USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 155:sc= -0.262 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.354 (180deg=0.226) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 1.68 (180deg=1.13) USER MOD Single : A 3 SER OG : rot 83:sc= 1.48 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc=-0.00925 (180deg=-0.171) USER MOD Single : A 18 MET CE :methyl -155:sc= -1.69 (180deg=-3.5) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 1.19 (180deg=-0.298) USER MOD Single : A 33 SER OG : rot -15:sc= 0.899 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 2.21 (180deg=1.78) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 2.83 (180deg=2.75) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 CYS SG : rot 3:sc= 0.443 USER MOD Single : B 1 MET CE :methyl 158:sc= -0.123 (180deg=-0.818) USER MOD Single : B 1 MET N :NH3+ -177:sc= 0.949 (180deg=0.783) USER MOD Single : B 2 LYS NZ :NH3+ -172:sc= -0.422 (180deg=-0.752) USER MOD Single : B 3 SER OG : rot 78:sc= 1.55 USER MOD Single : B 9 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.211) USER MOD Single : B 18 MET CE :methyl -152:sc= -2.35! (180deg=-4.29!) USER MOD Single : B 31 LYS NZ :NH3+ 139:sc= 1.28 (180deg=0.259) USER MOD Single : B 33 SER OG : rot -19:sc= 0.737 USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1) USER MOD Single : B 46 LYS NZ :NH3+ 175:sc= 2.26 (180deg=2.12) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 2.72 (180deg=2.72) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.16) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : B 54 CYS SG : rot 4:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.380 4.430 -11.634 1.00 2.39 N ATOM 2 CA MET A 1 -8.161 4.076 -12.389 1.00 1.49 C ATOM 3 C MET A 1 -7.131 5.194 -12.285 1.00 1.24 C ATOM 4 O MET A 1 -7.028 6.074 -13.144 1.00 1.91 O ATOM 5 CB MET A 1 -8.491 3.746 -13.852 1.00 2.01 C ATOM 6 CG MET A 1 -9.342 4.789 -14.558 1.00 2.70 C ATOM 7 SD MET A 1 -9.904 4.243 -16.182 1.00 3.90 S ATOM 8 CE MET A 1 -10.903 2.825 -15.732 1.00 4.80 C ATOM 0 H1 MET A 1 -10.046 3.632 -11.657 1.00 2.39 H new ATOM 0 H2 MET A 1 -9.128 4.643 -10.648 1.00 2.39 H new ATOM 0 H3 MET A 1 -9.825 5.265 -12.065 1.00 2.39 H new ATOM 0 HA MET A 1 -7.730 3.178 -11.947 1.00 1.49 H new ATOM 0 HB2 MET A 1 -7.558 3.623 -14.403 1.00 2.01 H new ATOM 0 HB3 MET A 1 -9.010 2.788 -13.887 1.00 2.01 H new ATOM 0 HG2 MET A 1 -10.207 5.026 -13.939 1.00 2.70 H new ATOM 0 HG3 MET A 1 -8.767 5.708 -14.667 1.00 2.70 H new ATOM 0 HE1 MET A 1 -11.651 2.647 -16.505 1.00 4.80 H new ATOM 0 HE2 MET A 1 -10.265 1.946 -15.635 1.00 4.80 H new ATOM 0 HE3 MET A 1 -11.401 3.018 -14.782 1.00 4.80 H new ATOM 20 N LYS A 2 -6.393 5.148 -11.186 1.00 0.91 N ATOM 21 CA LYS A 2 -5.379 6.140 -10.861 1.00 0.58 C ATOM 22 C LYS A 2 -4.119 5.965 -11.699 1.00 0.56 C ATOM 23 O LYS A 2 -4.138 5.310 -12.741 1.00 0.81 O ATOM 24 CB LYS A 2 -5.032 6.027 -9.376 1.00 0.74 C ATOM 25 CG LYS A 2 -6.194 6.413 -8.482 1.00 0.82 C ATOM 26 CD LYS A 2 -5.792 6.579 -7.031 1.00 0.85 C ATOM 27 CE LYS A 2 -5.573 5.244 -6.355 1.00 1.75 C ATOM 28 NZ LYS A 2 -5.182 5.409 -4.930 1.00 2.48 N ATOM 0 H LYS A 2 -6.483 4.411 -10.486 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.784 7.127 -11.085 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -4.729 5.004 -9.153 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.178 6.668 -9.155 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -6.629 7.345 -8.842 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -6.970 5.651 -8.554 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -4.879 7.171 -6.972 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -6.566 7.133 -6.500 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -6.485 4.651 -6.416 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -4.797 4.691 -6.884 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -5.490 4.577 -4.387 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -4.149 5.504 -4.862 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -5.634 6.262 -4.542 1.00 2.48 H new ATOM 42 N SER A 3 -3.033 6.572 -11.225 1.00 0.41 N ATOM 43 CA SER A 3 -1.725 6.464 -11.855 1.00 0.39 C ATOM 44 C SER A 3 -1.414 5.026 -12.245 1.00 0.37 C ATOM 45 O SER A 3 -1.103 4.728 -13.397 1.00 0.48 O ATOM 46 CB SER A 3 -0.669 6.963 -10.883 1.00 0.37 C ATOM 47 OG SER A 3 -0.957 8.274 -10.461 1.00 1.00 O ATOM 0 H SER A 3 -3.039 7.155 -10.388 1.00 0.41 H new ATOM 0 HA SER A 3 -1.726 7.067 -12.763 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.622 6.300 -10.019 1.00 0.37 H new ATOM 0 HB3 SER A 3 0.311 6.937 -11.359 1.00 0.37 H new ATOM 0 HG SER A 3 -1.601 8.246 -9.723 1.00 1.00 H new ATOM 53 N ILE A 4 -1.502 4.137 -11.268 1.00 0.29 N ATOM 54 CA ILE A 4 -1.323 2.722 -11.520 1.00 0.27 C ATOM 55 C ILE A 4 -2.653 2.147 -11.978 1.00 0.29 C ATOM 56 O ILE A 4 -2.710 1.244 -12.813 1.00 0.34 O ATOM 57 CB ILE A 4 -0.835 1.975 -10.263 1.00 0.25 C ATOM 58 CG1 ILE A 4 0.005 2.905 -9.377 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.025 0.751 -10.672 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.617 2.221 -8.174 1.00 0.26 C ATOM 0 H ILE A 4 -1.696 4.373 -10.295 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.561 2.595 -12.289 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.701 1.649 -9.687 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.802 3.341 -9.979 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.622 3.728 -9.034 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.318 0.227 -9.780 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.649 0.084 -11.268 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.836 1.065 -11.261 1.00 0.26 H new ATOM 0 HD11 ILE A 4 1.195 2.945 -7.599 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.174 1.809 -7.548 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.272 1.416 -8.507 1.00 0.26 H new ATOM 72 N GLY A 5 -3.725 2.703 -11.420 1.00 0.31 N ATOM 73 CA GLY A 5 -5.065 2.356 -11.843 1.00 0.35 C ATOM 74 C GLY A 5 -5.487 0.990 -11.375 1.00 0.33 C ATOM 75 O GLY A 5 -6.467 0.430 -11.869 1.00 0.51 O ATOM 0 H GLY A 5 -3.684 3.396 -10.673 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -5.766 3.099 -11.461 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.120 2.396 -12.931 1.00 0.35 H new ATOM 79 N VAL A 6 -4.764 0.456 -10.411 1.00 0.18 N ATOM 80 CA VAL A 6 -5.023 -0.894 -9.966 1.00 0.15 C ATOM 81 C VAL A 6 -5.516 -0.921 -8.531 1.00 0.14 C ATOM 82 O VAL A 6 -4.935 -0.303 -7.631 1.00 0.17 O ATOM 83 CB VAL A 6 -3.786 -1.811 -10.116 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.447 -2.024 -11.582 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.588 -1.238 -9.382 1.00 0.17 C ATOM 0 H VAL A 6 -4.002 0.931 -9.927 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.808 -1.283 -10.615 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.033 -2.775 -9.670 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.574 -2.672 -11.663 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.293 -2.490 -12.087 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.230 -1.063 -12.049 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.734 -1.904 -9.505 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.346 -0.257 -9.791 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -2.823 -1.141 -8.322 1.00 0.17 H new ATOM 95 N VAL A 7 -6.598 -1.654 -8.349 1.00 0.14 N ATOM 96 CA VAL A 7 -7.202 -1.856 -7.052 1.00 0.13 C ATOM 97 C VAL A 7 -6.985 -3.304 -6.631 1.00 0.14 C ATOM 98 O VAL A 7 -6.900 -4.195 -7.476 1.00 0.17 O ATOM 99 CB VAL A 7 -8.712 -1.502 -7.078 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.452 -2.357 -8.094 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.342 -1.638 -5.697 1.00 0.13 C ATOM 0 H VAL A 7 -7.085 -2.130 -9.108 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.732 -1.193 -6.326 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.799 -0.458 -7.380 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.509 -2.090 -8.093 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.035 -2.186 -9.086 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.344 -3.409 -7.832 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.400 -1.382 -5.753 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.235 -2.665 -5.348 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.842 -0.964 -5.001 1.00 0.13 H new ATOM 111 N ARG A 8 -6.833 -3.523 -5.342 1.00 0.14 N ATOM 112 CA ARG A 8 -6.580 -4.852 -4.809 1.00 0.15 C ATOM 113 C ARG A 8 -7.649 -5.236 -3.810 1.00 0.14 C ATOM 114 O ARG A 8 -8.399 -4.387 -3.334 1.00 0.17 O ATOM 115 CB ARG A 8 -5.209 -4.904 -4.127 1.00 0.18 C ATOM 116 CG ARG A 8 -4.110 -5.530 -4.971 1.00 0.28 C ATOM 117 CD ARG A 8 -4.110 -4.984 -6.391 1.00 0.34 C ATOM 118 NE ARG A 8 -2.936 -5.399 -7.152 1.00 0.67 N ATOM 119 CZ ARG A 8 -2.957 -5.724 -8.443 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.108 -5.746 -9.109 1.00 0.87 N ATOM 121 NH2 ARG A 8 -1.828 -6.049 -9.060 1.00 1.21 N ATOM 0 H ARG A 8 -6.880 -2.791 -4.634 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.596 -5.557 -5.641 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.911 -3.890 -3.859 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.300 -5.465 -3.197 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.142 -5.339 -4.508 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.243 -6.612 -4.997 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.010 -5.321 -6.906 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.151 -3.895 -6.358 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.042 -5.443 -6.663 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -4.978 -5.513 -8.631 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.120 -5.995 -10.098 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -0.947 -6.049 -8.545 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -1.841 -6.298 -10.049 1.00 1.21 H new ATOM 135 N LYS A 9 -7.716 -6.516 -3.504 1.00 0.14 N ATOM 136 CA LYS A 9 -8.605 -7.005 -2.471 1.00 0.15 C ATOM 137 C LYS A 9 -7.767 -7.574 -1.341 1.00 0.17 C ATOM 138 O LYS A 9 -6.880 -8.396 -1.582 1.00 0.22 O ATOM 139 CB LYS A 9 -9.550 -8.084 -3.017 1.00 0.22 C ATOM 140 CG LYS A 9 -10.323 -7.670 -4.264 1.00 0.51 C ATOM 141 CD LYS A 9 -11.038 -6.340 -4.080 1.00 0.36 C ATOM 142 CE LYS A 9 -12.025 -6.066 -5.209 1.00 0.98 C ATOM 143 NZ LYS A 9 -11.461 -6.382 -6.548 1.00 1.13 N ATOM 0 H LYS A 9 -7.161 -7.240 -3.960 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.219 -6.180 -2.109 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -8.969 -8.978 -3.244 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.261 -8.356 -2.237 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.637 -7.598 -5.108 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.052 -8.442 -4.511 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.567 -6.341 -3.127 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.304 -5.536 -4.036 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -12.927 -6.657 -5.050 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -12.321 -5.017 -5.182 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -12.054 -5.951 -7.285 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -10.495 -6.004 -6.616 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -11.439 -7.413 -6.681 1.00 1.13 H new ATOM 157 N VAL A 10 -8.025 -7.121 -0.125 1.00 0.16 N ATOM 158 CA VAL A 10 -7.324 -7.632 1.038 1.00 0.18 C ATOM 159 C VAL A 10 -7.543 -9.132 1.146 1.00 0.20 C ATOM 160 O VAL A 10 -8.639 -9.623 0.906 1.00 0.24 O ATOM 161 CB VAL A 10 -7.789 -6.927 2.336 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.403 -7.719 3.573 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.199 -5.534 2.416 1.00 0.18 C ATOM 0 H VAL A 10 -8.716 -6.399 0.081 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.261 -7.426 0.915 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.876 -6.861 2.302 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.746 -7.193 4.464 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.866 -8.705 3.533 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.319 -7.829 3.611 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.534 -5.049 3.333 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.111 -5.599 2.416 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.527 -4.950 1.556 1.00 0.18 H new ATOM 173 N ASP A 11 -6.480 -9.848 1.442 1.00 0.17 N ATOM 174 CA ASP A 11 -6.544 -11.289 1.619 1.00 0.21 C ATOM 175 C ASP A 11 -7.541 -11.623 2.715 1.00 0.22 C ATOM 176 O ASP A 11 -8.672 -12.014 2.440 1.00 0.24 O ATOM 177 CB ASP A 11 -5.153 -11.832 1.963 1.00 0.24 C ATOM 178 CG ASP A 11 -5.151 -13.305 2.319 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.523 -14.134 1.464 1.00 1.30 O ATOM 180 OD2 ASP A 11 -4.751 -13.636 3.454 1.00 1.31 O ATOM 0 H ASP A 11 -5.548 -9.453 1.567 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.876 -11.758 0.693 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.488 -11.670 1.114 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.746 -11.263 2.799 1.00 0.24 H new ATOM 185 N GLU A 12 -7.108 -11.444 3.949 1.00 0.23 N ATOM 186 CA GLU A 12 -7.967 -11.572 5.119 1.00 0.25 C ATOM 187 C GLU A 12 -7.366 -10.728 6.229 1.00 0.26 C ATOM 188 O GLU A 12 -8.048 -9.964 6.900 1.00 0.30 O ATOM 189 CB GLU A 12 -8.063 -13.029 5.592 1.00 0.29 C ATOM 190 CG GLU A 12 -8.564 -14.008 4.543 1.00 0.33 C ATOM 191 CD GLU A 12 -8.731 -15.405 5.094 1.00 0.40 C ATOM 192 OE1 GLU A 12 -9.488 -15.577 6.070 1.00 1.23 O ATOM 193 OE2 GLU A 12 -8.090 -16.335 4.561 1.00 1.10 O ATOM 0 H GLU A 12 -6.142 -11.204 4.173 1.00 0.23 H new ATOM 0 HA GLU A 12 -8.972 -11.239 4.862 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -7.078 -13.352 5.929 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.726 -13.073 6.456 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.519 -13.659 4.150 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.864 -14.031 3.707 1.00 0.33 H new ATOM 200 N LEU A 13 -6.055 -10.879 6.383 1.00 0.26 N ATOM 201 CA LEU A 13 -5.280 -10.138 7.373 1.00 0.27 C ATOM 202 C LEU A 13 -5.093 -8.688 6.943 1.00 0.26 C ATOM 203 O LEU A 13 -5.067 -7.771 7.765 1.00 0.41 O ATOM 204 CB LEU A 13 -3.902 -10.778 7.505 1.00 0.30 