new ATOM 0 HD12 ILE A 11 11.388 -10.037 -6.003 1.00 0.99 H new ATOM 0 HD13 ILE A 11 12.959 -10.123 -5.172 1.00 0.99 H new ATOM 899 N ILE A 12 11.060 -4.862 -5.790 1.00 0.45 N ATOM 900 CA ILE A 12 11.347 -3.642 -6.529 1.00 0.46 C ATOM 901 C ILE A 12 10.853 -2.418 -5.757 1.00 0.44 C ATOM 902 O ILE A 12 11.537 -1.394 -5.705 1.00 0.44 O ATOM 903 CB ILE A 12 10.721 -3.667 -7.942 1.00 0.53 C ATOM 904 CG1 ILE A 12 11.005 -5.015 -8.617 1.00 0.54 C ATOM 905 CG2 ILE A 12 11.271 -2.528 -8.789 1.00 0.58 C ATOM 906 CD1 ILE A 12 10.288 -5.205 -9.939 1.00 0.61 C ATOM 0 H ILE A 12 10.400 -5.488 -6.251 1.00 0.45 H new ATOM 0 HA ILE A 12 12.429 -3.579 -6.644 1.00 0.46 H new ATOM 0 HB ILE A 12 9.643 -3.537 -7.849 1.00 0.53 H new ATOM 0 HG12 ILE A 12 12.079 -5.109 -8.781 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.715 -5.818 -7.939 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.819 -2.561 -9.780 1.00 0.58 H new ATOM 0 HG22 ILE A 12 11.036 -1.575 -8.315 1.00 0.58 H new ATOM 0 HG23 ILE A 12 12.352 -2.631 -8.879 1.00 0.58 H new ATOM 0 HD11 ILE A 12 10.540 -6.181 -10.353 1.00 0.61 H new ATOM 0 HD12 ILE A 12 9.211 -5.145 -9.781 1.00 0.61 H new ATOM 0 HD13 ILE A 12 10.596 -4.425 -10.635 1.00 0.61 H new ATOM 918 N ALA A 13 9.669 -2.537 -5.149 1.00 0.44 N ATOM 919 CA ALA A 13 9.089 -1.448 -4.354 1.00 0.45 C ATOM 920 C ALA A 13 10.042 -1.038 -3.248 1.00 0.39 C ATOM 921 O ALA A 13 10.355 0.138 -3.059 1.00 0.41 O ATOM 922 CB ALA A 13 7.773 -1.889 -3.719 1.00 0.49 C ATOM 0 H ALA A 13 9.092 -3.377 -5.192 1.00 0.44 H new ATOM 0 HA ALA A 13 8.910 -0.606 -5.023 1.00 0.45 H new ATOM 0 HB1 ALA A 13 7.358 -1.068 -3.134 1.00 0.49 H new ATOM 0 HB2 ALA A 13 7.068 -2.169 -4.501 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.952 -2.745 -3.068 1.00 0.49 H new ATOM 928 N VAL A 14 10.503 -2.053 -2.544 1.00 0.34 N ATOM 929 CA VAL A 14 11.400 -1.909 -1.418 1.00 0.29 C ATOM 930 C VAL A 14 12.704 -1.204 -1.797 1.00 0.29 C ATOM 931 O VAL A 14 13.232 -0.407 -1.019 1.00 0.31 O ATOM 932 CB VAL A 14 11.661 -3.311 -0.819 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.893 -3.347 0.069 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.427 -3.769 -0.053 1.00 0.27 C ATOM 0 H VAL A 14 10.258 -3.022 -2.745 1.00 0.34 H new ATOM 0 HA VAL A 14 10.930 -1.270 -0.670 1.00 0.29 H new ATOM 0 HB VAL A 14 11.859 -3.996 -1.643 1.00 0.26 H new ATOM 0 HG11 VAL A 14 13.029 -4.354 0.462 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.770 -3.064 -0.513 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.766 -2.649 0.896 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.608 -4.757 0.371 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.215 -3.063 0.750 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.574 -3.815 -0.731 1.00 0.27 H new ATOM 944 N ILE A 15 13.208 -1.467 -2.994 1.00 0.30 N ATOM 945 CA ILE A 15 14.446 -0.839 -3.439 1.00 0.32 C ATOM 946 C ILE A 15 14.206 0.604 -3.893 1.00 0.33 C ATOM 947 O ILE A 15 15.042 1.482 -3.676 1.00 0.34 O ATOM 948 CB ILE A 15 15.108 -1.635 -4.585 1.00 0.37 C ATOM 949 CG1 ILE A 15 15.225 -3.116 -4.211 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.483 -1.061 -4.895 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.609 -4.013 -5.370 1.00 0.42 C ATOM 0 H ILE A 15 12.785 -2.104 -3.669 1.00 0.30 H new ATOM 0 HA ILE A 15 15.120 -0.834 -2.583 1.00 0.32 H new ATOM 0 HB ILE A 15 14.482 -1.551 -5.473 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.967 -3.223 -3.420 1.00 0.36 H new ATOM 0 HG13 ILE A 15 14.273 -3.454 -3.803 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.941 -1.630 -5.704 1.00 0.41 H new ATOM 0 HG22 ILE A 15 16.383 -0.018 -5.196 1.00 0.41 H new ATOM 0 HG23 ILE A 15 17.112 -1.123 -4.007 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.672 -5.045 -5.026 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.856 -3.937 -6.154 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.576 -3.703 -5.765 1.00 0.42 H new ATOM 963 N VAL A 16 13.048 0.845 -4.496 1.00 0.35 N ATOM 964 CA VAL A 16 12.685 2.171 -4.999 1.00 0.38 C ATOM 965 C VAL A 16 12.727 3.234 -3.893 1.00 0.36 C ATOM 966 