USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.834 K(o=0.73,f=-7.6!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.533 K(o=-0.53,f=-2.9!) USER MOD Single : A 19 TYR OH : rot -132:sc= 0.0931 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0.105 (180deg=0.0882) USER MOD Single : A 32 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.135 (180deg=-1.09) USER MOD Single : A 41 SER OG : rot -69:sc= 0.665 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 38:sc= 0.88 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.2 F(o=-2.7!,f=-1.2) USER MOD Single : A 73 MET CE :methyl 150:sc= -0.25 (180deg=-0.876) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.0122 (180deg=-0.173) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 31:sc= 0.268 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.427 -8.518 -25.148 1.00 0.00 N ATOM 2 CA GLY A 1 -8.840 -8.254 -25.351 1.00 0.00 C ATOM 3 C GLY A 1 -9.694 -8.744 -24.199 1.00 0.00 C ATOM 4 O GLY A 1 -10.716 -9.397 -24.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.887 -8.164 -25.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.105 -8.037 -24.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.276 -9.542 -25.051 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.991 -7.182 -25.481 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.168 -8.736 -26.272 1.00 0.00 H new ATOM 8 N SER A 2 -9.273 -8.431 -22.978 1.00 0.00 N ATOM 9 CA SER A 2 -10.004 -8.850 -21.787 1.00 0.00 C ATOM 10 C SER A 2 -11.085 -7.835 -21.429 1.00 0.00 C ATOM 11 O SER A 2 -11.086 -6.709 -21.928 1.00 0.00 O ATOM 12 CB SER A 2 -9.043 -9.026 -20.609 1.00 0.00 C ATOM 13 OG SER A 2 -8.633 -7.771 -20.094 1.00 0.00 O ATOM 0 H SER A 2 -8.430 -7.889 -22.787 1.00 0.00 H new ATOM 0 HA SER A 2 -10.483 -9.805 -22.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.528 -9.604 -19.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.170 -9.594 -20.930 1.00 0.00 H new ATOM 0 HG SER A 2 -8.021 -7.910 -19.341 1.00 0.00 H new ATOM 19 N SER A 3 -12.005 -8.242 -20.561 1.00 0.00 N ATOM 20 CA SER A 3 -13.096 -7.370 -20.137 1.00 0.00 C ATOM 21 C SER A 3 -13.331 -7.486 -18.635 1.00 0.00 C ATOM 22 O SER A 3 -13.878 -8.479 -18.155 1.00 0.00 O ATOM 23 CB SER A 3 -14.378 -7.719 -20.895 1.00 0.00 C ATOM 24 OG SER A 3 -14.359 -7.181 -22.206 1.00 0.00 O ATOM 0 H SER A 3 -12.018 -9.170 -20.137 1.00 0.00 H new ATOM 0 HA SER A 3 -12.817 -6.341 -20.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.491 -8.802 -20.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.241 -7.333 -20.353 1.00 0.00 H new ATOM 0 HG SER A 3 -15.189 -7.420 -22.670 1.00 0.00 H new ATOM 30 N GLY A 4 -12.914 -6.462 -17.896 1.00 0.00 N ATOM 31 CA GLY A 4 -13.088 -6.467 -16.455 1.00 0.00 C ATOM 32 C GLY A 4 -11.823 -6.865 -15.720 1.00 0.00 C ATOM 33 O GLY A 4 -11.343 -7.989 -15.861 1.00 0.00 O ATOM 0 H GLY A 4 -12.459 -5.629 -18.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.399 -5.475 -16.126 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.890 -7.156 -16.191 1.00 0.00 H new ATOM 37 N SER A 5 -11.282 -5.939 -14.935 1.00 0.00 N ATOM 38 CA SER A 5 -10.062 -6.197 -14.179 1.00 0.00 C ATOM 39 C SER A 5 -10.265 -5.891 -12.698 1.00 0.00 C ATOM 40 O SER A 5 -11.253 -5.266 -12.312 1.00 0.00 O ATOM 41 CB SER A 5 -8.908 -5.358 -14.731 1.00 0.00 C ATOM 42 OG SER A 5 -9.172 -3.973 -14.590 1.00 0.00 O ATOM 0 H SER A 5 -11.669 -5.004 -14.806 1.00 0.00 H new ATOM 0 HA SER A 5 -9.816 -7.254 -14.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.987 -5.611 -14.