C ATOM 205 CG LEU A 13 -3.895 -12.298 7.638 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.505 -12.833 7.347 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.353 -12.717 9.026 1.00 0.72 C ATOM 0 H LEU A 13 -5.497 -11.522 5.822 1.00 0.26 H new ATOM 0 HA LEU A 13 -5.817 -10.164 8.321 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.308 -10.504 6.633 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.404 -10.352 8.376 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.592 -12.719 6.913 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.505 -13.919 7.443 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.215 -12.559 6.333 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -1.795 -12.406 8.056 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.341 -13.804 9.100 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -3.682 -12.295 9.774 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.365 -12.353 9.201 1.00 0.72 H new ATOM 219 N GLY A 14 -4.962 -8.499 5.640 1.00 0.17 N ATOM 220 CA GLY A 14 -4.618 -7.202 5.101 1.00 0.16 C ATOM 221 C GLY A 14 -3.673 -7.333 3.925 1.00 0.12 C ATOM 222 O GLY A 14 -3.400 -6.368 3.223 1.00 0.12 O ATOM 0 H GLY A 14 -5.089 -9.230 4.940 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.524 -6.683 4.787 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.155 -6.593 5.878 1.00 0.16 H new ATOM 226 N ARG A 15 -3.174 -8.547 3.720 1.00 0.12 N ATOM 227 CA ARG A 15 -2.226 -8.830 2.644 1.00 0.11 C ATOM 228 C ARG A 15 -2.851 -8.569 1.276 1.00 0.10 C ATOM 229 O ARG A 15 -3.961 -9.018 1.009 1.00 0.14 O ATOM 230 CB ARG A 15 -1.774 -10.294 2.707 1.00 0.15 C ATOM 231 CG ARG A 15 -1.444 -10.798 4.107 1.00 0.25 C ATOM 232 CD ARG A 15 -0.887 -12.214 4.068 1.00 0.40 C ATOM 233 NE ARG A 15 -1.833 -13.170 3.480 1.00 1.45 N ATOM 234 CZ ARG A 15 -1.489 -14.120 2.607 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.219 -14.278 2.253 1.00 1.51 N ATOM 236 NH2 ARG A 15 -2.419 -14.922 2.107 1.00 3.03 N ATOM 0 H ARG A 15 -3.412 -9.359 4.290 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.370 -8.168 2.777 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.559 -10.921 2.285 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.895 -10.416 2.075 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.718 -10.132 4.574 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.341 -10.775 4.725 1.00 0.25 H new ATOM 0 HD2 ARG A 15 0.039 -12.222 3.493 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -0.636 -12.531 5.080 1.00 0.40 H new ATOM 0 HE ARG A 15 -2.813 -13.105 3.755 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.500 -13.672 2.648 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.038 -15.005 1.586 1.00 1.51 H new ATOM 0 HH21 ARG A 15 -3.393 -14.812 2.389 1.00 3.03 H new ATOM 0 HH22 ARG A 15 -2.161 -15.649 1.440 1.00 3.03 H new ATOM 250 N ILE A 16 -2.145 -7.840 0.417 1.00 0.09 N ATOM 251 CA ILE A 16 -2.589 -7.629 -0.962 1.00 0.09 C ATOM 252 C ILE A 16 -1.374 -7.666 -1.890 1.00 0.10 C ATOM 253 O ILE A 16 -0.247 -7.850 -1.434 1.00 0.12 O ATOM 254 CB ILE A 16 -3.371 -6.293 -1.166 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.421 -5.131 -1.464 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.246 -5.975 0.040 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.084 -3.769 -1.415 1.00 0.13 C ATOM 0 H ILE A 16 -1.262 -7.384 0.649 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.286 -8.432 -1.201 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.021 -6.427 -2.030 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.601 -5.151 -0.746 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.983 -5.276 -2.452 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.777 -5.039 -0.133 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.966 -6.779 0.189 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.621 -5.879 0.928 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.347 -2.997 -1.637 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.886 -3.728 -2.153 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.497 -3.601 -0.420 1.00 0.13 H new ATOM 269 N VAL A 17 -1.591 -7.492 -3.182 1.00 0.10 N ATOM 270 CA VAL A 17 -0.501 -7.557 -4.140 1.00 0.11 C ATOM 271 C VAL A 17 -0.168 -6.171 -4.680 1.00 0.12 C ATOM 272 O VAL A 17 -0.927 -5.585 -5.448 1.00 0.19 O ATOM 273 CB VAL A 17 -0.814 -8.545 -5.297 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.218 -8.331 -5.846 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.219 -8.431 -6.412 1.00 0.17 C ATOM 0 H VAL A 17 -2.507 -7.306 -3.590 1.00 0.10 H new ATOM 0 HA VAL A 17 0.375 -7.937 -3.615 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.763 -9.553 -4.886 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.404 -9.038 -6.654 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.947 -8.488 -5.051 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.309 -7.314 -6.226 1.00 0.19 H new ATOM 0 HG21 VAL A 17 -0.026 -9.134 -7.208 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.214 -7.416 -6.810 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.208 -8.661 -6.016 1.00 0.17 H new ATOM 285 N MET A 18 0.964 -5.635 -4.253 1.00 0.11 N ATOM 286 CA MET A 18 1.408 -4.333 -4.734 1.00 0.12 C ATOM 287 C MET A 18 2.062 -4.502 -6.102 1.00 0.11 C ATOM 288 O MET A 18 2.590 -5.570 -6.407 1.00 0.13 O ATOM 289 CB MET A 18 2.379 -3.683 -3.745 1.00 0.15 C ATOM 290 CG MET A 18 1.846 -3.599 -2.323 1.00 0.28 C ATOM 291 SD MET A 18 0.179 -2.922 -2.231 1.00 0.84 S ATOM 292 CE MET A 18 0.431 -1.270 -2.861 1.00 0.80 C ATOM 0 H MET A 18 1.590 -6.076 -3.579 1.00 0.11 H new ATOM 0 HA MET A 18 0.545 -3.673 -4.824 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.311 -4.249 -3.741 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.618 -2.678 -4.093 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.852 -4.595 -1.880 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.516 -2.980 -1.726 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.344 -0.610 -2.471 1.00 0.80 H new ATOM 0 HE2 MET A 18 1.409 -0.906 -2.547 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.382 -1.284 -3.950 1.00 0.80 H new ATOM 302 N PRO A 19 2.036 -3.468 -6.954 1.00 0.12 N ATOM 303 CA PRO A 19 2.474 -3.602 -8.334 1.00 0.13 C ATOM 304 C PRO A 19 3.980 -3.442 -8.529 1.00 0.13 C ATOM 305 O PRO A 19 4.688 -2.828 -7.715 1.00 0.13 O ATOM 306 CB PRO A 19 1.720 -2.474 -9.036 1.00 0.15 C ATOM 307 CG PRO A 19 1.571 -1.409 -8.003 1.00 0.16 C ATOM 308 CD PRO A 19 1.593 -2.095 -6.654 1.00 0.15 C ATOM 0 HA PRO A 19 2.270 -4.601 -8.720 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.272 -2.109 -9.902 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.749 -2.813 -9.397 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.380 -0.682 -8.079 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.638 -0.864 -8.143 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.276 -1.598 -5.965 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.608 -2.087 -6.187 1.00 0.15 H new ATOM 316 N ILE A 20 4.461 -4.005 -9.626 1.00 0.15 N ATOM 317 CA ILE A 20 5.826 -3.789 -10.079 1.00 0.16 C ATOM 318 C ILE A 20 6.138 -2.295 -10.121 1.00 0.16 C ATOM 319 O ILE A 20 7.228 -1.868 -9.761 1.00 0.16 O ATOM 320 CB ILE A 20 6.039 -4.404 -11.481 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.377 -3.961 -12.084 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.887 -4.040 -12.410 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.584 -4.523 -11.376 1.00 0.26 C ATOM 0 H ILE A 20 3.917 -4.624 -10.227 1.00 0.15 H new ATOM 0 HA ILE A 20 6.500 -4.277 -9.375 1.00 0.16 H new ATOM 0 HB ILE A 20 6.063 -5.488 -11.369 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.410 -4.262 -13.131 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.431 -2.873 -12.064 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.057 -4.483 -13.391 1.00 0.22 H new ATOM 0 HG22 ILE A 20 3.953 -4.420 -11.997 1.00 0.22 H new ATOM 0 HG23 ILE A 20 4.826 -2.956 -12.507 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.491 -4.163 -11.862 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.578 -4.201 -10.335 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.557 -5.612 -11.419 1.00 0.26 H new ATOM 335 N GLU A 21 5.148 -1.513 -10.526 1.00 0.16 N ATOM 336 CA GLU A 21 5.278 -0.064 -10.612 1.00 0.17 C ATOM 337 C GLU A 21 5.611 0.530 -9.251 1.00 0.16 C ATOM 338 O GLU A 21 6.231 1.579 -9.163 1.00 0.19 O ATOM 339 CB GLU A 21 3.973 0.529 -11.131 1.00 0.18 C ATOM 340 CG GLU A 21 3.415 -0.214 -12.333 1.00 0.21 C ATOM 341 CD GLU A 21 4.299 -0.096 -13.561 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.212 -0.937 -13.727 1.00 1.08 O ATOM 343 OE2 GLU A 21 4.090 0.836 -14.364 1.00 1.03 O ATOM 0 H GLU A 21 4.232 -1.864 -10.804 1.00 0.16 H new ATOM 0 HA GLU A 21 6.091 0.176 -11.298 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.233 0.519 -10.330 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.137 1.572 -11.401 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.293 -1.267 -12.079 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.424 0.174 -12.566 1.00 0.21 H new ATOM 350 N LEU A 22 5.217 -0.163 -8.191 1.00 0.14 N ATOM 351 CA LEU A 22 5.521 0.273 -6.841 1.00 0.15 C ATOM 352 C LEU A 22 6.966 -0.051 -6.534 1.00 0.15 C ATOM 353 O LEU A 22 7.678 0.733 -5.910 1.00 0.17 O ATOM 354 CB LEU A 22 4.576 -0.396 -5.831 1.00 0.18 C ATOM 355 CG LEU A 22 5.222 -0.891 -4.532 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.278 -0.685 -3.362 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.592 -2.367 -4.649 1.00 0.20 C ATOM 0 H LEU A 22 4.685 -1.032 -8.244 1.00 0.14 H new ATOM 0 HA LEU A 22 5.373 1.350 -6.762 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.789 0.313 -5.575 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.095 -1.243 -6.320 1.00 0.18 H new ATOM 0 HG LEU A 22 6.131 -0.314 -4.358 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.750 -1.041 -2.446 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.048 0.376 -3.263 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.357 -1.241 -3.535 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.049 -2.702 -3.718 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.694 -2.953 -4.844 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.297 -2.501 -5.469 1.00 0.20 H new ATOM 369 N ARG A 23 7.398 -1.214 -7.002 1.00 0.13 N ATOM 370 CA ARG A 23 8.799 -1.600 -6.855 1.00 0.16 C ATOM 371 C ARG A 23 9.689 -0.642 -7.637 1.00 0.20 C ATOM 372 O ARG A 23 10.797 -0.314 -7.211 1.00 0.25 O ATOM 373 CB ARG A 23 9.063 -3.024 -7.340 1.00 0.18 C ATOM 374 CG ARG A 23 8.245 -4.097 -6.651 1.00 0.17 C ATOM 375 CD ARG A 23 8.842 -5.481 -6.905 1.00 0.24 C ATOM 376 NE ARG A 23 9.377 -5.632 -8.259 1.00 0.69 N ATOM 377 CZ ARG A 23 9.563 -6.804 -8.869 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.165 -7.936 -8.300 1.00 0.46 N ATOM 379 NH2 ARG A 23 10.155 -6.841 -10.054 1.00 1.05 N ATOM 0 H ARG A 23 6.811 -1.898 -7.480 1.00 0.13 H new ATOM 0 HA ARG A 23 9.030 -1.555 -5.791 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.866 -3.069 -8.411 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.120 -3.249 -7.201 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.210 -3.902 -5.579 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.218 -4.067 -7.014 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.637 -5.666 -6.183 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.076 -6.238 -6.736 1.00 0.24 H new ATOM 0 HE ARG A 23 9.624 -4.785 -8.770 1.00 0.69 H new ATOM 0 HH11 ARG A 23 8.711 -7.916 -7.387 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.313 -8.826 -8.776 1.00 0.46 H new ATOM 0 HH21 ARG A 23 10.466 -5.976 -10.496 1.00 1.05 H new ATOM 0 HH22 ARG A 23 10.299 -7.735 -10.524 1.00 1.05 H new ATOM 393 N ARG A 24 9.169 -0.185 -8.768 1.00 0.18 N ATOM 394 CA ARG A 24 9.904 0.668 -9.686 1.00 0.21 C ATOM 395 C ARG A 24 9.899 2.100 -9.184 1.00 0.23 C ATOM 396 O ARG A 24 10.876 2.836 -9.333 1.00 0.27 O ATOM 397 CB ARG A 24 9.258 0.610 -11.070 1.00 0.22 C ATOM 398 CG ARG A 24 9.281 -0.774 -11.693 1.00 0.23 C ATOM 399 CD ARG A 24 8.483 -0.817 -12.987 1.00 0.25 C ATOM 400 NE ARG A 24 9.148 -0.112 -14.081 1.00 0.35 N ATOM 401 CZ ARG A 24 8.532 0.258 -15.205 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.219 0.096 -15.335 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.227 0.805 -16.196 1.00 0.71 N ATOM 0 H ARG A 24 8.220 -0.398 -9.074 1.00 0.18 H new ATOM 0 HA ARG A 24 10.934 0.316 -9.749 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.225 0.948 -10.994 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.773 1.306 -11.732 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.312 -1.068 -11.890 1.00 0.23 H new ATOM 0 HG3 ARG A 24 8.872 -1.498 -10.988 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.320 -1.856 -13.275 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.501 -0.375 -12.819 1.00 0.25 H new ATOM 0 HE ARG A 24 10.138 0.110 -13.979 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.678 -0.313 -14.573 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.753 0.381 -16.196 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.233 0.943 -16.098 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.755 1.087 -17.055 1.00 0.71 H new ATOM 417 N ALA A 25 8.785 2.478 -8.582 1.00 0.21 N ATOM 418 CA ALA A 25 8.620 3.815 -8.050 1.00 0.23 C ATOM 419 C ALA A 25 9.495 4.004 -6.831 1.00 0.25 C ATOM 420 O ALA A 25 10.283 4.939 -6.751 1.00 0.26 O ATOM 421 CB ALA A 25 7.169 4.059 -7.684 1.00 0.23 C ATOM 0 H ALA A 25 7.976 1.871 -8.450 1.00 0.21 H new ATOM 0 HA ALA A 25 8.918 4.532 -8.815 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.059 5.068 -7.285 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.546 3.950 -8.572 1.00 0.23 H new ATOM 0 HB3 ALA A 25 6.857 3.335 -6.931 1.00 0.23 H new ATOM 427 N LEU A 26 9.375 3.076 -5.907 1.00 0.30 N ATOM 428 CA LEU A 26 10.053 3.183 -4.635 1.00 0.36 C ATOM 429 C LEU A 26 11.525 2.815 -4.755 1.00 0.39 C ATOM 430 O LEU A 26 12.365 3.664 -5.056 1.00 0.52 O ATOM 431 CB LEU A 26 9.360 2.293 -3.603 1.00 0.33 C ATOM 432 CG LEU A 26 7.965 2.744 -3.169 1.00 0.37 C ATOM 433 CD1 LEU A 26 7.286 1.660 -2.349 