O VAL A 16 13.084 4.392 -4.139 1.00 0.38 O ATOM 967 CB VAL A 16 11.274 2.130 -5.651 1.00 0.44 C ATOM 968 CG1 VAL A 16 10.471 3.393 -5.365 1.00 0.51 C ATOM 969 CG2 VAL A 16 11.388 1.907 -7.152 1.00 0.47 C ATOM 0 H VAL A 16 12.335 0.133 -4.651 1.00 0.35 H new ATOM 0 HA VAL A 16 13.422 2.450 -5.751 1.00 0.38 H new ATOM 0 HB VAL A 16 10.737 1.294 -5.203 1.00 0.44 H new ATOM 0 HG11 VAL A 16 9.493 3.318 -5.841 1.00 0.51 H new ATOM 0 HG12 VAL A 16 10.343 3.507 -4.289 1.00 0.51 H new ATOM 0 HG13 VAL A 16 11.002 4.259 -5.761 1.00 0.51 H new ATOM 0 HG21 VAL A 16 10.391 1.881 -7.593 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.961 2.720 -7.598 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.894 0.960 -7.342 1.00 0.47 H new ATOM 979 N VAL A 17 12.400 2.825 -2.675 1.00 0.33 N ATOM 980 CA VAL A 17 12.368 3.738 -1.544 1.00 0.33 C ATOM 981 C VAL A 17 13.729 4.372 -1.254 1.00 0.33 C ATOM 982 O VAL A 17 13.811 5.576 -1.009 1.00 0.37 O ATOM 983 CB VAL A 17 11.820 3.062 -0.280 1.00 0.33 C ATOM 984 CG1 VAL A 17 11.260 4.100 0.675 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.757 2.030 -0.623 1.00 0.35 C ATOM 0 H VAL A 17 12.152 1.862 -2.446 1.00 0.33 H new ATOM 0 HA VAL A 17 11.688 4.539 -1.833 1.00 0.33 H new ATOM 0 HB VAL A 17 12.646 2.544 0.208 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.875 3.604 1.566 1.00 0.36 H new ATOM 0 HG12 VAL A 17 12.049 4.796 0.959 1.00 0.36 H new ATOM 0 HG13 VAL A 17 10.453 4.646 0.187 1.00 0.36 H new ATOM 0 HG21 VAL A 17 10.389 1.569 0.293 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.931 2.517 -1.142 1.00 0.35 H new ATOM 0 HG23 VAL A 17 11.188 1.264 -1.267 1.00 0.35 H new ATOM 995 N LEU A 18 14.798 3.589 -1.308 1.00 0.31 N ATOM 996 CA LEU A 18 16.129 4.131 -1.035 1.00 0.34 C ATOM 997 C LEU A 18 16.701 4.813 -2.268 1.00 0.36 C ATOM 998 O LEU A 18 17.618 5.623 -2.169 1.00 0.40 O ATOM 999 CB LEU A 18 17.101 3.052 -0.546 1.00 0.34 C ATOM 1000 CG LEU A 18 17.094 1.743 -1.333 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.510 1.238 -1.503 1.00 0.39 C ATOM 1002 CD2 LEU A 18 16.253 0.692 -0.630 1.00 0.30 C ATOM 0 H LEU A 18 14.776 2.594 -1.534 1.00 0.31 H new ATOM 0 HA LEU A 18 16.011 4.866 -0.239 1.00 0.34 H new ATOM 0 HB2 LEU A 18 18.111 3.462 -0.569 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.871 2.829 0.496 1.00 0.34 H new ATOM 0 HG LEU A 18 16.656 1.934 -2.313 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.498 0.304 -2.065 1.00 0.39 H new ATOM 0 HD12 LEU A 18 19.098 1.979 -2.044 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.955 1.066 -0.523 1.00 0.39 H new ATOM 0 HD21 LEU A 18 16.264 -0.231 -1.210 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.663 0.502 0.362 1.00 0.30 H new ATOM 0 HD23 LEU A 18 15.228 1.049 -0.536 1.00 0.30 H new ATOM 1014 N LEU A 19 16.144 4.493 -3.426 1.00 0.36 N ATOM 1015 CA LEU A 19 16.610 5.068 -4.681 1.00 0.40 C ATOM 1016 C LEU A 19 16.337 6.560 -4.753 1.00 0.41 C ATOM 1017 O LEU A 19 17.180 7.336 -5.202 1.00 0.45 O ATOM 1018 CB LEU A 19 15.945 4.370 -5.866 1.00 0.41 C ATOM 1019 CG LEU A 19 16.370 2.921 -6.088 1.00 0.44 C ATOM 1020 CD1 LEU A 19 16.081 2.500 -7.519 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.843 2.731 -5.751 1.00 0.47 C ATOM 0 H LEU A 19 15.368 3.838 -3.524 1.00 0.36 H new ATOM 0 HA LEU A 19 17.689 4.917 -4.725 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.865 4.397 -5.724 1.00 0.41 H new ATOM 0 HB3 LEU A 19 16.162 4.938 -6.770 1.00 0.41 H new ATOM 0 HG LEU A 19 15.790 2.284 -5.419 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.389 1.464 -7.663 1.00 0.47 H new ATOM 0 HD12 LEU A 19 15.013 2.592 -7.717 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.633 3.142 -8.206 1.00 0.47 H new ATOM 0 HD21 LEU A 19 18.123 1.691 -5.917 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.448 3.376 -6.388 1.00 0.47 H new ATOM 0 HD23 LEU A 19 18.014 2.990 -4.706 1.00 0.47 H new ATOM 1033 N PHE A 20 15.164 6.964 -4.302 1.00 0.40 N ATOM 1034 CA PHE A 20 14.792 8.367 -4.349 1.00 0.44 C ATOM 1035 C PHE A 20 14.828 8.984 -2.964 1.00 0.47 C ATOM 1036 O PHE A 20 14.296 10.069 -2.750 