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.752 -5.596 -15.783 1.00 0.00 H new ATOM 0 HG SER A 5 -8.419 -3.458 -14.949 1.00 0.00 H new ATOM 48 N SER A 6 -9.323 -6.336 -11.873 1.00 0.00 N ATOM 49 CA SER A 6 -9.399 -6.114 -10.434 1.00 0.00 C ATOM 50 C SER A 6 -8.074 -5.583 -9.895 1.00 0.00 C ATOM 51 O SER A 6 -7.030 -5.729 -10.530 1.00 0.00 O ATOM 52 CB SER A 6 -9.771 -7.412 -9.715 1.00 0.00 C ATOM 53 OG SER A 6 -8.683 -8.320 -9.706 1.00 0.00 O ATOM 0 H SER A 6 -8.498 -6.853 -12.177 1.00 0.00 H new ATOM 0 HA SER A 6 -10.172 -5.369 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.072 -7.191 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.628 -7.871 -10.207 1.00 0.00 H new ATOM 0 HG SER A 6 -8.946 -9.141 -9.239 1.00 0.00 H new ATOM 59 N GLY A 7 -8.125 -4.966 -8.719 1.00 0.00 N ATOM 60 CA GLY A 7 -6.924 -4.423 -8.113 1.00 0.00 C ATOM 61 C GLY A 7 -6.546 -3.071 -8.687 1.00 0.00 C ATOM 62 O GLY A 7 -6.126 -2.974 -9.839 1.00 0.00 O ATOM 0 H GLY A 7 -8.977 -4.832 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.074 -4.329 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.099 -5.120 -8.260 1.00 0.00 H new ATOM 66 N ARG A 8 -6.698 -2.025 -7.881 1.00 0.00 N ATOM 67 CA ARG A 8 -6.373 -0.672 -8.316 1.00 0.00 C ATOM 68 C ARG A 8 -4.898 -0.364 -8.076 1.00 0.00 C ATOM 69 O ARG A 8 -4.246 -1.001 -7.249 1.00 0.00 O ATOM 70 CB ARG A 8 -7.244 0.347 -7.579 1.00 0.00 C ATOM 71 CG ARG A 8 -6.957 0.429 -6.089 1.00 0.00 C ATOM 72 CD ARG A 8 -7.704 1.584 -5.440 1.00 0.00 C ATOM 73 NE ARG A 8 -9.116 1.275 -5.232 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.047 1.425 -6.167 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.717 1.877 -7.369 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.311 1.122 -5.901 1.00 0.00 N ATOM 0 H ARG A 8 -7.044 -2.089 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.572 -0.603 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.093 1.331 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.293 0.089 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.245 -0.507 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.886 0.552 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.241 1.823 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.616 2.471 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.403 0.925 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.746 2.110 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.434 1.991 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.568 0.773 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.025 1.238 -6.620 1.00 0.00 H new ATOM 90 N VAL A 9 -4.378 0.618 -8.807 1.00 0.00 N ATOM 91 CA VAL A 9 -2.980 1.011 -8.674 1.00 0.00 C ATOM 92 C VAL A 9 -2.846 2.297 -7.866 1.00 0.00 C ATOM 93 O VAL A 9 -3.524 3.288 -8.138 1.00 0.00 O ATOM 94 CB VAL A 9 -2.320 1.212 -10.051 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.887 1.696 -9.891 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.369 -0.077 -10.857 1.00 0.00 C ATOM 0 H VAL A 9 -4.904 1.155 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.472 0.201 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.877 1.975 -10.594 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.437 1.832 -10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.881 2.645 -9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.314 0.958 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.898 0.082 -11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.837 -0.862 -10.320 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.407 -0.376 -11.002 1.00 0.00 H new ATOM 106 N VAL A 10 -1.966 2.274 -6.869 1.00 0.00 N ATOM 107 CA VAL A 10 -1.741 3.439 -6.022 1.00 0.00 C ATOM 108 C VAL A 10 -0.312 3.952 -6.161 1.00 0.00 C ATOM 109 O VAL A 10 0.615 3.181 -6.409 1.00 0.00 O ATOM 110 CB VAL A 10 -2.017 3.117 -4.541 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.110 4.397 -3.725 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.289 2.294 -4.403 1.00 0.00 C ATOM 0 H VAL A 10 -1.398 1.462 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.435 4.211 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.186 2.527 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.305 4.150 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.170 4.944 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.921 5.015 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.469 2.076 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.132 2.856 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.179 1.360 -4.954 1.00 0.00 H new ATOM 122 N VAL A 11 -0.140 5.260 -5.999 1.00 0.00 N ATOM 123 CA VAL A 11 1.176 5.877 -6.105 1.00 0.00 C ATOM 124 C VAL A 11 1.367 6.951 -5.040 1.00 0.00 C ATOM 125 O VAL A 11 0.577 7.890 -4.942 1.00 0.00 O ATOM 126 CB VAL A 11 1.392 6.505 -7.495 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.773 7.136 -7.588 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.200 5.462 -8.585 1.00 0.00 C ATOM 0 H VAL A 11 -0.896 5.913 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 11 1.909 5.085 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 11 0.650 7.290 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.907 7.574 -8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.869 7.914 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.534 6.373 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.356 5.922 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.918 4.654 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.188 5.061 -8.531 1.00 0.00 H new ATOM 138 N ILE A 12 2.421 6.806 -4.244 1.00 0.00 N ATOM 139 CA ILE A 12 2.717 7.765 -3.186 1.00 0.00 C ATOM 140 C ILE A 12 4.209 8.071 -3.123 1.00 0.00 C ATOM 141 O ILE A 12 5.042 7.235 -3.476 1.00 0.00 O ATOM 142 CB ILE A 12 2.251 7.249 -1.812 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.850 6.642 -1.918 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.271 8.374 -0.789 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.549 5.626 -0.840 1.00 0.00 C ATOM 0 H ILE A 12 3.084 6.034 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 12 2.172 8.678 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 12 2.939 6.471 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.111 7.442 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.741 6.168 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.939 7.993 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.285 8.764 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.604 9.172 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.460 5.238 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.265 4.806 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.625 6.100 0.138 1.00 0.00 H new ATOM 157 N LYS A 13 4.542 9.274 -2.669 1.00 0.00 N ATOM 158 CA LYS A 13 5.935 9.691 -2.555 1.00 0.00 C ATOM 159 C LYS A 13 6.179 10.418 -1.237 1.00 0.00 C ATOM 160 O LYS A 13 5.372 11.246 -0.813 1.00 0.00 O ATOM 161 CB LYS A 13 6.314 10.598 -3.728 1.00 0.00 C ATOM 162 CG LYS A 13 5.272 11.659 -4.039 1.00 0.00 C ATOM 163 CD LYS A 13 5.529 12.937 -3.259 1.00 0.00 C ATOM 164 CE LYS A 13 4.988 14.155 -3.993 1.00 0.00 C ATOM 165 NZ LYS A 13 3.519 14.310 -3.802 1.00 0.00 N ATOM 0 H LYS A 13 3.866 9.978 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 13 6.559 8.798 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.263 11.087 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.471 9.984 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.279 11.876 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.280 11.278 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.062 12.865 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.600 13.055 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.497 15.050 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.209 