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.056 4.026 -2.363 1.00 0.47 C ATOM 0 H LEU A 26 8.810 2.234 -6.015 1.00 0.30 H new ATOM 0 HA LEU A 26 10.001 4.221 -4.307 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.285 1.285 -4.011 1.00 0.33 H new ATOM 0 HB3 LEU A 26 9.994 2.232 -2.718 1.00 0.33 H new ATOM 0 HG LEU A 26 7.369 2.929 -4.062 1.00 0.37 H new ATOM 0 HD11 LEU A 26 6.294 1.998 -2.049 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.194 0.754 -2.948 1.00 0.37 H new ATOM 0 HD13 LEU A 26 7.882 1.449 -1.461 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.056 4.337 -2.060 1.00 0.47 H new ATOM 0 HD22 LEU A 26 8.667 3.856 -1.477 1.00 0.47 H new ATOM 0 HD23 LEU A 26 8.510 4.808 -2.972 1.00 0.47 H new ATOM 446 N ASP A 27 11.820 1.535 -4.566 1.00 0.32 N ATOM 447 CA ASP A 27 13.195 1.067 -4.433 1.00 0.41 C ATOM 448 C ASP A 27 13.170 -0.428 -4.107 1.00 0.35 C ATOM 449 O ASP A 27 13.883 -0.893 -3.227 1.00 0.57 O ATOM 450 CB ASP A 27 13.878 1.866 -3.302 1.00 0.60 C ATOM 451 CG ASP A 27 15.396 1.782 -3.287 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.050 2.587 -3.989 1.00 1.36 O ATOM 453 OD2 ASP A 27 15.943 0.957 -2.527 1.00 1.72 O ATOM 0 H ASP A 27 11.119 0.797 -4.501 1.00 0.32 H new ATOM 0 HA ASP A 27 13.754 1.217 -5.357 1.00 0.41 H new ATOM 0 HB2 ASP A 27 13.587 2.913 -3.389 1.00 0.60 H new ATOM 0 HB3 ASP A 27 13.499 1.509 -2.344 1.00 0.60 H new ATOM 458 N ILE A 28 12.316 -1.179 -4.808 1.00 0.22 N ATOM 459 CA ILE A 28 12.139 -2.607 -4.520 1.00 0.18 C ATOM 460 C ILE A 28 12.593 -3.469 -5.692 1.00 0.22 C ATOM 461 O ILE A 28 12.317 -3.156 -6.852 1.00 0.28 O ATOM 462 CB ILE A 28 10.669 -2.985 -4.171 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.214 -2.341 -2.859 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.511 -4.494 -4.072 1.00 0.16 C ATOM 465 CD1 ILE A 28 9.822 -0.892 -2.984 1.00 0.19 C ATOM 0 H ILE A 28 11.740 -0.827 -5.573 1.00 0.22 H new ATOM 0 HA ILE A 28 12.759 -2.802 -3.645 1.00 0.18 H new ATOM 0 HB ILE A 28 10.042 -2.605 -4.978 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.366 -2.902 -2.467 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.018 -2.426 -2.128 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.477 -4.736 -3.827 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.775 -4.951 -5.026 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.168 -4.878 -3.292 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.513 -0.513 -2.010 1.00 0.19 H new ATOM 0 HD12 ILE A 28 10.673 -0.315 -3.344 1.00 0.19 H new ATOM 0 HD13 ILE A 28 8.996 -0.798 -3.689 1.00 0.19 H new ATOM 477 N ALA A 29 13.277 -4.561 -5.380 1.00 0.21 N ATOM 478 CA ALA A 29 13.738 -5.483 -6.402 1.00 0.25 C ATOM 479 C ALA A 29 12.911 -6.761 -6.415 1.00 0.25 C ATOM 480 O ALA A 29 12.420 -7.177 -7.464 1.00 0.30 O ATOM 481 CB ALA A 29 15.216 -5.798 -6.222 1.00 0.30 C ATOM 0 H ALA A 29 13.524 -4.828 -4.427 1.00 0.21 H new ATOM 0 HA ALA A 29 13.607 -4.995 -7.368 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.538 -6.491 -7.000 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.796 -4.878 -6.293 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.375 -6.252 -5.244 1.00 0.30 H new ATOM 487 N ILE A 30 12.757 -7.379 -5.254 1.00 0.23 N ATOM 488 CA ILE A 30 11.995 -8.619 -5.144 1.00 0.25 C ATOM 489 C ILE A 30 11.297 -8.685 -3.789 1.00 0.22 C ATOM 490 O ILE A 30 10.237 -9.286 -3.657 1.00 0.22 O ATOM 491 CB ILE A 30 12.913 -9.856 -5.365 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.103 -11.164 -5.474 1.00 0.32 C ATOM 493 CG2 ILE A 30 13.970 -9.951 -4.269 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.855 -11.878 -4.160 1.00 0.33 C ATOM 0 H ILE A 30 13.148 -7.044 -4.374 1.00 0.23 H new ATOM 0 HA ILE A 30 11.234 -8.632 -5.924 1.00 0.25 H new ATOM 0 HB ILE A 30 13.423 -9.717 -6.318 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.141 -10.940 -5.935 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.628 -11.843 -6.145 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.599 -10.823 -4.445 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.586 -9.052 -4.278 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.481 -10.046 -3.299 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.278 -12.785 -4.342 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.809 -12.140 -3.703 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.299 -11.223 -3.489 1.00 0.33 H new ATOM 506 N LYS A 31 11.903 -8.049 -2.793 1.00 0.21 N ATOM 507 CA LYS A 31 11.333 -7.943 -1.460 1.00 0.19 C ATOM 508 C LYS A 31 11.569 -6.538 -0.923 1.00 0.17 C ATOM 509 O LYS A 31 10.637 -5.844 -0.521 1.00 0.17 O ATOM 510 CB LYS A 31 11.973 -8.969 -0.514 1.00 0.22 C ATOM 511 CG LYS A 31 11.999 -10.381 -1.070 1.00 0.26 C ATOM 512 CD LYS A 31 12.212 -11.419 0.015 1.00 0.35 C ATOM 513 CE LYS A 31 10.968 -11.583 0.876 1.00 0.47 C ATOM 514 NZ LYS A 31 9.763 -11.838 0.056 1.00 1.46 N ATOM 0 H LYS A 31 12.809 -7.591 -2.891 1.00 0.21 H new ATOM 0 HA LYS A 31 10.263 -8.145 -1.518 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.993 -8.657 -0.291 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.427 -8.970 0.429 1.00 0.22 H new ATOM 0 HG2 LYS A 31 11.060 -10.584 -1.586 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.794 -10.464 -1.811 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.471 -12.375 -0.440 1.00 0.35 H new ATOM 0 HD3 LYS A 31 13.054 -11.126 0.642 1.00 0.35 H new ATOM 0 HE2 LYS A 31 11.115 -12.408 1.573 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.818 -10.684 1.473 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 9.122 -12.476 0.570 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 9.277 -10.939 -0.136 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 10.042 -12.279 -0.844 1.00 1.46 H new ATOM 528 N ASP A 32 12.833 -6.132 -0.979 1.00 0.17 N ATOM 529 CA ASP A 32 13.301 -4.838 -0.476 1.00 0.16 C ATOM 530 C ASP A 32 12.569 -4.358 0.783 1.00 0.17 C ATOM 531 O ASP A 32 12.765 -4.935 1.845 1.00 0.25 O ATOM 532 CB ASP A 32 13.282 -3.808 -1.597 1.00 0.16 C ATOM 533 CG ASP A 32 14.633 -3.736 -2.280 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.521 -3.014 -1.789 1.00 1.05 O ATOM 535 OD2 ASP A 32 14.823 -4.426 -3.297 1.00 1.18 O ATOM 0 H ASP A 32 13.577 -6.701 -1.382 1.00 0.17 H new ATOM 0 HA ASP A 32 14.331 -4.973 -0.147 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.514 -4.069 -2.325 1.00 0.16 H new ATOM 0 HB3 ASP A 32 13.020 -2.830 -1.194 1.00 0.16 H new ATOM 540 N SER A 33 11.746 -3.305 0.679 1.00 0.13 N ATOM 541 CA SER A 33 11.030 -2.759 1.848 1.00 0.13 C ATOM 542 C SER A 33 9.901 -1.816 1.415 1.00 0.14 C ATOM 543 O SER A 33 10.050 -1.072 0.451 1.00 0.18 O ATOM 544 CB SER A 33 11.984 -1.975 2.763 1.00 0.17 C ATOM 545 OG SER A 33 13.052 -2.777 3.234 1.00 0.21 O ATOM 0 H SER A 33 11.558 -2.815 -0.195 1.00 0.13 H new ATOM 0 HA SER A 33 10.614 -3.609 2.388 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.386 -1.120 2.219 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.427 -1.579 3.612 1.00 0.17 H new ATOM 0 HG SER A 33 12.841 -3.722 3.086 1.00 0.21 H new ATOM 551 N ILE A 34 8.775 -1.854 2.127 1.00 0.13 N ATOM 552 CA ILE A 34 7.682 -0.901 1.899 1.00 0.15 C ATOM 553 C ILE A 34 7.057 -0.485 3.229 1.00 0.13 C ATOM 554 O ILE A 34 6.377 -1.276 3.871 1.00 0.14 O ATOM 555 CB ILE A 34 6.544 -1.460 1.008 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.077 -2.120 -0.263 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.585 -0.343 0.640 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.471 -3.562 -0.064 1.00 0.19 C ATOM 0 H ILE A 34 8.593 -2.533 2.866 1.00 0.13 H new ATOM 0 HA ILE A 34 8.139 -0.057 1.383 1.00 0.15 H new ATOM 0 HB ILE A 34 6.024 -2.226 1.583 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.316 -2.062 -1.041 1.00 0.19 H new ATOM 0 HG13 ILE A 34 7.941 -1.560 -0.620 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.787 -0.741 0.014 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.157 0.082 1.547 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.122 0.433 0.094 1.00 0.28 H new ATOM 0 HD11 ILE A 34 7.841 -3.971 -1.004 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.254 -3.624 0.692 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.603 -4.134 0.264 1.00 0.19 H new ATOM 570 N GLU A 35 7.297 0.746 3.633 1.00 0.14 N ATOM 571 CA GLU A 35 6.781 1.274 4.893 1.00 0.13 C ATOM 572 C GLU A 35 5.628 2.237 4.622 1.00 0.15 C ATOM 573 O GLU A 35 5.738 3.116 3.763 1.00 0.20 O ATOM 574 CB GLU A 35 7.921 1.986 5.623 1.00 0.16 C ATOM 575 CG GLU A 35 7.523 2.666 6.919 1.00 0.28 C ATOM 576 CD GLU A 35 8.669 3.462 7.505 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.297 4.239 6.743 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.950 3.303 8.715 1.00 1.31 O ATOM 0 H GLU A 35 7.855 1.414 3.101 1.00 0.14 H new ATOM 0 HA GLU A 35 6.402 0.463 5.515 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.706 1.260 5.837 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.351 2.733 4.955 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.675 3.327 6.738 1.00 0.28 H new ATOM 0 HG3 GLU A 35 7.195 1.916 7.638 1.00 0.28 H new ATOM 585 N PHE A 36 4.517 2.083 5.338 1.00 0.16 N ATOM 586 CA PHE A 36 3.336 2.892 5.045 1.00 0.17 C ATOM 587 C PHE A 36 3.001 3.883 6.156 1.00 0.18 C ATOM 588 O PHE A 36 3.366 3.717 7.321 1.00 0.19 O ATOM 589 CB PHE A 36 2.107 2.027 4.724 1.00 0.20 C ATOM 590 CG PHE A 36 2.371 0.552 4.687 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.037 -0.019 3.615 1.00 1.16 C ATOM 592 CD2 PHE A 36 1.935 -0.265 5.713 1.00 1.25 C ATOM 593 CE1 PHE A 36 3.268 -1.375 3.572 1.00 1.13 C ATOM 594 CE2 PHE A 36 2.166 -1.625 5.675 1.00 1.33 C ATOM 595 CZ PHE A 36 2.831 -2.179 4.602 1.00 0.41 C ATOM 0 H PHE A 36 4.409 1.422 6.107 1.00 0.16 H new ATOM 0 HA PHE A 36 3.596 3.468 4.157 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.336 2.226 5.468 1.00 0.20 H new ATOM 0 HB3 PHE A 36 1.705 2.335 3.759 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.379 0.607 2.804 1.00 1.16 H new ATOM 0 HD2 PHE A 36 1.409 0.165 6.552 1.00 1.25 H new ATOM 0 HE1 PHE A 36 3.791 -1.808 2.732 1.00 1.13 H new ATOM 0 HE2 PHE A 36 1.826 -2.254 6.484 1.00 1.33 H new ATOM 0 HZ PHE A 36 3.009 -3.244 4.569 1.00 0.41 H new ATOM 605 N PHE A 37 2.302 4.924 5.736 1.00 0.21 N ATOM 606 CA PHE A 37 1.848 6.018 6.580 1.00 0.25 C ATOM 607 C PHE A 37 0.354 6.117 6.385 1.00 0.32 C ATOM 608 O PHE A 37 -0.150 5.693 5.357 1.00 0.65 O ATOM 609 CB PHE A 37 2.560 7.304 6.114 1.00 0.36 C ATOM 610 CG PHE A 37 2.349 8.542 6.950 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.222 9.333 6.783 1.00 1.71 C ATOM 612 CD2 PHE A 37 3.307 8.937 7.871 1.00 1.41 C ATOM 613 CE1 PHE A 37 1.052 10.487 7.522 1.00 2.22 C ATOM 614 CE2 PHE A 37 3.140 10.089 8.617 1.00 1.87 C ATOM 615 CZ PHE A 37 2.012 10.866 8.440 1.00 2.02 C ATOM 0 H PHE A 37 2.024 5.035 4.761 1.00 0.21 H new ATOM 0 HA PHE A 37 2.073 5.864 7.635 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.630 7.102 6.070 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.235 7.522 5.097 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.468 9.043 6.066 1.00 1.71 H new ATOM 0 HD2 PHE A 37 4.195 8.337 8.007 1.00 1.41 H new ATOM 0 HE1 PHE A 37 0.169 11.093 7.382 1.00 2.22 H new ATOM 0 HE2 PHE A 37 3.890 10.381 9.337 1.00 1.87 H new ATOM 0 HZ PHE A 37 1.881 11.769 9.018 1.00 2.02 H new ATOM 625 N VAL A 38 -0.360 6.614 7.357 1.00 0.20 N ATOM 626 CA VAL A 38 -1.788 6.788 7.185 1.00 0.18 C ATOM 627 C VAL A 38 -2.167 8.242 7.395 1.00 0.18 C ATOM 628 O VAL A 38 -1.726 8.879 8.350 1.00 0.23 O ATOM 629 CB VAL A 38 -2.620 5.857 8.098 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.201 5.981 9.555 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.103 6.159 7.940 1.00 0.23 C ATOM 0 H VAL A 38 0.008 6.903 8.263 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.027 6.502 6.161 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.432 4.828 7.790 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.807 5.312 10.166 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.150 5.711 9.655 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.345 7.009 9.889 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.680 5.498 8.587 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.295 7.196 8.217 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.398 6.000 6.903 1.00 0.23 H new ATOM 641 N ASP A 39 -2.968 8.759 6.482 1.00 0.17 N ATOM 642 CA ASP A 39 -3.320 10.170 6.481 1.00 0.21 C ATOM 643 C ASP A 39 -4.825 10.330 6.381 1.00 0.23 C ATOM 644 O ASP A 39 -5.399 10.261 5.289 1.00 0.25 O ATOM 645 CB ASP A 39 -2.627 10.900 5.327 1.00 0.25 C ATOM 646 CG ASP A 39 -2.946 12.380 5.297 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.675 13.076 6.296 1.00 1.16 O ATOM 648 OD2 ASP A 39 -3.454 12.863 4.264 1.00 1.13 O ATOM 0 H ASP A 39 -3.391 8.220 5.726 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.980 10.613 7.417 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.549 10.767 5.413 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.930 10.448 4.382 1.00 0.25 H new ATOM 653 N GLY A 40 -5.459 10.514 7.531 1.00 0.26 N ATOM 654 CA GLY A 40 -6.901 10.596 7.587 1.00 0.31 C ATOM 655 C GLY A 40 -7.544 9.257 7.301 1.00 0.27 C ATOM 656 O GLY A 40 -7.897 8.516 8.220 1.00 0.32 O ATOM 0 H GLY A 40 -4.993 10.608 8.433 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.209 10.945 8.573 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.253 11.332 6.864 1.00 0.31 H new ATOM 660 N ASP A 41 -7.675 8.944 6.021 1.00 0.25 N ATOM 661 CA ASP A 41 -8.240 7.674 5.597 1.00 0.25 C ATOM 662 C ASP A 41 -7.293 6.943 4.656 1.00 0.22 C ATOM 663 O ASP A 41 -7.419 5.744 4.465 1.00 0.30 O ATOM 664 CB ASP A 41 -9.575 7.887 4.879 1.00 0.36 C ATOM 665 CG ASP A 41 -10.646 8.471 5.774 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.323 7.701 6.481 1.00 2.00 O ATOM 667 OD2 ASP A 41 -10.830 9.706 5.763 1.00 1.84 O ATOM 0 H ASP A 41 -7.396 9.556 5.255 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.396 7.074 6.493 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.421 8.550 4.028 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -9.923 6.933 4.482 1.00 0.36 H new ATOM 672 N LYS A 42 -6.332 7.662 4.085 