1.00 0.51 O ATOM 1037 CB PHE A 20 13.402 8.525 -4.968 1.00 0.45 C ATOM 1038 CG PHE A 20 13.215 7.710 -6.220 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.945 7.992 -7.365 1.00 1.07 C ATOM 1040 CD2 PHE A 20 12.324 6.650 -6.246 1.00 1.06 C ATOM 1041 CE1 PHE A 20 13.788 7.233 -8.509 1.00 1.05 C ATOM 1042 CE2 PHE A 20 12.166 5.887 -7.387 1.00 1.12 C ATOM 1043 CZ PHE A 20 12.896 6.179 -8.520 1.00 0.53 C ATOM 0 H PHE A 20 14.457 6.347 -3.902 1.00 0.40 H new ATOM 0 HA PHE A 20 15.516 8.892 -4.972 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.650 8.232 -4.236 1.00 0.45 H new ATOM 0 HB3 PHE A 20 13.231 9.577 -5.198 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.645 8.815 -7.362 1.00 1.07 H new ATOM 0 HD2 PHE A 20 11.746 6.417 -5.364 1.00 1.06 H new ATOM 0 HE1 PHE A 20 14.363 7.464 -9.394 1.00 1.05 H new ATOM 0 HE2 PHE A 20 11.470 5.061 -7.392 1.00 1.12 H new ATOM 0 HZ PHE A 20 12.770 5.585 -9.413 1.00 0.53 H new ATOM 1053 N GLY A 21 15.463 8.283 -2.029 1.00 0.49 N ATOM 1054 CA GLY A 21 15.574 8.771 -0.668 1.00 0.55 C ATOM 1055 C GLY A 21 14.232 9.114 -0.055 1.00 0.56 C ATOM 1056 O GLY A 21 14.070 10.174 0.550 1.00 0.65 O ATOM 0 H GLY A 21 15.905 7.379 -2.193 1.00 0.49 H new ATOM 0 HA2 GLY A 21 16.066 8.015 -0.055 1.00 0.55 H new ATOM 0 HA3 GLY A 21 16.211 9.656 -0.655 1.00 0.55 H new ATOM 1060 N THR A 22 13.271 8.206 -0.234 1.00 0.54 N ATOM 1061 CA THR A 22 11.902 8.343 0.275 1.00 0.61 C ATOM 1062 C THR A 22 11.195 9.621 -0.221 1.00 0.71 C ATOM 1063 O THR A 22 10.128 9.976 0.281 1.00 1.26 O ATOM 1064 CB THR A 22 11.837 8.303 1.828 1.00 0.71 C ATOM 1065 OG1 THR A 22 12.501 9.431 2.403 1.00 1.46 O ATOM 1066 CG2 THR A 22 12.455 7.030 2.387 1.00 0.60 C ATOM 0 H THR A 22 13.424 7.337 -0.747 1.00 0.54 H new ATOM 0 HA THR A 22 11.374 7.478 -0.127 1.00 0.61 H new ATOM 0 HB THR A 22 10.780 8.328 2.093 1.00 0.71 H new ATOM 0 HG1 THR A 22 12.859 9.999 1.689 1.00 1.46 H new ATOM 0 HG21 THR A 22 12.390 7.041 3.475 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.918 6.164 2.000 1.00 0.60 H new ATOM 0 HG23 THR A 22 13.501 6.971 2.087 1.00 0.60 H new ATOM 1074 N LYS A 23 11.747 10.280 -1.233 1.00 0.38 N ATOM 1075 CA LYS A 23 11.158 11.523 -1.746 1.00 0.45 C ATOM 1076 C LYS A 23 10.175 11.279 -2.881 1.00 0.47 C ATOM 1077 O LYS A 23 9.821 12.203 -3.613 1.00 0.81 O ATOM 1078 CB LYS A 23 12.248 12.477 -2.227 1.00 0.49 C ATOM 1079 CG LYS A 23 13.019 13.138 -1.101 1.00 0.56 C ATOM 1080 CD LYS A 23 14.229 13.891 -1.627 1.00 0.77 C ATOM 1081 CE LYS A 23 13.830 14.953 -2.638 1.00 0.99 C ATOM 1082 NZ LYS A 23 15.014 15.640 -3.213 1.00 1.33 N ATOM 0 H LYS A 23 12.595 9.982 -1.715 1.00 0.38 H new ATOM 0 HA LYS A 23 10.611 11.969 -0.915 1.00 0.45 H new ATOM 0 HB2 LYS A 23 12.945 11.928 -2.860 1.00 0.49 H new ATOM 0 HB3 LYS A 23 11.794 13.250 -2.848 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.365 13.826 -0.565 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.342 12.382 -0.386 1.00 0.56 H new ATOM 0 HD2 LYS A 23 14.757 14.359 -0.796 1.00 0.77 H new ATOM 0 HD3 LYS A 23 14.922 13.189 -2.090 1.00 0.77 H new ATOM 0 HE2 LYS A 23 13.252 14.493 -3.439 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.182 15.686 -2.158 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 14.701 16.357 -3.898 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.552 16.101 -2.451 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 15.620 14.944 -3.693 1.00 1.33 H new ATOM 1096 N LYS A 24 9.722 10.053 -3.024 1.00 0.42 N ATOM 1097 CA LYS A 24 8.791 9.721 -4.083 1.00 0.45 C ATOM 1098 C LYS A 24 7.703 8.778 -3.593 1.00 0.47 C ATOM 1099 O LYS A 24 6.978 8.198 -4.394 1.00 0.77 O ATOM 1100 CB LYS A 24 9.547 9.102 -5.265 1.00 0.50 C ATOM 1101 CG LYS A 24 10.227 10.133 -6.157 1.00 0.58 C ATOM 1102 CD LYS A 24 9.405 10.441 -7.398 1.00 0.73 C ATOM 1103 CE LYS A 24 9.552 9.341 -8.437 1.00 1.14 C ATOM 1104 NZ LYS A 24 9.020 9.756 -9.762 1.00 1.36 N ATOM 0 H LYS A 24 9.981 9.271 -2.423 1.00 0.42 H new ATOM 0 HA LYS A 24 8.305 10.640 -4.410 1.00 0.45 H new ATOM 0 HB2 LYS A 24 10.299 8.411 -4.884 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.851 