1.00 0.21 N ATOM 673 CA LYS A 42 -5.514 7.113 3.011 1.00 0.24 C ATOM 674 C LYS A 42 -4.222 6.522 3.565 1.00 0.17 C ATOM 675 O LYS A 42 -3.852 6.783 4.712 1.00 0.17 O ATOM 676 CB LYS A 42 -5.195 8.198 1.970 1.00 0.36 C ATOM 677 CG LYS A 42 -3.732 8.621 1.956 1.00 0.31 C ATOM 678 CD LYS A 42 -3.472 9.798 1.030 1.00 0.31 C ATOM 679 CE LYS A 42 -4.301 11.015 1.416 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.836 12.241 0.717 1.00 1.05 N ATOM 0 H LYS A 42 -6.102 8.621 4.347 1.00 0.21 H new ATOM 0 HA LYS A 42 -6.079 6.317 2.527 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.468 7.831 0.980 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.815 9.072 2.168 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.424 8.885 2.968 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.117 7.777 1.646 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.413 10.056 1.058 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.703 9.511 0.004 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -5.348 10.833 1.174 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -4.244 11.167 2.494 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -4.424 13.049 1.005 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -2.844 12.428 0.967 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.914 12.105 -0.311 1.00 1.05 H new ATOM 694 N ILE A 43 -3.531 5.749 2.738 1.00 0.16 N ATOM 695 CA ILE A 43 -2.265 5.145 3.134 1.00 0.14 C ATOM 696 C ILE A 43 -1.156 5.610 2.189 1.00 0.15 C ATOM 697 O ILE A 43 -1.382 5.768 0.987 1.00 0.17 O ATOM 698 CB ILE A 43 -2.341 3.598 3.126 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.444 3.098 4.072 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.999 2.983 3.512 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.089 3.176 5.546 1.00 0.15 C ATOM 0 H ILE A 43 -3.826 5.525 1.788 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.046 5.464 4.153 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.586 3.284 2.111 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.348 3.682 3.897 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.679 2.064 3.822 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.080 1.896 3.499 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.236 3.299 2.801 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.721 3.314 4.513 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.923 2.804 6.141 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.205 2.569 5.740 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.884 4.212 5.817 1.00 0.15 H new ATOM 713 N ILE A 44 0.032 5.827 2.734 1.00 0.14 N ATOM 714 CA ILE A 44 1.144 6.388 1.980 1.00 0.16 C ATOM 715 C ILE A 44 2.364 5.470 2.057 1.00 0.16 C ATOM 716 O ILE A 44 2.980 5.324 3.116 1.00 0.22 O ATOM 717 CB ILE A 44 1.515 7.782 2.530 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.265 8.665 2.624 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.566 8.438 1.643 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.471 9.934 3.420 1.00 0.27 C ATOM 0 H ILE A 44 0.252 5.620 3.708 1.00 0.14 H new ATOM 0 HA ILE A 44 0.835 6.481 0.939 1.00 0.16 H new ATOM 0 HB ILE A 44 1.932 7.664 3.530 1.00 0.20 H new ATOM 0 HG12 ILE A 44 -0.059 8.928 1.617 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.541 8.089 3.078 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.818 9.420 2.043 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.461 7.816 1.618 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.172 8.548 0.633 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.457 10.505 3.441 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.765 9.681 4.439 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.254 10.532 2.955 1.00 0.27 H new ATOM 732 N LEU A 45 2.711 4.857 0.936 1.00 0.15 N ATOM 733 CA LEU A 45 3.787 3.873 0.898 1.00 0.17 C ATOM 734 C LEU A 45 5.119 4.501 0.497 1.00 0.20 C ATOM 735 O LEU A 45 5.192 5.306 -0.435 1.00 0.26 O ATOM 736 CB LEU A 45 3.437 2.725 -0.056 1.00 0.21 C ATOM 737 CG LEU A 45 2.599 1.593 0.553 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.265 2.100 1.073 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.377 0.493 -0.469 1.00 0.32 C ATOM 0 H LEU A 45 2.262 5.023 0.035 1.00 0.15 H new ATOM 0 HA LEU A 45 3.897 3.477 1.907 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.896 3.136 -0.908 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.364 2.301 -0.441 1.00 0.21 H new ATOM 0 HG LEU A 45 3.155 1.190 1.399 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.700 1.270 1.497 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.437 2.852 1.843 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.699 2.543 0.253 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.781 -0.303 -0.023 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.851 0.900 -1.333 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.339 0.092 -0.786 1.00 0.32 H new ATOM 751 N LYS A 46 6.162 4.114 1.227 1.00 0.19 N ATOM 752 CA LYS A 46 7.523 4.585 0.997 1.00 0.30 C ATOM 753 C LYS A 46 8.511 3.499 1.406 1.00 0.22 C ATOM 754 O LYS A 46 8.363 2.904 2.466 1.00 0.30 O ATOM 755 CB LYS A 46 7.795 5.850 1.825 1.00 0.52 C ATOM 756 CG LYS A 46 9.257 6.282 1.820 1.00 0.86 C ATOM 757 CD LYS A 46 9.571 7.251 2.954 1.00 1.04 C ATOM 758 CE LYS A 46 9.387 6.606 4.325 1.00 1.30 C ATOM 759 NZ LYS A 46 10.419 5.572 4.623 1.00 2.16 N ATOM 0 H LYS A 46 6.084 3.457 2.003 1.00 0.19 H new ATOM 0 HA LYS A 46 7.641 4.818 -0.061 1.00 0.30 H new ATOM 0 HB2 LYS A 46 7.183 6.665 1.439 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.480 5.675 2.854 1.00 0.52 H new ATOM 0 HG2 LYS A 46 9.895 5.403 1.908 1.00 0.86 H new ATOM 0 HG3 LYS A 46 9.493 6.753 0.865 1.00 0.86 H new ATOM 0 HD2 LYS A 46 10.597 7.605 2.855 1.00 1.04 H new ATOM 0 HD3 LYS A 46 8.924 8.124 2.874 1.00 1.04 H new ATOM 0 HE2 LYS A 46 9.423 7.379 5.092 1.00 1.30 H new ATOM 0 HE3 LYS A 46 8.398 6.151 4.377 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 10.024 4.865 5.275 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 10.708 5.105 3.740 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 11.246 6.024 5.062 1.00 2.16 H new ATOM 773 N LYS A 47 9.512 3.239 0.579 1.00 0.27 N ATOM 774 CA LYS A 47 10.563 2.292 0.942 1.00 0.28 C ATOM 775 C LYS A 47 11.320 2.842 2.159 1.00 0.25 C ATOM 776 O LYS A 47 11.319 4.049 2.398 1.00 0.32 O ATOM 777 CB LYS A 47 11.498 2.057 -0.258 1.00 0.37 C ATOM 778 CG LYS A 47 12.292 0.753 -0.208 1.00 0.41 C ATOM 779 CD LYS A 47 13.585 0.891 0.578 1.00 0.36 C ATOM 780 CE LYS A 47 14.399 -0.394 0.563 1.00 0.52 C ATOM 781 NZ LYS A 47 14.906 -0.715 -0.793 1.00 0.39 N ATOM 0 H LYS A 47 9.622 3.665 -0.341 1.00 0.27 H new ATOM 0 HA LYS A 47 10.132 1.327 1.208 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.903 2.069 -1.171 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.198 2.890 -0.323 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.677 -0.026 0.243 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.520 0.431 -1.224 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.180 1.702 0.158 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.356 1.163 1.608 1.00 0.36 H new ATOM 0 HE2 LYS A 47 15.239 -0.299 1.251 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.783 -1.218 0.924 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.469 -1.589 -0.755 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.104 -0.848 -1.441 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.501 0.066 -1.135 1.00 0.39 H new ATOM 795 N TYR A 48 11.939 1.969 2.932 1.00 0.22 N ATOM 796 CA TYR A 48 12.565 2.367 4.190 1.00 0.22 C ATOM 797 C TYR A 48 13.817 3.211 3.937 1.00 0.27 C ATOM 798 O TYR A 48 13.994 4.277 4.526 1.00 0.32 O ATOM 799 CB TYR A 48 12.926 1.111 4.986 1.00 0.23 C ATOM 800 CG TYR A 48 13.168 1.355 6.459 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.110 1.333 7.360 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.446 1.590 6.953 1.00 1.16 C ATOM 803 CE1 TYR A 48 12.318 1.545 8.707 1.00 1.17 C ATOM 804 CE2 TYR A 48 14.660 1.800 8.303 1.00 1.25 C ATOM 805 CZ TYR A 48 13.593 1.775 9.175 1.00 0.58 C ATOM 806 OH TYR A 48 13.799 1.978 10.520 1.00 0.74 O ATOM 0 H TYR A 48 12.025 0.976 2.715 1.00 0.22 H new ATOM 0 HA TYR A 48 11.863 2.976 4.759 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.122 0.383 4.878 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.821 0.665 4.552 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.109 1.147 7.000 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.284 1.609 6.272 1.00 1.16 H new ATOM 0 HE1 TYR A 48 11.484 1.531 9.393 1.00 1.17 H new ATOM 0 HE2 TYR A 48 15.658 1.983 8.672 1.00 1.25 H new ATOM 0 HH TYR A 48 14.754 2.125 10.686 1.00 0.74 H new ATOM 816 N LYS A 49 14.669 2.700 3.059 1.00 0.33 N ATOM 817 CA LYS A 49 15.936 3.340 2.682 1.00 0.49 C ATOM 818 C LYS A 49 15.788 4.823 2.271 1.00 0.57 C ATOM 819 O LYS A 49 16.488 5.667 2.832 1.00 0.64 O ATOM 820 CB LYS A 49 16.591 2.534 1.556 1.00 0.63 C ATOM 821 CG LYS A 49 17.961 3.047 1.143 1.00 0.91 C ATOM 822 CD LYS A 49 18.549 2.221 0.009 1.00 2.03 C ATOM 823 CE LYS A 49 18.960 0.834 0.476 1.00 2.39 C ATOM 824 NZ LYS A 49 19.480 0.004 -0.642 1.00 2.86 N ATOM 0 H LYS A 49 14.503 1.816 2.578 1.00 0.33 H new ATOM 0 HA LYS A 49 16.569 3.343 3.569 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.684 1.495 1.874 1.00 0.63 H new ATOM 0 HB3 LYS A 49 15.934 2.544 0.687 1.00 0.63 H new ATOM 0 HG2 LYS A 49 17.882 4.089 0.832 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.634 3.021 2.000 1.00 0.91 H new ATOM 0 HD2 LYS A 49 17.817 2.132 -0.794 1.00 2.03 H new ATOM 0 HD3 LYS A 49 19.415 2.737 -0.405 1.00 2.03 H new ATOM 0 HE2 LYS A 49 19.724 0.923 1.248 1.00 2.39 H new ATOM 0 HE3 LYS A 49 18.104 0.335 0.930 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 19.749 -0.934 -0.282 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 18.743 -0.102 -1.368 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 20.313 0.467 -1.060 1.00 2.86 H new ATOM 838 N PRO A 50 14.912 5.156 1.276 1.00 0.64 N ATOM 839 CA PRO A 50 14.706 6.534 0.802 1.00 0.86 C ATOM 840 C PRO A 50 14.737 7.576 1.914 1.00 0.91 C ATOM 841 O PRO A 50 14.142 7.389 2.980 1.00 1.81 O ATOM 842 CB PRO A 50 13.320 6.467 0.175 1.00 1.03 C ATOM 843 CG PRO A 50 13.257 5.102 -0.403 1.00 0.79 C ATOM 844 CD PRO A 50 14.064 4.218 0.516 1.00 0.59 C ATOM 0 HA PRO A 50 15.500 6.848 0.125 1.00 0.86 H new ATOM 0 HB2 PRO A 50 12.537 6.623 0.917 1.00 1.03 H new ATOM 0 HB3 PRO A 50 13.190 7.232 -0.591 1.00 1.03 H new ATOM 0 HG2 PRO A 50 12.226 4.755 -0.470 1.00 0.79 H new ATOM 0 HG3 PRO A 50 13.665 5.088 -1.414 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.420 3.639 1.178 1.00 0.59 H new ATOM 0 HD3 PRO A 50 14.666 3.504 -0.047 1.00 0.59 H new ATOM 852 N HIS A 51 15.428 8.676 1.649 1.00 0.98 N ATOM 853 CA HIS A 51 15.630 9.709 2.650 1.00 1.17 C ATOM 854 C HIS A 51 14.355 10.504 2.880 1.00 1.76 C ATOM 855 O HIS A 51 13.510 10.626 1.989 1.00 2.56 O ATOM 856 CB HIS A 51 16.787 10.626 2.257 1.00 2.12 C ATOM 857 CG HIS A 51 18.118 9.943 2.299 1.00 2.93 C ATOM 858 ND1 HIS A 51 18.852 9.655 1.173 1.00 3.83 N ATOM 859 CD2 HIS A 51 18.838 9.472 3.344 1.00 3.56 C ATOM 860 CE1 HIS A 51 19.968 9.043 1.520 1.00 4.69 C ATOM 861 NE2 HIS A 51 19.983 8.918 2.832 1.00 4.56 N ATOM 0 H HIS A 51 15.858 8.874 0.746 1.00 0.98 H new ATOM 0 HA HIS A 51 15.891 9.222 3.590 1.00 1.17 H new ATOM 0 HB2 HIS A 51 16.614 11.009 1.251 1.00 2.12 H new ATOM 0 HB3 HIS A 51 16.805 11.486 2.927 1.00 2.12 H new ATOM 0 HD2 HIS A 51 18.562 9.523 4.387 1.00 3.56 H new ATOM 0 HE1 HIS A 51 20.738 8.702 0.844 1.00 4.69 H new ATOM 0 HE2 HIS A 51 20.725 8.480 3.378 1.00 4.56 H new ATOM 870 N GLY A 52 14.233 11.044 4.076 1.00 2.14 N ATOM 871 CA GLY A 52 12.993 11.633 4.513 1.00 3.14 C ATOM 872 C GLY A 52 12.436 10.838 5.661 1.00 2.89 C ATOM 873 O GLY A 52 11.482 10.076 5.500 1.00 3.06 O ATOM 0 H GLY A 52 14.986 11.085 4.763 1.00 2.14 H new ATOM 0 HA2 GLY A 52 13.157 12.666 4.818 1.00 3.14 H new ATOM 0 HA3 GLY A 52 12.278 11.653 3.690 1.00 3.14 H new ATOM 877 N VAL A 53 13.070 11.005 6.814 1.00 2.85 N ATOM 878 CA VAL A 53 12.800 10.183 7.988 1.00 2.75 C ATOM 879 C VAL A 53 11.314 10.134 8.345 1.00 2.07 C ATOM 880 O VAL A 53 10.604 11.143 8.302 1.00 1.96 O ATOM 881 CB VAL A 53 13.616 10.654 9.216 1.00 3.40 C ATOM 882 CG1 VAL A 53 13.246 12.076 9.616 1.00 3.54 C ATOM 883 CG2 VAL A 53 13.433 9.691 10.384 1.00 3.58 C ATOM 0 H VAL A 53 13.787 11.715 6.963 1.00 2.85 H new ATOM 0 HA VAL A 53 13.113 9.174 7.720 1.00 2.75 H new ATOM 0 HB VAL A 53 14.670 10.656 8.937 1.00 3.40 H new ATOM 0 HG11 VAL A 53 13.837 12.376 10.481 1.00 3.54 H new ATOM 0 HG12 VAL A 53 13.449 12.752 8.786 1.00 3.54 H new ATOM 0 HG13 VAL A 53 12.186 12.119 9.868 1.00 3.54 H new ATOM 0 HG21 VAL A 53 14.015 10.040 11.237 1.00 3.58 H new ATOM 0 HG22 VAL A 53 12.379 9.646 10.657 1.00 3.58 H new ATOM 0 HG23 VAL A 53 13.775 8.698 10.093 1.00 3.58 H new ATOM 893 N CYS A 54 10.876 8.931 8.686 1.00 1.91 N ATOM 894 CA CYS A 54 9.501 8.639 9.054 1.00 1.51 C ATOM 895 C CYS A 54 9.479 7.346 9.851 1.00 2.04 C ATOM 896 O CYS A 54 9.083 6.317 9.288 1.00 2.71 O ATOM 897 CB CYS A 54 8.619 8.486 7.809 1.00 1.90 C ATOM 898 SG CYS A 54 8.463 9.974 6.788 1.00 2.87 S ATOM 899 OXT CYS A 54 9.923 7.352 11.020 1.00 2.46 O ATOM 0 H CYS A 54 11.483 8.112 8.715 1.00 1.91 H new ATOM 0 HA CYS A 54 9.109 9.464 9.649 1.00 1.51 H new ATOM 0 HB2 CYS A 54 9.023 7.683 7.193 1.00 1.90 H new ATOM 0 HB3 CYS A 54 7.623 8.175 8.125 1.00 1.90 H new ATOM 0 HG CYS A 54 9.197 10.923 7.289 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 9.666 4.538 11.113 1.00 2.43 N ATOM 907 CA MET B 1 8.520 4.271 12.011 1.00 1.54 C ATOM 908 C MET B 1 7.469 5.375 11.885 1.00 1.28 C ATOM 909 O MET B 1 7.380 6.282 12.712 1.00 1.95 O ATOM 910 CB MET B 1 8.991 4.113 13.465 1.00 1.98 C ATOM 911 CG MET B 1 9.833 5.268 13.983 1.00 2.66 C ATOM 912 SD MET B 1 10.377 5.017 15.685 1.00 3.87 S ATOM 913 CE MET B 1 11.356 3.527 15.510 1.00 4.74 C ATOM 0 H1 MET B 1 10.345 3.753 11.174 1.00 2.43 H new ATOM 0 H2 MET B 1 9.327 4.627 10.134 1.00 2.43 H new ATOM 0 H3 MET B 1 10.132 5.422 11.399 1.00 2.43 H new ATOM 0 HA MET B 1 8.057 3.331 11.709 1.00 1.54 H new ATOM 0 HB2 MET B 1 8.117 4.000 14.107 1.00 1.98 H new ATOM 0 HB3 MET B 1 9.569 3.192 13.549 1.00 1.98 H new ATOM 0 HG2 MET B 1 10.705 5.394 13.341 1.00 2.66 H new ATOM 0 HG3 MET B 1 9.256 6.191 13.922 1.00 2.66 H new ATOM 0 HE1 MET B 1 12.060 3.455 16.339 1.00 4.74 H new ATOM 0 HE2 MET B 1 10.699 2.657 15.515 1.00 4.74 H new ATOM 0 HE3 MET B 1 11.905 3.561 14.569 1.00 4.74 H new ATOM 925 N LYS B 2 6.678 5.283 10.824 1.00 0.96 N ATOM 926 CA LYS B 2 5.665 6.284 10.503 1.00 0.62 C ATOM 927 C LYS B 2 4.430 6.187 11.392 1.00 0.56 C ATOM 928 O LYS B 2 4.475 5.643 12.497 1.00 0.73 O ATOM 929 CB LYS B 2 5.226 6.104 9.058 1.00 0.60 C ATOM 930 CG LYS B 2 6.364 6.198 8.078 1.00 0.66 C ATOM 931 CD LYS B 2 5.873 6.658 6.716 1.00 0.87 C ATOM 932 CE LYS B 2 6.232 5.665 5.626 1.00 1.74 C ATOM 933 NZ LYS B 2 5.565 5.986 4.335 1.00 2.31 N ATOM 0 H LYS B 2 6.720 4.511 10.159 1.00 0.96 H new ATOM 0 HA LYS B 2 6.120 7.260 10.669 1.00 0.62 H new ATOM 0 HB2 LYS B 2 4.741 5.134 8.950 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.481 6.861 8.814 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.114 6.894 8.452 1.00 0.66 H new ATOM 0 HG3 LYS B 2 6.849 5.226 7.985 1.00 0.66 H new ATOM 0 HD2 LYS B 2 4.792 6.792 6.745 1.00 0.87 H new ATOM 0 HD3 LYS B 2 6.308 7.629 6.481 1.00 0.87 H new ATOM 0 HE2 LYS B 2 7.313 5.659 5.484 1.00 1.74 H new ATOM 0 HE3 LYS B 2 5.946 4.662 5.942 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 5.727 5.213 3.659 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 4.543 6.101 4.491 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 5.958 6.869 3.952 1.00 2.31 H new ATOM 947 N SER B 3 3.326 6.734 10.875 1.00 0.42 N ATOM 948 CA SER B 3 2.020 6.632 11.507 1.00 0.40 C ATOM 949 C SER B 3 1.734 5.201 11.930 1.00 0.37 C ATOM 950 O SER B 3 1.495 4.918 13.103 1.00 0.50 O ATOM 951 CB SER B 3 0.944 7.093 10.532 1.00 0.39 C ATOM 952 OG SER B 3 1.128 8.444 10.177 1.00 1.00 O ATOM 0 H SER B 3 3.320 7.261 10.002 1.00 0.42 H new ATOM 0 HA SER B 3 2.016 7.266 12.394 1.00 0.40 H new ATOM 0 HB2 SER B 3 0.969 6.472 9.637 1.00 0.39 H new ATOM 0 HB3 SER B 3 -0.040 6.963 10.983 1.00 0.39 H new ATOM 0 HG SER B 3 1.851 8.514 9.519 1.00 1.00 H new ATOM 958 N ILE B 4 1.763 4.304 10.960 1.00 0.27 N ATOM 959 CA ILE B 4 1.629 2.893 11.240 1.00 0.24 C ATOM 960 C ILE B 4 2.994 2.379 11.663 1.00 0.26 C ATOM 961 O ILE B 4 3.121 1.518 12.532 1.00 0.32 O ATOM 962 CB ILE B 4 1.136 2.104 10.008 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.097 2.916 9.223 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.544 0.775 10.451 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.410 2.216 7.981 1.00 0.23 C ATOM 0 H ILE B 4 1.878 4.532 9.972 1.00 0.27 H new ATOM 0 HA ILE B 4 0.888 2.753 12.027 1.00 0.24 H new ATOM 0 HB ILE B 4 1.985 1.915 9.351 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.748 3.136 9.876 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.536 3.872 8.937 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.198 0.222 9.578 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.305 0.193 10.971 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.295 0.956 11.122 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -1.141 2.850 7.479 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.424 2.020 7.308 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.880 1.273 8.261 1.00 0.23 H new ATOM 977 N GLY B 5 4.016 2.952 11.033 1.00 0.27 N ATOM 978 CA GLY B 5 5.391 2.665 11.385 1.00 0.32 C ATOM 979 C GLY B 5 5.781 1.251 11.061 1.00 0.31 C ATOM 980 O GLY B 5 6.646 0.668 11.715 1.00 0.43 O ATOM 0 H GLY B 5 3.909 3.622 10.271 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.050 3.352 10.854 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.536 2.844 12.450 1.00 0.32 H new ATOM 984 N VAL B 6 5.141 0.696 10.055 1.00 0.20 N ATOM 985 CA VAL B 6 5.399 -0.677 9.681 1.00 0.16 C ATOM 986 C VAL B 6 5.932 -0.753 8.260 1.00 0.12 C ATOM 987 O VAL B 6 5.405 -0.115 7.344 1.00 0.13 O ATOM 988 CB VAL B 6 4.141 -1.566 9.820 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.694 -1.642 11.270 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.010 -1.056 8.944 1.00 0.22 C ATOM 0 H VAL B 6 4.442 1.171 9.484 1.00 0.20 H new ATOM 0 HA VAL B 6 6.152 -1.058 10.370 1.00 0.16 H new ATOM 0 HB VAL B 6 4.404 -2.569 9.485 1.00 0.19 H new ATOM 0 HG11 VAL B 6 2.808 -2.272 11.345 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.494 -2.068 11.876 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.459 -0.641 11.631 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.139 -1.701 9.062 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.752 -0.039 9.239 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.327 -1.062 7.901 1.00 0.22 H new ATOM 1000 N VAL B 7 7.002 -1.507 8.100 1.00 0.12 N ATOM 1001 CA VAL B 7 7.576 -1.754 6.798 1.00 0.12 C ATOM 1002 C VAL B 7 7.323 -3.204 6.406 1.00 0.12 C ATOM 1003 O VAL B 7 7.233 -4.081 7.265 1.00 0.15 O ATOM 1004 CB VAL B 7 9.094 -1.436 6.782 1.00 0.13 C ATOM 1005 CG1 VAL B 7 9.873 -2.385 7.678 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.640 -1.454 5.364 1.00 0.15 C ATOM 0 H VAL B 7 7.494 -1.963 8.868 1.00 0.12 H new ATOM 0 HA VAL B 7 7.101 -1.094 6.072 1.00 0.12 H new ATOM 0 HB VAL B 7 9.222 -0.430 7.181 1.00 0.13 H new ATOM 0 HG11 VAL B 7 10.933 -2.132 7.642 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.513 -2.295 8.703 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.732 -3.409 7.333 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.706 -1.228 5.382 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.485 -2.441 4.927 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.121 -0.706 4.765 1.00 0.15 H new ATOM 1016 N ARG B 8 7.149 -3.436 5.121 1.00 0.12 N ATOM 1017 CA ARG B 8 6.875 -4.767 4.601 1.00 0.13 C ATOM 1018 C ARG B 8 7.952 -5.183 3.626 1.00 0.13 C ATOM 1019 O ARG B 8 8.760 -4.363 3.193 1.00 0.16 O ATOM 1020 CB ARG B 8 5.512 -4.806 3.900 1.00 0.15 C ATOM 1021 CG ARG B 8 4.376 -5.326 4.766 1.00 0.30 C ATOM 1022 CD ARG B 8 4.348 -4.627 6.115 1.00 0.18 C ATOM 1023 NE ARG B 8 3.208 -5.024 6.935 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.243 -5.098 8.264 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.382 -4.874 8.911 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.145 -5.416 8.942 1.00 1.09 N ATOM 0 H ARG B 8 7.193 -2.710 4.405 1.00 0.12 H new ATOM 0 HA ARG B 8 6.861 -5.460 5.442 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.263 -3.801 3.560 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.592 -5.432 3.012 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.426 -5.173 4.254 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.489 -6.400 4.912 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.270 -4.848 6.652 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.320 -3.549 5.960 1.00 0.18 H new ATOM 0 HE ARG B 8 2.335 -5.258 6.463 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.228 -4.646 8.390 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.410 -4.930 9.929 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.275 -5.604 8.444 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.173 -5.472 9.960 1.00 1.09 H new ATOM 1040 N LYS B 9 7.961 -6.456 3.294 1.00 0.13 N ATOM 1041 CA LYS B 9 8.874 -6.986 2.301 1.00 0.14 C ATOM 1042 C LYS B 9 8.065 -7.571 1.160 1.00 0.17 C ATOM 1043 O LYS B 9 7.218 -8.438 1.388 1.00 0.21 O ATOM 1044 CB LYS B 9 9.778 -8.062 2.920 1.00 0.19 C ATOM 1045 CG LYS B 9 10.550 -7.585 4.145 1.00 0.54 C ATOM 1046 CD LYS B 9 11.268 -6.270 3.881 1.00 0.26 C ATOM 1047 CE LYS B 9 12.121 -5.831 5.060 1.00 0.79 C ATOM 1048 NZ LYS B 9 11.360 -5.817 6.335 1.00 1.16 N ATOM 0 H LYS B 9 7.338 -7.152 3.703 1.00 0.13 H new ATOM 0 HA LYS B 9 9.513 -6.185 1.928 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.167 -8.921 3.198 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.487 -8.406 2.166 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.864 -7.463 4.983 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.276 -8.344 4.436 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.899 -6.374 2.998 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.533 -5.496 3.659 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.975 -6.502 5.157 1.00 0.79 H new ATOM 0 HE3 LYS B 9 12.519 -4.835 4.866 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 11.914 -5.324 7.064 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 10.456 -5.323 6.194 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 11.177 -6.794 6.641 1.00 1.16 H new ATOM 1062 N VAL B 10 8.299 -7.076 -0.051 1.00 0.16 N ATOM 1063 CA VAL B 10 7.614 -7.594 -1.223 1.00 0.18 C ATOM 1064 C VAL B 10 7.853 -9.090 -1.323 1.00 0.20 C ATOM 1065 O VAL B 10 8.963 -9.564 -1.119 1.00 0.25 O ATOM 1066 CB VAL B 10 8.061 -6.873 -2.528 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.794 -7.725 -3.755 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.339 -5.547 -2.673 1.00 0.16 C ATOM 0 H VAL B 10 8.956 -6.320 -0.243 1.00 0.16 H new ATOM 0 HA VAL B 10 6.547 -7.401 -1.109 1.00 0.18 H new ATOM 0 HB VAL B 10 9.135 -6.701 -2.453 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.119 -7.190 -4.647 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.344 -8.662 -3.674 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.727 -7.936 -3.826 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.662 -5.055 -3.590 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.264 -5.721 -2.714 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.571 -4.911 -1.819 1.00 0.16 H new ATOM 1078 N ASP B 11 6.787 -9.825 -1.561 1.00 0.18 N ATOM 1079 CA ASP B 11 6.847 -11.274 -1.686 1.00 0.20 C ATOM 1080 C ASP B 11 7.827 -11.661 -2.785 1.00 0.23 C ATOM 1081 O ASP B 11 8.967 -12.021 -2.511 1.00 0.26 O ATOM 1082 CB ASP B 11 5.446 -11.817 -1.982 1.00 0.23 C ATOM 1083 CG ASP B 11 5.394 -13.321 -2.123 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.589 -14.026 -1.118 1.00 1.14 O ATOM 1085 OD2 ASP B 11 5.121 -13.801 -3.239 1.00 1.22 O ATOM 0 H ASP B 11 5.850 -9.438 -1.674 1.00 0.18 H new ATOM 0 HA ASP B 11 7.199 -11.710 -0.751 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.772 -11.513 -1.182 1.00 0.23 H new ATOM 0 HB3 ASP B 11 5.076 -11.362 -2.901 1.00 0.23 H new ATOM 1090 N GLU B 12 7.373 -11.559 -4.021 1.00 0.24 N ATOM 1091 CA GLU B 12 8.223 -11.743 -5.193 1.00 0.28 C ATOM 1092 C GLU B 12 7.635 -10.937 -6.331 1.00 0.27 C ATOM 1093 O GLU B 12 8.337 -10.287 -7.097 1.00 0.34 O ATOM 1094 CB GLU B 12 8.293 -13.220 -5.608 1.00 0.35 C ATOM 1095 CG GLU B 12 8.812 -14.146 -4.525 1.00 0.40 C ATOM 1096 CD GLU B 12 8.872 -15.589 -4.969 1.00 0.48 C ATOM 1097 OE1 GLU B 12 9.760 -15.929 -5.776 1.00 1.22 O ATOM 1098 OE2 GLU B 12 8.040 -16.396 -4.509 1.00 1.17 O ATOM 0 H GLU B 12 6.401 -11.346 -4.246 1.00 0.24 H new ATOM 0 HA GLU B 12 9.234 -11.412 -4.954 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.298 -13.550 -5.906 1.00 0.35 H new ATOM 0 HB3 GLU B 12 8.934 -13.309 -6.485 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.808 -13.822 -4.222 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.171 -14.067 -3.647 1.00 0.40 H new ATOM 1105 N LEU B 13 6.317 -10.986 -6.401 1.00 0.26 N ATOM 1106 CA LEU B 13 5.558 -10.317 -7.439 1.00 0.26 C ATOM 1107 C LEU B 13 5.197 -8.899 -7.007 1.00 0.25 C ATOM 1108 O LEU B 13 4.810 -8.066 -7.822 1.00 0.39 O ATOM 1109 CB LEU B 13 4.283 -11.119 -7.725 1.00 0.32 C ATOM 1110 CG LEU B 13 4.428 -12.641 -7.611 1.00 0.32 C ATOM 1111 CD1 LEU B 13 4.197 -13.095 -6.177 1.00 0.90 C ATOM 1112 CD2 LEU B 13 3.473 -13.357 -8.545 1.00 0.79 C ATOM 0 H LEU B 13 5.739 -11.496 -5.733 1.00 0.26 H new ATOM 0 HA LEU B 13 6.164 -10.256 -8.343 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.505 -10.792 -7.035 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.939 -10.877 -8.731 1.00 0.32 H new ATOM 0 HG LEU B 13 5.446 -12.899 -7.903 1.00 0.32 H new ATOM 0 HD11 LEU B 13 4.304 -14.178 -6.116 1.00 0.90 H new ATOM 0 HD12 LEU B 13 4.929 -12.621 -5.523 1.00 0.90 H new ATOM 0 HD13 LEU B 13 3.192 -12.812 -5.863 1.00 0.90 H new ATOM 0 HD21 LEU B 13 3.601 -14.434 -8.440 1.00 0.79 H new ATOM 0 HD22 LEU B 13 2.447 -13.087 -8.294 1.00 0.79 H new ATOM 0 HD23 LEU B 13 3.683 -13.065 -9.574 1.00 0.79 H new ATOM 1124 N GLY B 14 5.337 -8.637 -5.713 1.00 0.15 N ATOM 1125 CA GLY B 14 4.984 -7.341 -5.165 1.00 0.13 C ATOM 1126 C GLY B 14 3.978 -7.458 -4.038 1.00 0.11 C ATOM 1127 O GLY B 14 3.635 -6.471 -3.398 1.00 0.12 O ATOM 0 H GLY B 14 5.692 -9.305 -5.029 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.883 -6.845 -4.799 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.572 -6.713 -5.955 1.00 0.13 H new ATOM 1131 N ARG B 15 3.511 -8.676 -3.797 1.00 0.11 N ATOM 1132 CA ARG B 15 2.550 -8.936 -2.728 1.00 0.11 C ATOM 1133 C ARG B 15 3.158 -8.621 -1.362 1.00 0.09 C ATOM 1134 O ARG B 15 4.272 -9.042 -1.071 1.00 0.12 O ATOM 1135 CB ARG B 15 2.119 -10.409 -2.740 1.00 0.14 C ATOM 1136 CG ARG B 15 1.527 -10.888 -4.057 1.00 0.17 C ATOM 1137 CD ARG B 15 0.962 -12.296 -3.930 1.00 0.29 C ATOM 1138 NE ARG B 15 1.993 -13.268 -3.571 1.00 1.30 N ATOM 1139 CZ ARG B 15 1.783 -14.329 -2.794 1.00 1.93 C ATOM 1140 NH1 ARG B 15 0.582 -14.560 -2.273 1.00 1.94 N ATOM 1141 NH2 ARG B 15 2.787 -15.156 -2.532 1.00 2.91 N ATOM 0 H ARG B 15 3.782 -9.503 -4.328 1.00 0.11 H new ATOM 0 HA ARG B 15 1.686 -8.294 -2.900 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.983 -11.028 -2.499 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.385 -10.565 -1.949 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.739 -10.205 -4.374 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.294 -10.870 -4.831 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.176 -12.305 -3.175 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.501 -12.588 -4.873 1.00 0.29 H new ATOM 0 HE ARG B 15 2.933 -13.124 -3.939 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -0.189 -13.922 -2.467 1.00 1.94 H new ATOM 0 HH12 ARG B 15 0.432 -15.376 -1.679 1.00 1.94 H new ATOM 0 HH21 ARG B 15 3.711 -14.977 -2.925 1.00 2.91 H new ATOM 0 HH22 ARG B 15 2.635 -15.971 -1.938 1.00 2.91 H new ATOM 1155 N ILE B 16 2.433 -7.878 -0.534 1.00 0.09 N ATOM 1156 CA ILE B 16 2.868 -7.610 0.838 1.00 0.09 C ATOM 1157 C ILE B 16 1.647 -7.624 1.756 1.00 0.09 C ATOM 1158 O ILE B 16 0.524 -7.832 1.299 1.00 0.11 O ATOM 1159 CB ILE B 16 3.628 -6.257 0.993 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.658 -5.098 1.228 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.517 -5.976 -0.211 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.296 -3.730 1.104 1.00 0.14 C ATOM 0 H ILE B 16 1.542 -7.449 -0.785 1.00 0.09 H new ATOM 0 HA ILE B 16 3.574 -8.393 1.113 1.00 0.09 H new ATOM 0 HB ILE B 16 4.269 -6.346 1.870 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.838 -5.172 0.513 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.223 -5.197 2.223 1.00 0.11 H new ATOM 0 HG21 ILE B 16 5.032 -5.026 -0.069 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.252 -6.774 -0.315 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.905 -5.927 -1.112 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.545 -2.961 1.284 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.097 -3.634 1.837 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.706 -3.609 0.101 1.00 0.14 H new ATOM 1174 N VAL B 17 1.853 -7.400 3.040 1.00 0.09 N ATOM 1175 CA VAL B 17 0.752 -7.420 3.989 1.00 0.10 C ATOM 1176 C VAL B 17 0.426 -6.011 4.468 1.00 0.11 C ATOM 1177 O VAL B 17 1.203 -5.393 5.198 1.00 0.16 O ATOM 1178 CB VAL B 17 1.035 -8.353 5.196 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.437 -8.135 5.753 1.00 0.18 C ATOM 1180 CG2 VAL B 17 -0.012 -8.160 6.286 1.00 0.19 C ATOM 0 H VAL B 17 2.766 -7.203 3.450 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.114 -7.823 3.464 1.00 0.10 H new ATOM 0 HB VAL B 17 0.976 -9.381 4.839 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.601 -8.805 6.597 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.173 -8.342 4.977 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.540 -7.102 6.084 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.207 -8.824 7.122 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.007 -7.126 6.630 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -1.000 -8.392 5.887 1.00 0.19 H new ATOM 1190 N MET B 18 -0.710 -5.494 4.035 1.00 0.10 N ATOM 1191 CA MET B 18 -1.155 -4.187 4.493 1.00 0.11 C ATOM 1192 C MET B 18 -1.810 -4.345 5.855 1.00 0.10 C ATOM 1193 O MET B 18 -2.336 -5.413 6.169 1.00 0.15 O ATOM 1194 CB MET B 18 -2.128 -3.537 3.500 1.00 0.18 C ATOM 1195 CG MET B 18 -1.597 -3.459 2.077 1.00 0.29 C ATOM 1196 SD MET B 18 0.091 -2.827 1.987 1.00 0.94 S ATOM 1197 CE MET B 18 -0.123 -1.131 2.511 1.00 0.54 C ATOM 0 H MET B 18 -1.337 -5.952 3.374 1.00 0.10 H new ATOM 0 HA MET B 18 -0.290 -3.528 4.568 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.061 -4.101 3.499 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.365 -2.530 3.845 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.632 -4.451 1.627 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.251 -2.818 1.486 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.649 -0.510 2.057 1.00 0.54 H new ATOM 0 HE2 MET B 18 -1.105 -0.775 2.199 1.00 0.54 H new ATOM 0 HE3 MET B 18 -0.044 -1.073 3.597 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.782 -3.306 6.694 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.235 -3.426 8.065 1.00 0.13 C ATOM 1209 C PRO B 19 -3.744 -3.285 8.223 1.00 0.13 C ATOM 1210 O PRO B 19 -4.441 -2.703 7.377 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.505 -2.290 8.781 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.179 -1.280 7.731 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.317 -1.945 6.382 1.00 0.19 C ATOM 0 HA PRO B 19 -2.020 -4.416 8.468 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.131 -1.854 9.560 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.599 -2.654 9.266 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.850 -0.424 7.804 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.166 -0.902 7.867 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.030 -1.416 5.749 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.367 -1.962 5.848 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.247 -3.820 9.326 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.637 -3.631 9.695 1.00 0.16 C ATOM 1223 C ILE B 20 -5.922 -2.143 9.837 1.00 0.16 C ATOM 1224 O ILE B 20 -7.022 -1.684 9.574 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.987 -4.368 11.007 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.394 -3.995 11.485 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.952 -4.064 12.079 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.492 -4.446 10.552 1.00 0.22 C ATOM 0 H ILE B 20 -3.710 -4.389 9.980 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.260 -4.055 8.908 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.974 -5.440 10.812 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.562 -4.434 12.468 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.453 -2.913 11.604 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.213 -4.591 12.997 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.969 -4.392 11.740 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.930 -2.991 12.270 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.459 -4.147 10.956 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.350 -3.987 9.574 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.461 -5.531 10.451 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.897 -1.393 10.214 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.988 0.056 10.319 1.00 0.16 C ATOM 1242 C GLU B 21 -5.336 0.677 8.969 1.00 0.16 C ATOM 1243 O GLU B 21 -5.962 1.723 8.911 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.660 0.603 10.831 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.146 -0.148 12.048 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.059 -0.012 13.248 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -3.975 1.017 13.946 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -4.868 -0.938 13.495 1.00 1.06 O ATOM 0 H GLU B 21 -3.981 -1.771 10.455 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.783 0.315 11.019 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.918 0.547 10.035 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.779 1.657 11.083 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.036 -1.203 11.799 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.155 0.224 12.307 1.00 0.23 H new ATOM 1255 N LEU B 22 -4.952 0.004 7.887 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.288 0.450 6.543 1.00 0.15 C ATOM 1257 C LEU B 22 -6.737 0.105 6.264 1.00 0.15 C ATOM 1258 O LEU B 22 -7.489 0.887 5.687 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.348 -0.205 5.513 1.00 0.15 C ATOM 1260 CG LEU B 22 -4.911 -0.393 4.097 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -3.799 -0.291 3.069 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.600 -1.747 3.974 1.00 0.18 C ATOM 0 H LEU B 22 -4.405 -0.856 7.919 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.158 1.529 6.463 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.443 0.399 5.443 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.050 -1.182 5.895 1.00 0.15 H new ATOM 0 HG LEU B 22 -5.641 0.395 3.912 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.213 -0.426 2.070 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -3.329 0.690 3.137 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.054 -1.064 3.261 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -5.994 -1.865 2.964 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.881 -2.541 4.178 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.418 -1.805 4.692 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.110 -1.086 6.695 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.490 -1.548 6.591 1.00 0.15 C ATOM 1276 C ARG B 23 -9.423 -0.665 7.414 1.00 0.19 C ATOM 1277 O ARG B 23 -10.582 -0.459 7.056 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.582 -3.005 7.049 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.712 -3.938 6.226 1.00 0.16 C ATOM 1280 CD ARG B 23 -7.514 -5.292 6.892 1.00 0.35 C ATOM 1281 NE ARG B 23 -8.775 -5.916 7.295 1.00 0.64 N ATOM 1282 CZ ARG B 23 -8.852 -6.982 8.098 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -7.749 -7.548 8.570 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -10.032 -7.491 8.419 1.00 1.30 N ATOM 0 H ARG B 23 -6.474 -1.758 7.124 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.804 -1.483 5.549 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.287 -3.071 8.096 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.619 -3.335 6.988 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -8.166 -4.082 5.246 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.740 -3.472 6.062 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -6.989 -5.956 6.206 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -6.877 -5.171 7.768 1.00 0.35 H new ATOM 0 HE ARG B 23 -9.644 -5.515 6.943 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -6.835 -7.170 8.321 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -7.815 -8.361 9.182 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -10.886 -7.070 8.053 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -10.087 -8.304 9.032 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.888 -0.133 8.499 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.626 0.752 9.384 1.00 0.20 C ATOM 1300 C ARG B 24 -9.635 2.156 8.810 1.00 0.22 C ATOM 1301 O ARG B 24 -10.611 2.894 8.941 1.00 0.26 O ATOM 1302 CB ARG B 24 -8.968 0.759 10.769 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.089 -0.561 11.513 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.237 -0.581 12.776 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.729 0.342 13.797 1.00 0.41 N ATOM 1306 CZ ARG B 24 -7.992 0.812 14.805 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.708 0.494 14.910 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.547 1.613 15.706 1.00 0.87 N ATOM 0 H ARG B 24 -7.926 -0.303 8.792 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.653 0.398 9.477 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.912 1.007 10.658 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.419 1.547 11.371 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.132 -0.735 11.776 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.785 -1.377 10.857 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.220 -1.592 13.183 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.209 -0.322 12.521 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.700 0.647 13.735 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.275 -0.115 14.216 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.154 0.859 15.685 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.532 1.866 15.626 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -7.989 1.975 16.479 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.536 2.493 8.154 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.329 3.812 7.580 1.00 0.22 C ATOM 1324 C ALA B 25 -9.250 4.054 6.407 1.00 0.26 C ATOM 1325 O ALA B 25 -9.999 5.028 6.367 1.00 0.28 O ATOM 1326 CB ALA B 25 -6.899 3.909 7.087 1.00 0.23 C ATOM 0 H ALA B 25 -7.756 1.853 8.004 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.537 4.556 8.349 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.730 4.895 6.653 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.215 3.758 7.922 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -6.722 3.145 6.330 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.203 3.132 5.466 1.00 0.28 N ATOM 1333 CA LEU B 26 -9.891 3.304 4.209 1.00 0.37 C ATOM 1334 C LEU B 26 -11.359 2.933 4.334 1.00 0.41 C ATOM 1335 O LEU B 26 -12.213 3.801 4.518 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.226 2.464 3.122 1.00 0.35 C ATOM 1337 CG LEU B 26 -7.788 2.848 2.771 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.143 1.768 1.918 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -7.760 4.179 2.037 1.00 0.52 C ATOM 0 H LEU B 26 -8.692 2.253 5.552 1.00 0.28 H new ATOM 0 HA LEU B 26 -9.829 4.356 3.931 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.237 1.421 3.438 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -9.831 2.530 2.218 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.222 2.946 3.697 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.120 2.057 1.677 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.134 0.827 2.468 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -7.712 1.644 0.996 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -6.730 4.439 1.794 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -8.341 4.100 1.118 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -8.189 4.954 2.672 1.00 0.52 H new ATOM 1351 N ASP B 27 -11.630 1.635 4.256 1.00 0.34 N ATOM 1352 CA ASP B 27 -12.994 1.114 4.214 1.00 0.42 C ATOM 1353 C ASP B 27 -12.940 -0.380 3.898 1.00 0.41 C ATOM 1354 O ASP B 27 -13.618 -0.862 2.995 1.00 0.76 O ATOM 1355 CB ASP B 27 -13.803 1.863 3.135 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.284 1.534 3.129 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -15.943 1.690 4.174 1.00 1.34 O ATOM 1358 OD2 ASP B 27 -15.797 1.133 2.063 1.00 1.54 O ATOM 0 H ASP B 27 -10.911 0.913 4.220 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.482 1.263 5.177 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -13.681 2.936 3.285 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.386 1.628 2.156 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.097 -1.111 4.626 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.857 -2.522 4.322 1.00 0.18 C ATOM 1365 C ILE B 28 -12.333 -3.394 5.463 1.00 0.23 C ATOM 1366 O ILE B 28 -12.051 -3.123 6.632 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.361 -2.856 4.039 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.843 -2.153 2.780 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.180 -4.360 3.884 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -9.898 -0.662 2.856 1.00 0.17 C ATOM 0 H ILE B 28 -11.572 -0.754 5.424 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.419 -2.725 3.410 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.784 -2.495 