8.516 -5.865 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.389 11.051 -5.592 1.00 0.58 H new ATOM 0 HG3 LYS A 24 11.209 9.764 -6.454 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.355 10.550 -7.125 1.00 0.73 H new ATOM 0 HD3 LYS A 24 9.725 11.392 -7.823 1.00 0.73 H new ATOM 0 HE2 LYS A 24 10.604 9.073 -8.536 1.00 1.14 H new ATOM 0 HE3 LYS A 24 9.026 8.448 -8.098 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 9.139 8.979 -10.443 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 8.010 9.988 -9.674 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 9.539 10.592 -10.098 1.00 1.36 H new ATOM 1118 N LEU A 25 7.594 8.609 -2.280 1.00 0.40 N ATOM 1119 CA LEU A 25 6.570 7.721 -1.740 1.00 0.41 C ATOM 1120 C LEU A 25 5.439 8.480 -1.052 1.00 0.36 C ATOM 1121 O LEU A 25 4.284 8.072 -1.128 1.00 0.42 O ATOM 1122 CB LEU A 25 7.168 6.695 -0.768 1.00 0.50 C ATOM 1123 CG LEU A 25 7.914 5.535 -1.426 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.383 5.878 -1.548 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.733 4.248 -0.634 1.00 0.43 C ATOM 0 H LEU A 25 8.186 9.062 -1.584 1.00 0.40 H new ATOM 0 HA LEU A 25 6.149 7.196 -2.597 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.853 7.211 -0.095 1.00 0.50 H new ATOM 0 HB3 LEU A 25 6.364 6.288 -0.154 1.00 0.50 H new ATOM 0 HG LEU A 25 7.498 5.375 -2.421 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.912 5.049 -2.018 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.498 6.774 -2.158 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.798 6.058 -0.556 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.274 3.439 -1.125 1.00 0.43 H new ATOM 0 HD22 LEU A 25 8.121 4.384 0.375 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.673 3.997 -0.584 1.00 0.43 H new ATOM 1137 N GLY A 26 5.766 9.582 -0.395 1.00 0.39 N ATOM 1138 CA GLY A 26 4.760 10.330 0.334 1.00 0.48 C ATOM 1139 C GLY A 26 3.777 11.075 -0.533 1.00 0.46 C ATOM 1140 O GLY A 26 2.568 10.895 -0.397 1.00 0.69 O ATOM 0 H GLY A 26 6.707 9.972 -0.353 1.00 0.39 H new ATOM 0 HA2 GLY A 26 4.209 9.642 0.975 1.00 0.48 H new ATOM 0 HA3 GLY A 26 5.261 11.044 0.988 1.00 0.48 H new ATOM 1144 N SER A 27 4.276 11.906 -1.429 1.00 0.37 N ATOM 1145 CA SER A 27 3.403 12.701 -2.270 1.00 0.40 C ATOM 1146 C SER A 27 2.554 11.846 -3.216 1.00 0.41 C ATOM 1147 O SER A 27 1.328 11.956 -3.219 1.00 0.45 O ATOM 1148 CB SER A 27 4.212 13.713 -3.073 1.00 0.49 C ATOM 1149 OG SER A 27 5.373 14.116 -2.369 1.00 0.78 O ATOM 0 H SER A 27 5.273 12.047 -1.592 1.00 0.37 H new ATOM 0 HA SER A 27 2.718 13.225 -1.603 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.497 13.277 -4.030 1.00 0.49 H new ATOM 0 HB3 SER A 27 3.595 14.585 -3.291 1.00 0.49 H new ATOM 0 HG SER A 27 5.874 14.764 -2.908 1.00 0.78 H new ATOM 1155 N ILE A 28 3.198 10.981 -4.005 1.00 0.44 N ATOM 1156 CA ILE A 28 2.465 10.139 -4.957 1.00 0.52 C ATOM 1157 C ILE A 28 1.525 9.197 -4.214 1.00 0.51 C ATOM 1158 O ILE A 28 0.464 8.829 -4.721 1.00 0.55 O ATOM 1159 CB ILE A 28 3.403 9.335 -5.901 1.00 0.65 C ATOM 1160 CG1 ILE A 28 3.781 7.974 -5.298 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.655 10.143 -6.208 1.00 0.85 C ATOM 1162 CD1 ILE A 28 4.372 6.996 -6.298 1.00 1.52 C ATOM 0 H ILE A 28 4.209 10.846 -4.005 1.00 0.44 H new ATOM 0 HA ILE A 28 1.884 10.810 -5.590 1.00 0.52 H new ATOM 0 HB ILE A 28 2.862 9.147 -6.828 1.00 0.65 H new ATOM 0 HG12 ILE A 28 4.499 8.132 -4.493 1.00 1.36 H new ATOM 0 HG13 ILE A 28 2.893 7.528 -4.851 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.305 9.570 -6.870 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.375 11.077 -6.694 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.184 10.361 -5.280 1.00 0.85 H new ATOM 0 HD11 ILE A 28 4.612 6.060 -5.793 1.00 1.52 H new ATOM 0 HD12 ILE A 28 3.649 6.806 -7.091 1.00 1.52 H new ATOM 0 HD13 ILE A 28 5.280 7.419 -6.728 1.00 1.52 H new ATOM 1174 N GLY A 29 1.917 8.829 -3.002 1.00 0.50 N ATOM 1175 CA GLY A 29 1.099 7.959 -2.193 1.00 0.52 C ATOM 1176 C GLY A 29 -0.155 8.663 -1.721 1.00 0.46 C ATOM 1177 O GLY A 29 -1.228 8.076 -1.697 1.00 0.51 O ATOM 0 