4.890 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.813 -2.461 2.601 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.428 -2.486 1.923 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.131 -4.582 3.687 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.490 -4.860 4.801 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.789 -4.716 3.053 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.515 -0.236 1.929 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -10.930 -0.343 3.003 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.289 -0.318 3.692 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.043 -4.444 5.115 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.597 -5.339 6.097 1.00 0.28 C ATOM 1384 C ALA B 29 -12.797 -6.634 6.183 1.00 0.30 C ATOM 1385 O ALA B 29 -12.432 -7.075 7.271 1.00 0.41 O ATOM 1386 CB ALA B 29 -15.049 -5.601 5.760 1.00 0.29 C ATOM 0 H ALA B 29 -13.250 -4.698 4.149 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.539 -4.874 7.081 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.477 -6.278 6.499 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.600 -4.660 5.768 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.117 -6.053 4.771 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.522 -7.230 5.035 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.749 -8.467 4.976 1.00 0.27 C ATOM 1394 C ILE B 30 -11.027 -8.568 3.632 1.00 0.24 C ATOM 1395 O ILE B 30 -9.962 -9.165 3.531 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.660 -9.702 5.216 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.839 -10.993 5.401 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.672 -9.851 4.082 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.591 -11.782 4.130 1.00 0.34 C ATOM 0 H ILE B 30 -12.822 -6.878 4.126 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.002 -8.451 5.770 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.206 -9.534 6.145 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -10.877 -10.734 5.843 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.355 -11.635 6.115 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.301 -10.721 4.268 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.295 -8.958 4.030 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.144 -9.980 3.137 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.006 -12.672 4.362 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.545 -12.079 3.694 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.044 -11.163 3.419 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.624 -7.970 2.608 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.017 -7.884 1.288 1.00 0.19 C ATOM 1413 C LYS B 31 -11.264 -6.493 0.720 1.00 0.16 C ATOM 1414 O LYS B 31 -10.336 -5.796 0.313 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.604 -8.938 0.338 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.662 -10.337 0.933 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.894 -11.399 -0.127 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.670 -11.577 -1.013 1.00 0.47 C ATOM 1419 NZ LYS B 31 -9.455 -11.898 -0.225 1.00 1.38 N ATOM 0 H LYS B 31 -12.543 -7.531 2.671 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.947 -8.071 1.382 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.610 -8.634 0.050 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.006 -8.965 -0.573 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.730 -10.546 1.457 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.461 -10.383 1.673 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -12.138 -12.347 0.353 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.751 -11.122 -0.740 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.856 -12.374 -1.733 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -10.501 -10.665 -1.585 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -8.904 -12.629 -0.719 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -8.875 -11.042 -0.117 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -9.733 -12.249 0.714 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.531 -6.102 0.753 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.009 -4.826 0.225 1.00 0.15 C ATOM 1435 C ASP B 32 -12.295 -4.369 -1.045 1.00 0.15 C ATOM 1436 O ASP B 32 -12.521 -4.945 -2.101 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.992 -3.763 1.313 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.389 -3.556 1.854 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.253 -3.044 1.112 1.00 1.17 O ATOM 1440 OD2 ASP B 32 -14.643 -3.950 3.002 1.00 1.05 O ATOM 0 H ASP B 32 -13.273 -6.674 1.156 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.041 -4.986 -0.088 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.322 -4.065 2.118 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.606 -2.826 0.912 1.00 0.15 H new ATOM 1445 N SER B 33 -11.452 -3.335 -0.951 1.00 0.14 N ATOM 1446 CA SER B 33 -10.769 -2.772 -2.129 1.00 0.14 C ATOM 1447 C SER B 33 -9.656 -1.813 -1.701 1.00 0.13 C ATOM 1448 O SER B 33 -9.825 -1.063 -0.743 1.00 0.15 O ATOM 1449 CB SER B 33 -11.747 -1.975 -3.002 1.00 0.18 C ATOM 1450 OG SER B 33 -12.880 -2.734 -3.381 1.00 0.24 O ATOM 0 H SER B 33 -11.224 -2.869 -0.073 1.00 0.14 H new ATOM 0 HA SER B 33 -10.358 -3.612 -2.690 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.073 -1.088 -2.459 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.230 -1.629 -3.897 1.00 0.18 H new ATOM 0 HG SER B 33 -12.687 -3.688 -3.269 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.529 -1.835 -2.406 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.480 -0.829 -2.216 1.00 0.13 C ATOM 1458 C ILE B 34 -6.816 -0.502 -3.549 1.00 0.13 C ATOM 1459 O ILE B 34 -6.067 -1.315 -4.079 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.359 -1.263 -1.233 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.917 -1.786 0.089 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.425 -0.097 -0.968 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.210 -3.264 0.065 1.00 0.18 C ATOM 0 H ILE B 34 -8.315 -2.537 -3.115 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.988 0.036 -1.789 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.813 -2.080 -1.705 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.203 -1.576 0.886 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.832 -1.244 0.330 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.641 -0.408 -0.278 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.975 0.229 -1.906 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.988 0.728 -0.530 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.604 -3.573 1.033 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -7.946 -3.476 -0.710 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.292 -3.813 -0.146 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.096 0.670 -4.101 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.453 1.090 -5.338 1.00 0.14 C ATOM 1477 C GLU B 35 -5.292 2.023 -5.026 1.00 0.15 C ATOM 1478 O GLU B 35 -5.381 2.846 -4.108 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.447 1.775 -6.281 1.00 0.19 C ATOM 1480 CG GLU B 35 -6.844 2.091 -7.641 1.00 0.28 C ATOM 1481 CD GLU B 35 -7.843 2.610 -8.651 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -9.058 2.389 -8.471 1.00 1.12 O ATOM 1483 OE2 GLU B 35 -7.409 3.225 -9.645 1.00 1.33 O ATOM 0 H GLU B 35 -7.759 1.343 -3.716 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.076 0.201 -5.844 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.317 1.132 -6.414 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -7.800 2.698 -5.821 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.054 2.831 -7.514 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.376 1.190 -8.038 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.201 1.905 -5.775 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.010 2.703 -5.477 1.00 0.17 C ATOM 1492 C PHE B 36 -2.678 3.711 -6.578 1.00 0.22 C ATOM 1493 O PHE B 36 -3.044 3.551 -7.743 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.784 1.826 -5.197 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.067 0.355 -5.140 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.721 -0.195 -4.049 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.663 -0.482 -6.164 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -2.967 -1.550 -3.986 1.00 1.21 C ATOM 1499 CE2 PHE B 36 -1.909 -1.838 -6.105 1.00 1.27 C ATOM 1500 CZ PHE B 36 -2.560 -2.372 -5.015 1.00 0.43 C ATOM 0 H PHE B 36 -4.113 1.280 -6.576 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.258 3.261 -4.574 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.039 2.009 -5.971 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.342 2.134 -4.249 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.041 0.444 -3.240 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.149 -0.069 -7.020 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.478 -1.967 -3.131 1.00 1.21 H new ATOM 0 HE2 PHE B 36 -1.591 -2.480 -6.913 1.00 1.27 H new ATOM 0 HZ PHE B 36 -2.751 -3.434 -4.967 1.00 0.43 H new ATOM 1510 N PHE B 37 -1.979 4.752 -6.155 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.566 5.873 -6.991 1.00 0.30 C ATOM 1512 C PHE B 37 -0.072 6.028 -6.806 1.00 0.25 C ATOM 1513 O PHE B 37 0.449 5.651 -5.768 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.319 7.128 -6.508 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.117 8.393 -7.301 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -0.994 9.185 -7.109 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -3.076 8.812 -8.210 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -0.832 10.366 -7.809 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -2.916 9.989 -8.916 1.00 1.64 C ATOM 1520 CZ PHE B 37 -1.792 10.767 -8.716 1.00 1.80 C ATOM 0 H PHE B 37 -1.672 4.845 -5.187 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.791 5.718 -8.046 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.385 6.901 -6.498 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.025 7.324 -5.477 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.237 8.875 -6.404 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -3.959 8.211 -8.368 1.00 1.24 H new ATOM 0 HE1 PHE B 37 0.045 10.975 -7.646 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -3.670 10.301 -9.624 1.00 1.64 H new ATOM 0 HZ PHE B 37 -1.665 11.687 -9.268 1.00 1.80 H new ATOM 1530 N VAL B 38 0.626 6.522 -7.795 1.00 0.24 N ATOM 1531 CA VAL B 38 2.054 6.723 -7.636 1.00 0.19 C ATOM 1532 C VAL B 38 2.408 8.192 -7.794 1.00 0.20 C ATOM 1533 O VAL B 38 1.932 8.872 -8.702 1.00 0.24 O ATOM 1534 CB VAL B 38 2.895 5.849 -8.596 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.467 6.037 -10.042 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.375 6.163 -8.437 1.00 0.25 C ATOM 0 H VAL B 38 0.246 6.790 -8.703 1.00 0.24 H new ATOM 0 HA VAL B 38 2.306 6.404 -6.625 1.00 0.19 H new ATOM 0 HB VAL B 38 2.723 4.806 -8.332 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.080 5.408 -10.688 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.419 5.757 -10.151 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.595 7.081 -10.326 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.954 5.540 -9.119 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.551 7.214 -8.667 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.682 5.960 -7.411 1.00 0.25 H new ATOM 1546 N ASP B 39 3.236 8.670 -6.889 1.00 0.20 N ATOM 1547 CA ASP B 39 3.607 10.073 -6.847 1.00 0.26 C ATOM 1548 C ASP B 39 5.114 10.204 -6.783 1.00 0.29 C ATOM 1549 O ASP B 39 5.708 10.094 -5.709 1.00 0.29 O ATOM 1550 CB ASP B 39 2.965 10.762 -5.638 1.00 0.31 C ATOM 1551 CG ASP B 39 3.469 12.176 -5.437 1.00 0.42 C ATOM 1552 OD1 ASP B 39 3.038 13.078 -6.186 1.00 1.17 O ATOM 1553 OD2 ASP B 39 4.300 12.391 -4.532 1.00 1.18 O ATOM 0 H ASP B 39 3.671 8.101 -6.163 1.00 0.20 H new ATOM 0 HA ASP B 39 3.245 10.559 -7.753 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.883 10.781 -5.768 1.00 0.31 H new ATOM 0 HB3 ASP B 39 3.168 10.177 -4.741 1.00 0.31 H new ATOM 1558 N GLY B 40 5.731 10.397 -7.940 1.00 0.35 N ATOM 1559 CA GLY B 40 7.172 10.501 -8.005 1.00 0.39 C ATOM 1560 C GLY B 40 7.840 9.171 -7.740 1.00 0.34 C ATOM 1561 O GLY B 40 8.209 8.453 -8.672 1.00 0.42 O ATOM 0 H GLY B 40 5.255 10.484 -8.838 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.467 10.867 -8.989 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.517 11.234 -7.276 1.00 0.39 H new ATOM 1565 N ASP B 41 7.986 8.843 -6.465 1.00 0.28 N ATOM 1566 CA ASP B 41 8.576 7.577 -6.062 1.00 0.28 C ATOM 1567 C ASP B 41 7.673 6.860 -5.068 1.00 0.23 C ATOM 1568 O ASP B 41 7.849 5.679 -4.810 1.00 0.29 O ATOM 1569 CB ASP B 41 9.954 7.787 -5.421 1.00 0.37 C ATOM 1570 CG ASP B 41 10.896 8.602 -6.283 1.00 1.17 C ATOM 1571 OD1 ASP B 41 11.306 8.119 -7.361 1.00 1.84 O ATOM 1572 OD2 ASP B 41 11.234 9.738 -5.885 1.00 1.91 O ATOM 0 H ASP B 41 7.702 9.440 -5.688 1.00 0.28 H new ATOM 0 HA ASP B 41 8.690 6.970 -6.960 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.828 8.286 -4.460 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.405 6.816 -5.219 1.00 0.37 H new ATOM 1577 N LYS B 42 6.689 7.569 -4.530 1.00 0.20 N ATOM 1578 CA LYS B 42 5.885 7.037 -3.442 1.00 0.21 C ATOM 1579 C LYS B 42 4.556 6.515 -3.966 1.00 0.16 C ATOM 1580 O LYS B 42 4.186 6.765 -5.115 1.00 0.14 O ATOM 1581 CB LYS B 42 5.647 8.097 -2.362 1.00 0.27 C ATOM 1582 CG LYS B 42 4.327 8.830 -2.515 1.00 0.33 C ATOM 1583 CD LYS B 42 4.050 9.741 -1.336 1.00 0.36 C ATOM 1584 CE LYS B 42 5.080 10.853 -1.238 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.651 12.093 -1.941 1.00 0.78 N ATOM 0 H LYS B 42 6.431 8.509 -4.829 1.00 0.20 H new ATOM 0 HA LYS B 42 6.436 6.210 -2.993 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.677 7.620 -1.383 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.461 8.821 -2.389 1.00 0.27 H new ATOM 0 HG2 LYS B 42 4.342 9.418 -3.433 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.518 8.106 -2.613 1.00 0.33 H new ATOM 0 HD2 LYS B 42 3.054 10.173 -1.435 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.054 9.158 -0.415 1.00 0.36 H new ATOM 0 HE2 LYS