H GLY A 29 2.792 9.121 -2.566 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.827 7.074 -2.768 1.00 0.52 H new ATOM 0 HA3 GLY A 29 1.672 7.616 -1.331 1.00 0.52 H new ATOM 1181 N SER A 30 -0.015 9.933 -1.371 1.00 0.41 N ATOM 1182 CA SER A 30 -1.139 10.723 -0.899 1.00 0.41 C ATOM 1183 C SER A 30 -2.141 10.952 -2.030 1.00 0.39 C ATOM 1184 O SER A 30 -3.342 10.743 -1.855 1.00 0.42 O ATOM 1185 CB SER A 30 -0.640 12.053 -0.337 1.00 0.43 C ATOM 1186 OG SER A 30 -1.716 12.871 0.087 1.00 0.95 O ATOM 0 H SER A 30 0.870 10.439 -1.406 1.00 0.41 H new ATOM 0 HA SER A 30 -1.647 10.179 -0.103 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.030 11.867 0.502 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.061 12.577 -1.097 1.00 0.43 H new ATOM 0 HG SER A 30 -1.615 13.076 1.040 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.637 11.369 -3.191 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.483 11.614 -4.359 1.00 0.42 C ATOM 1194 C ASP A 31 -3.256 10.357 -4.745 1.00 0.41 C ATOM 1195 O ASP A 31 -4.473 10.397 -4.950 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.629 12.075 -5.540 1.00 0.47 C ATOM 1197 CG ASP A 31 -1.263 13.543 -5.460 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.172 14.392 -5.563 1.00 1.29 O ATOM 1199 OD2 ASP A 31 -0.062 13.848 -5.303 1.00 1.28 O ATOM 0 H ASP A 31 -0.645 11.545 -3.348 1.00 0.38 H new ATOM 0 HA ASP A 31 -3.197 12.396 -4.101 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.717 11.479 -5.578 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -2.170 11.890 -6.468 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.550 9.237 -4.837 1.00 0.39 N ATOM 1205 CA LEU A 32 -3.172 7.969 -5.197 1.00 0.41 C ATOM 1206 C LEU A 32 -4.058 7.460 -4.067 1.00 0.38 C ATOM 1207 O LEU A 32 -5.126 6.904 -4.313 1.00 0.40 O ATOM 1208 CB LEU A 32 -2.105 6.926 -5.552 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.431 7.137 -6.910 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.134 6.355 -6.996 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -2.369 6.731 -8.039 1.00 1.28 C ATOM 0 H LEU A 32 -1.546 9.181 -4.667 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.798 8.136 -6.074 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.339 6.932 -4.777 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.564 5.938 -5.539 1.00 0.44 H new ATOM 0 HG LEU A 32 -1.199 8.197 -7.013 1.00 0.64 H new ATOM 0 HD11 LEU A 32 0.327 6.521 -7.970 1.00 1.09 H new ATOM 0 HD12 LEU A 32 0.545 6.689 -6.212 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.341 5.292 -6.868 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.874 6.887 -8.997 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -2.631 5.678 -7.934 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -3.274 7.336 -7.995 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.619 7.667 -2.835 1.00 0.37 N ATOM 1224 CA GLY A 33 -4.380 7.226 -1.685 1.00 0.38 C ATOM 1225 C GLY A 33 -5.711 7.936 -1.579 1.00 0.35 C ATOM 1226 O GLY A 33 -6.748 7.307 -1.380 1.00 0.37 O ATOM 0 H GLY A 33 -2.742 8.137 -2.610 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.547 6.151 -1.752 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.802 7.403 -0.778 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.692 9.248 -1.739 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.910 10.032 -1.657 1.00 0.37 C ATOM 1232 C ALA A 34 -7.835 9.704 -2.822 1.00 0.37 C ATOM 1233 O ALA A 34 -9.045 9.901 -2.746 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.574 11.509 -1.597 1.00 0.41 C ATOM 0 H ALA A 34 -4.849 9.791 -1.926 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.442 9.776 -0.741 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.495 12.089 -1.536 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.961 11.707 -0.718 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -6.025 11.794 -2.494 1.00 0.41 H new ATOM 1240 N SER A 35 -7.254 9.193 -3.900 1.00 0.33 N ATOM 1241 CA SER A 35 -8.030 8.784 -5.055 1.00 0.35 C ATOM 1242 C SER A 35 -8.570 7.374 -4.812 1.00 0.34 C ATOM 1243 O SER A 35 -9.603 6.981 -5.355 1.00 0.38 O ATOM 1244 CB