B 42 5.265 11.080 -0.188 1.00 0.63 H new ATOM 0 HE3 LYS B 42 6.024 10.508 -1.661 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 5.272 12.881 -1.665 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.712 11.948 -2.969 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.670 12.318 -1.680 1.00 0.78 H new ATOM 1599 N ILE B 43 3.839 5.805 -3.111 1.00 0.17 N ATOM 1600 CA ILE B 43 2.595 5.159 -3.509 1.00 0.16 C ATOM 1601 C ILE B 43 1.455 5.608 -2.589 1.00 0.18 C ATOM 1602 O ILE B 43 1.661 5.830 -1.396 1.00 0.21 O ATOM 1603 CB ILE B 43 2.724 3.615 -3.478 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.886 3.148 -4.366 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.423 2.957 -3.914 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.639 3.306 -5.854 1.00 0.22 C ATOM 0 H ILE B 43 4.096 5.660 -2.135 1.00 0.17 H new ATOM 0 HA ILE B 43 2.374 5.457 -4.534 1.00 0.16 H new ATOM 0 HB ILE B 43 2.934 3.314 -2.452 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.781 3.709 -4.097 1.00 0.18 H new ATOM 0 HG13 ILE B 43 4.091 2.099 -4.153 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.536 1.873 -3.885 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.620 3.257 -3.240 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.180 3.269 -4.930 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.509 2.952 -6.407 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.765 2.722 -6.142 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.465 4.357 -6.084 1.00 0.22 H new ATOM 1618 N ILE B 44 0.264 5.740 -3.153 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.886 6.287 -2.437 1.00 0.19 C ATOM 1620 C ILE B 44 -2.073 5.330 -2.499 1.00 0.20 C ATOM 1621 O ILE B 44 -2.627 5.085 -3.572 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.309 7.639 -3.042 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.104 8.578 -3.121 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.439 8.258 -2.229 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.420 9.942 -3.696 1.00 0.25 C ATOM 0 H ILE B 44 0.064 5.473 -4.117 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.588 6.426 -1.398 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.680 7.474 -4.054 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.311 8.704 -2.121 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.669 8.109 -3.730 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.725 9.212 -2.671 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.298 7.586 -2.229 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.104 8.419 -1.204 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.487 10.547 -3.718 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.805 9.829 -4.709 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.169 10.434 -3.076 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.475 4.804 -1.355 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.543 3.814 -1.308 1.00 0.19 C ATOM 1639 C LEU B 45 -4.867 4.428 -0.872 1.00 0.20 C ATOM 1640 O LEU B 45 -4.925 5.202 0.087 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.166 2.661 -0.377 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.312 1.559 -1.015 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -0.991 2.105 -1.526 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.066 0.435 -0.027 1.00 0.24 C ATOM 0 H LEU B 45 -2.080 5.044 -0.446 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.672 3.429 -2.319 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.626 3.067 0.478 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.081 2.212 0.008 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.866 1.166 -1.867 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.411 1.297 -1.972 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.180 2.872 -2.276 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.431 2.538 -0.697 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.458 -0.337 -0.498 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.543 0.826 0.846 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.020 0.008 0.283 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.925 4.073 -1.602 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.278 4.521 -1.299 1.00 0.24 C ATOM 1658 C LYS B 46 -8.268 3.439 -1.706 1.00 0.20 C ATOM 1659 O LYS B 46 -8.121 2.832 -2.764 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.615 5.821 -2.043 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.981 6.393 -1.681 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.359 7.579 -2.563 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.811 7.145 -3.953 1.00 1.14 C ATOM 1664 NZ LYS B 46 -11.119 6.430 -3.923 1.00 1.85 N ATOM 0 H LYS B 46 -5.864 3.466 -2.420 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.343 4.712 -0.228 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -6.849 6.565 -1.824 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.581 5.635 -3.116 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -9.737 5.614 -1.778 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -8.978 6.705 -0.637 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.158 8.145 -2.084 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -8.504 8.249 -2.654 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -9.893 8.021 -4.596 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.054 6.496 -4.393 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -11.427 6.229 -4.896 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -11.014 5.536 -3.401 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -11.829 7.025 -3.451 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.261 3.191 -0.867 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.325 2.257 -1.208 1.00 0.22 C ATOM 1680 C LYS B 47 -11.101 2.823 -2.400 1.00 0.25 C ATOM 1681 O LYS B 47 -11.179 4.042 -2.568 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.237 2.032 0.014 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.054 0.738 -0.009 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.289 0.845 -0.882 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.144 -0.405 -0.801 1.00 0.51 C ATOM 1686 NZ LYS B 47 -14.678 -0.625 0.566 1.00 0.43 N ATOM 0 H LYS B 47 -9.354 3.622 0.053 1.00 0.22 H new ATOM 0 HA LYS B 47 -9.912 1.287 -1.486 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.620 2.037 0.913 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -11.924 2.875 0.094 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.427 -0.077 -0.371 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.353 0.483 1.008 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -13.878 1.709 -0.575 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -12.990 1.015 -1.916 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -14.972 -0.324 -1.505 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.552 -1.269 -1.103 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.257 -1.489 0.578 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -13.888 -0.728 1.235 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.264 0.188 0.845 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.661 1.948 -3.223 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.293 2.357 -4.472 1.00 0.23 C ATOM 1702 C TYR B 48 -13.529 3.216 -4.197 1.00 0.25 C ATOM 1703 O TYR B 48 -13.663 4.315 -4.732 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.676 1.114 -5.274 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.796 1.348 -6.763 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -12.190 2.443 -7.367 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -13.497 0.461 -7.567 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.284 2.649 -8.730 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -13.589 0.656 -8.932 1.00 1.03 C ATOM 1710 CZ TYR B 48 -12.982 1.752 -9.508 1.00 0.59 C ATOM 1711 OH TYR B 48 -13.061 1.943 -10.869 1.00 0.74 O ATOM 0 H TYR B 48 -11.691 0.944 -3.048 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.589 2.957 -5.048 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.930 0.339 -5.099 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.626 0.733 -4.900 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.636 3.145 -6.761 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -13.979 -0.396 -7.119 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.813 3.509 -9.183 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -14.134 -0.047 -9.545 1.00 1.03 H new ATOM 0 HH TYR B 48 -13.588 1.221 -11.271 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.409 2.692 -3.349 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.662 3.355 -2.966 1.00 0.46 C ATOM 1723 C LYS B 49 -15.481 4.831 -2.544 1.00 0.54 C ATOM 1724 O LYS B 49 -16.129 5.700 -3.124 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.331 2.574 -1.830 1.00 0.61 C ATOM 1726 CG LYS B 49 -17.721 3.078 -1.456 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.133 2.601 -0.071 1.00 2.15 C ATOM 1728 CE LYS B 49 -18.180 1.087 0.019 1.00 2.61 C ATOM 1729 NZ LYS B 49 -18.342 0.627 1.423 1.00 2.92 N ATOM 0 H LYS B 49 -14.275 1.786 -2.901 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.292 3.362 -3.855 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.403 1.525 -2.119 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -15.692 2.619 -0.948 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -17.734 4.168 -1.486 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.446 2.730 -2.192 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -17.431 2.986 0.669 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -19.113 3.009 0.176 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -19.006 0.712 -0.585 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -17.264 0.669 -0.398 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -18.421 -0.410 1.442 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -17.516 0.921 1.982 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -19.202 1.047 1.829 1.00 2.92 H new ATOM 1743 N PRO B 50 -14.637 5.132 -1.511 1.00 0.60 N ATOM 1744 CA PRO B 50 -14.422 6.501 -1.018 1.00 0.82 C ATOM 1745 C PRO B 50 -14.369 7.544 -2.123 1.00 0.82 C ATOM 1746 O PRO B 50 -13.571 7.437 -3.062 1.00 1.57 O ATOM 1747 CB PRO B 50 -13.075 6.397 -0.315 1.00 1.06 C ATOM 1748 CG PRO B 50 -13.078 5.026 0.254 1.00 0.89 C ATOM 1749 CD PRO B 50 -13.845 4.169 -0.722 1.00 0.53 C ATOM 0 HA PRO B 50 -15.242 6.833 -0.381 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -12.248 6.540 -1.011 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -12.970 7.153 0.463 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -12.061 4.655 0.382 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -13.549 5.013 1.237 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.173 3.592 -1.357 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -14.487 3.455 -0.205 1.00 0.53 H new ATOM 1757 N HIS B 51 -15.217 8.554 -1.979 1.00 0.97 N ATOM 1758 CA HIS B 51 -15.415 9.566 -3.006 1.00 1.13 C ATOM 1759 C HIS B 51 -14.132 10.332 -3.301 1.00 1.69 C ATOM 1760 O HIS B 51 -13.239 10.439 -2.457 1.00 2.46 O ATOM 1761 CB HIS B 51 -16.542 10.519 -2.599 1.00 2.12 C ATOM 1762 CG HIS B 51 -17.875 9.839 -2.528 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -18.632 9.772 -1.380 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -18.580 9.182 -3.477 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -19.741 9.102 -1.625 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -19.735 8.732 -2.890 1.00 4.55 N ATOM 0 H HIS B 51 -15.787 8.694 -1.145 1.00 0.97 H new ATOM 0 HA HIS B 51 -15.702 9.057 -3.926 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -16.310 10.957 -1.628 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -16.595 11.340 -3.314 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -18.288 9.038 -4.507 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -20.522 8.892 -0.910 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -20.469 8.199 -3.356 1.00 4.55 H new ATOM 1775 N GLY B 52 -14.064 10.861 -4.509 1.00 2.10 N ATOM 1776 CA GLY B 52 -12.838 11.427 -5.020 1.00 3.10 C ATOM 1777 C GLY B 52 -12.309 10.567 -6.137 1.00 2.89 C ATOM 1778 O GLY B 52 -11.375 9.787 -5.950 1.00 3.12 O ATOM 0 H GLY B 52 -14.852 10.908 -5.155 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -13.017 12.440 -5.381 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -12.099 11.499 -4.222 1.00 3.10 H new ATOM 1782 N VAL B 53 -12.943 10.693 -7.296 1.00 2.81 N ATOM 1783 CA VAL B 53 -12.683 9.801 -8.415 1.00 2.74 C ATOM 1784 C VAL B 53 -11.252 9.915 -8.927 1.00 2.07 C ATOM 1785 O VAL B 53 -10.718 11.011 -9.117 1.00 1.96 O ATOM 1786 CB VAL B 53 -13.676 10.020 -9.577 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -13.648 11.463 -10.062 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -13.369 9.065 -10.718 1.00 3.62 C ATOM 0 H VAL B 53 -13.645 11.409 -7.484 1.00 2.81 H new ATOM 0 HA VAL B 53 -12.825 8.792 -8.027 1.00 2.74 H new ATOM 0 HB VAL B 53 -14.681 9.814 -9.208 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -14.358 11.586 -10.880 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -13.921 12.128 -9.242 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -12.645 11.710 -10.411 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -14.076 9.230 -11.531 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -12.355 9.242 -11.078 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -13.455 8.037 -10.365 1.00 3.62 H new ATOM 1798 N CYS B 54 -10.652 8.757 -9.138 1.00 1.96 N ATOM 1799 CA CYS B 54 -9.303 8.639 -9.657 1.00 1.58 C ATOM 1800 C CYS B 54 -9.198 7.321 -10.409 1.00 2.13 C ATOM 1801 O CYS B 54 -8.942 6.286 -9.768 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.272 8.711 -8.529 1.00 1.96 C ATOM 1803 SG CYS B 54 -8.273 10.266 -7.603 1.00 2.82 S ATOM 1804 OXT CYS B 54 -9.446 7.316 -11.632 1.00 2.59 O ATOM 0 H CYS B 54 -11.096 7.858 -8.950 1.00 1.96 H new ATOM 0 HA CYS B 54 -9.093 9.468 -10.332 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -8.455 7.890 -7.835 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -7.279 8.556 -8.952 1.00 1.96 H new ATOM 0 HG CYS B 54 -9.231 11.030 -8.038 1.00 2.82 H new TER 1810 CYS B 54