SER A 35 -7.173 8.828 -6.324 1.00 0.38 C ATOM 1245 OG SER A 35 -6.652 10.131 -6.537 1.00 0.41 O ATOM 0 H SER A 35 -6.248 9.053 -3.995 1.00 0.33 H new ATOM 0 HA SER A 35 -8.864 9.471 -5.198 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.354 8.114 -6.240 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.772 8.526 -7.183 1.00 0.38 H new ATOM 0 HG SER A 35 -5.941 10.310 -5.886 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.865 6.630 -3.959 1.00 0.35 N ATOM 1252 CA ILE A 36 -8.249 5.270 -3.603 1.00 0.39 C ATOM 1253 C ILE A 36 -9.565 5.288 -2.833 1.00 0.33 C ATOM 1254 O ILE A 36 -10.400 4.394 -2.979 1.00 0.36 O ATOM 1255 CB ILE A 36 -7.128 4.567 -2.773 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.735 3.245 -3.432 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -7.533 4.330 -1.316 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.036 3.410 -4.764 1.00 0.94 C ATOM 0 H ILE A 36 -7.015 6.955 -3.498 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.386 4.697 -4.520 1.00 0.39 H new ATOM 0 HB ILE A 36 -6.271 5.240 -2.760 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -6.082 2.693 -2.756 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.631 2.641 -3.575 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.716 3.839 -0.787 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -7.752 5.285 -0.839 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -8.419 3.697 -1.283 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -5.789 2.429 -5.169 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -6.694 3.934 -5.458 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.121 3.987 -4.626 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.754 6.341 -2.042 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.962 6.499 -1.247 1.00 0.34 C ATOM 1272 C LYS A 37 -12.047 7.189 -2.063 1.00 0.31 C ATOM 1273 O LYS A 37 -13.183 7.330 -1.617 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.666 7.292 0.033 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.379 8.762 -0.215 1.00 0.39 C ATOM 1276 CD LYS A 37 -10.070 9.505 1.072 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.941 10.999 0.826 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.576 11.736 2.060 1.00 0.68 N ATOM 0 H LYS A 37 -9.080 7.100 -1.936 1.00 0.31 H new ATOM 0 HA LYS A 37 -11.319 5.509 -0.962 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.517 7.206 0.709 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.811 6.844 0.538 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.536 8.857 -0.900 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.239 9.222 -0.702 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.860 9.320 1.800 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -9.144 9.123 1.502 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -9.185 11.176 0.061 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.884 11.385 0.438 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.498 12.751 1.848 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -10.309 11.588 2.782 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.664 11.386 2.416 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.681 7.617 -3.262 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.622 8.287 -4.125 1.00 0.32 C ATOM 1294 C GLY A 38 -13.293 7.336 -5.094 1.00 0.31 C ATOM 1295 O GLY A 38 -14.513 7.352 -5.239 1.00 0.34 O ATOM 0 H GLY A 38 -10.744 7.510 -3.651 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.382 8.779 -3.518 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.106 9.068 -4.684 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.504 6.485 -5.741 1.00 0.39 N ATOM 1300 CA PHE A 39 -13.050 5.547 -6.714 1.00 0.45 C ATOM 1301 C PHE A 39 -13.769 4.382 -6.029 1.00 0.35 C ATOM 1302 O PHE A 39 -14.768 3.877 -6.544 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.948 5.047 -7.670 1.00 0.64 C ATOM 1304 CG PHE A 39 -11.266 3.771 -7.251 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -10.171 3.798 -6.406 1.00 1.01 C ATOM 1306 CD2 PHE A 39 -11.724 2.542 -7.708 1.00 0.93 C ATOM 1307 CE1 PHE A 39 -9.547 2.627 -6.021 1.00 1.39 C ATOM 1308 CE2 PHE A 39 -11.104 1.369 -7.326 1.00 1.30 C ATOM 1309 CZ PHE A 39 -10.016 1.412 -6.482 1.00 1.48 C ATOM 0 H PHE A 39 -11.494 6.425 -5.611 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.794 6.077 -7.309 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -12.386 4.899 -8.657 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -11.194 5.828 -7.769 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -9.800 4.745 -6.043 1.00 1.01 H new ATOM 0 HD2 PHE A 39 -12.576 2.503 -8.371 1.00 0.93 H new ATOM 0 HE1 PHE A 39 -8.693 2.661 -5.360 1.00 1.39 H new ATOM 0 HE2 PHE A 39 -11.471 0.420 -7.688 1.00 1.30 H new ATOM 0 HZ PHE A 39 -9.530 0.496 -6.181 1.00 1.48 H new ATOM 1319 N LYS A 40 -13.286 3.964 -4.863 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.909 2.858 -4.150 1.00 0.30 C ATOM 1321 C LYS A 40 -15.116 3.337 -3.357 1.00 0.32 C ATOM 1322 O LYS A 40 -15.893 2.537 -2.849 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.901 2.161 -3.236 1.00 0.41 C ATOM 1324 CG LYS A 40 -13.256 0.708 -2.960 1.00 0.86 C ATOM 1325 CD LYS A 40 -12.260 -0.247 -3.594 1.00 0.94 C ATOM 1326 CE LYS A 40 -12.478 -1.663 -3.096 1.00 1.41 C ATOM 1327 NZ LYS A 40 -11.646 -2.653 -3.828 1.00 1.48 N ATOM 0 H LYS A 40 -12.474 4.370 -4.397 1.00 0.27 H new ATOM 0 HA LYS A 40 -14.254 2.133 -4.888 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.912 2.207 -3.692 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.842 2.701 -2.291 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -13.286 0.540 -1.884 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -14.255 0.499 -3.343 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.362 -0.219 -4.679 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -11.244 0.073 -3.361 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -12.245 -1.712 -2.032 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -13.530 -1.926 -3.204 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -11.829 -3.605 -3.453 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -11.886 -2.627 -4.840 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -10.640 -2.420 -3.704 1.00 1.48 H new ATOM 1341 N LYS A 41 -15.282 4.651 -3.278 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.408 5.234 -2.566 1.00 0.35 C ATOM 1343 C LYS A 41 -17.690 5.029 -3.369 1.00 0.38 C ATOM 1344 O LYS A 41 -18.795 5.128 -2.839 1.00 0.40 O ATOM 1345 CB LYS A 41 -16.170 6.726 -2.331 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.947 7.294 -1.155 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.308 6.918 0.172 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.100 7.465 1.349 1.00 1.03 C ATOM 1349 NZ LYS A 41 -18.516 7.004 1.344 1.00 1.15 N ATOM 0 H LYS A 41 -14.650 5.332 -3.699 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.509 4.740 -1.600 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -15.106 6.893 -2.166 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -16.442 7.274 -3.233 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -16.996 8.379 -1.241 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -17.972 6.925 -1.183 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -16.242 5.833 0.250 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -15.289 7.303 0.208 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -16.623 7.156 2.279 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -17.075 8.554 1.325 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -19.144 7.815 1.173 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -18.649 6.298 0.592 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -18.745 6.577 2.264 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.528 4.744 -4.655 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.665 4.524 -5.536 1.00 0.54 C ATOM 1365 C ALA A 42 -18.880 3.039 -5.815 1.00 0.55 C ATOM 1366 O ALA A 42 -19.810 2.663 -6.527 1.00 0.75 O ATOM 1367 CB ALA A 42 -18.469 5.286 -6.840 1.00 0.61 C ATOM 0 H ALA A 42 -16.619 4.660 -5.110 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.557 4.897 -5.033 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -19.325 5.115 -7.493 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -18.380 6.352 -6.629 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.561 4.937 -7.332 1.00 0.61 H new ATOM 1373 N MET A 43 -18.027 2.196 -5.246 1.00 0.51 N ATOM 1374 CA MET A 43 -18.136 0.756 -5.450 1.00 0.58 C ATOM 1375 C MET A 43 -18.580 0.073 -4.168 1.00 0.58 C ATOM 1376 O MET A 43 -17.762 -0.416 -3.389 1.00 0.83 O ATOM 1377 CB MET A 43 -16.811 0.164 -5.940 1.00 0.76 C ATOM 1378 CG MET A 43 -16.439 0.597 -7.349 1.00 0.88 C ATOM 1379 SD MET A 43 -15.323 -0.557 -8.172 1.00 0.98 S ATOM 1380 CE MET A 43 -14.078 -0.798 -6.907 1.00 1.01 C ATOM 0 H MET A 43 -17.256 2.482 -4.643 1.00 0.51 H new ATOM 0 HA MET A 43 -18.887 0.581 -6.220 1.00 0.58 H new ATOM 0 HB2 MET A 43 -16.015 0.458 -5.256 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.874 -0.924 -5.907 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.347 0.701 -7.943 1.00 0.88 H new ATOM 0 HG3 MET A 43 -15.970 1.580 -7.309 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.203 -1.279 -7.344 1.00 1.01 H new ATOM 0 HE2 MET A 43 -13.791 0.168 -6.491 1.00 1.01 H new ATOM 0 HE3 MET A 43 -14.481 -1.429 -6.115 1.00 1.01 H new ATOM 1390 N SER A 44 -19.884 0.072 -3.950 1.00 0.62 N ATOM 1391 CA SER A 44 -20.467 -0.540 -2.774 1.00 0.76 C ATOM 1392 C SER A 44 -21.690 -1.361 -3.167 1.00 0.65 C ATOM 1393 O SER A 44 -22.749 -0.801 -3.471 1.00 0.73 O ATOM 1394 CB SER A 44 -20.856 0.550 -1.774 1.00 1.02 C ATOM 1395 OG SER A 44 -21.632 1.566 -2.403 1.00 1.20 O ATOM 0 H SER A 44 -20.564 0.494 -4.582 1.00 0.62 H new ATOM 0 HA SER A 44 -19.738 -1.205 -2.310 1.00 0.76 H new ATOM 0 HB2 SER A 44 -21.423 0.110 -0.953 1.00 1.02 H new ATOM 0 HB3 SER A 44 -19.957 0.989 -1.341 1.00 1.02 H new ATOM 0 HG SER A 44 -22.283 1.153 -3.008 1.00 1.20 H new ATOM 1401 N ASP A 45 -21.540 -2.679 -3.182 1.00 0.70 N ATOM 1402 CA ASP A 45 -22.631 -3.572 -3.551 1.00 0.76 C ATOM 1403 C ASP A 45 -22.340 -5.001 -3.110 1.00 0.90 C ATOM 1404 O ASP A 45 -21.648 -5.745 -3.807 1.00 1.22 O ATOM 1405 CB ASP A 45 -22.878 -3.531 -5.060 1.00 0.95 C ATOM 1406 CG ASP A 45 -24.184 -4.192 -5.455 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -25.205 -3.955 -4.771 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -24.201 -4.930 -6.462 1.00 1.63 O ATOM 0 H ASP A 45 -20.670 -3.155 -2.942 1.00 0.70 H new ATOM 0 HA ASP A 45 -23.529 -3.228 -3.039 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -22.884 -2.494 -5.395 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -22.054 -4.027 -5.573 1.00 0.95 H new ATOM 1413 N ASP A 46 -22.861 -5.354 -1.933 1.00 1.34 N ATOM 1414 CA ASP A 46 -22.702 -6.690 -1.350 1.00 1.66 C ATOM 1415 C ASP A 46 -21.247 -6.951 -0.968 1.00 1.26 C ATOM 1416 O ASP A 46 -20.495 -7.588 -1.708 1.00 1.63 O ATOM 1417 CB ASP A 46 -23.213 -7.781 -2.305 1.00 2.20 C ATOM 1418 CG ASP A 46 -23.478 -9.095 -1.597 1.00 3.24 C ATOM 1419 OD1 ASP A 46 -24.323 -9.115 -0.679 1.00 3.62 O ATOM 1420 OD2 ASP A 46 -22.863 -10.115 -1.971 1.00 4.04 O ATOM 0 H ASP A 46 -23.409 -4.718 -1.353 1.00 1.34 H new ATOM 0 HA ASP A 46 -23.306 -6.726 -0.443 1.00 1.66 H new ATOM 0 HB2 ASP A 46 -24.130 -7.439 -2.785 1.00 2.20 H new ATOM 0 HB3 ASP A 46 -22.480 -7.940 -3.096 1.00 2.20 H new ATOM 1425 N GLU A 47 -20.856 -6.437 0.193 1.00 1.46 N ATOM 1426 CA GLU A 47 -19.498 -6.595 0.692 1.00 1.73 C ATOM 1427 C GLU A 47 -19.493 -7.401 1.986 1.00 2.07 C ATOM 1428 O GLU A 47 -20.370 -7.152 2.843 1.00 2.59 O ATOM 1429 CB GLU A 47 -18.854 -5.226 0.933 1.00 2.46 C ATOM 1430 CG GLU A 47 -18.264 -4.578 -0.313 1.00 2.93 C ATOM 1431 CD GLU A 47 -19.264 -3.725 -1.066 1.00 3.75 C ATOM 1432 OE1 GLU A 47 -20.076 -3.039 -0.411 1.00 4.20 O ATOM 1433 OE2 GLU A 47 -19.229 -3.728 -2.314 1.00 4.30 O ATOM 0 H GLU A 47 -21.468 -5.903 0.810 1.00 1.46 H new ATOM 0 HA GLU A 47 -18.920 -7.132 -0.060 1.00 1.73 H new ATOM 0 HB2 GLU A 47 -19.602 -4.556 1.356 1.00 2.46 H new ATOM 0 HB3 GLU A 47 -18.066 -5.335 1.678 1.00 2.46 H new ATOM 0 HG2 GLU A 47 -17.412 -3.962 -0.027 1.00 2.93 H new ATOM 0 HG3 GLU A 47 -17.886 -5.356 -0.976 1.00 2.93 H new TER 1440 GLU A 47