14.066 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.189 15.151 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.031 13.467 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.310 14.421 -2.789 1.00 0.00 H new ATOM 179 N LYS A 14 7.299 10.106 -0.593 1.00 0.00 N ATOM 180 CA LYS A 14 7.652 10.731 0.676 1.00 0.00 C ATOM 181 C LYS A 14 7.357 12.228 0.646 1.00 0.00 C ATOM 182 O LYS A 14 7.711 12.921 -0.307 1.00 0.00 O ATOM 183 CB LYS A 14 9.132 10.498 0.989 1.00 0.00 C ATOM 184 CG LYS A 14 9.438 10.444 2.475 1.00 0.00 C ATOM 185 CD LYS A 14 10.773 9.770 2.745 1.00 0.00 C ATOM 186 CE LYS A 14 10.631 8.257 2.810 1.00 0.00 C ATOM 187 NZ LYS A 14 11.951 7.572 2.726 1.00 0.00 N ATOM 0 H LYS A 14 7.978 9.423 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 14 7.046 10.275 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.450 9.563 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.721 11.295 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.451 11.455 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.645 9.903 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.481 10.037 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.184 10.139 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.136 7.978 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.993 7.917 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.812 6.543 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.413 7.818 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.551 7.877 3.518 1.00 0.00 H new ATOM 201 N GLY A 15 6.708 12.720 1.697 1.00 0.00 N ATOM 202 CA GLY A 15 6.379 14.131 1.771 1.00 0.00 C ATOM 203 C GLY A 15 6.695 14.730 3.127 1.00 0.00 C ATOM 204 O GLY A 15 7.699 14.381 3.748 1.00 0.00 O ATOM 0 H GLY A 15 6.404 12.166 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.931 14.670 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.319 14.265 1.556 1.00 0.00 H new ATOM 208 N SER A 16 5.838 15.636 3.586 1.00 0.00 N ATOM 209 CA SER A 16 6.035 16.290 4.875 1.00 0.00 C ATOM 210 C SER A 16 6.063 15.265 6.005 1.00 0.00 C ATOM 211 O SER A 16 6.948 15.291 6.859 1.00 0.00 O ATOM 212 CB SER A 16 4.925 17.312 5.127 1.00 0.00 C ATOM 213 OG SER A 16 5.390 18.381 5.934 1.00 0.00 O ATOM 0 H SER A 16 5.001 15.934 3.085 1.00 0.00 H new ATOM 0 HA SER A 16 6.995 16.805 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.562 17.701 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.081 16.824 5.615 1.00 0.00 H new ATOM 0 HG SER A 16 4.663 19.022 6.079 1.00 0.00 H new ATOM 219 N ASN A 17 5.088 14.363 6.002 1.00 0.00 N ATOM 220 CA ASN A 17 4.999 13.329 7.026 1.00 0.00 C ATOM 221 C ASN A 17 5.084 11.938 6.404 1.00 0.00 C ATOM 222 O ASN A 17 4.066 11.286 6.175 1.00 0.00 O ATOM 223 CB ASN A 17 3.694 13.470 7.812 1.00 0.00 C ATOM 224 CG ASN A 17 3.419 14.903 8.223 1.00 0.00 C ATOM 225 OD1 ASN A 17 4.331 15.728 8.289 1.00 0.00 O ATOM 226 ND2 ASN A 17 2.157 15.207 8.503 1.00 0.00 N ATOM 0 H ASN A 17 4.348 14.327 5.301 1.00 0.00 H new ATOM 0 HA ASN A 17 5.840 13.455 7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.866 13.104 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.739 12.842 8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.912 16.156 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.433 14.492 8.435 1.00 0.00 H new ATOM 233 N GLY A 18 6.306 11.489 6.134 1.00 0.00 N ATOM 234 CA GLY A 18 6.501 10.179 5.542 1.00 0.00 C ATOM 235 C GLY A 18 5.626 9.957 4.324 1.00 0.00 C ATOM 236 O GLY A 18 5.692 10.716 3.357 1.00 0.00 O ATOM 0 H GLY A 18 7.164 12.009 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.547 10.063 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.285 9.412 6.286 1.00 0.00 H new ATOM 240 N TYR A 19 4.805 8.914 4.370 1.00 0.00 N ATOM 241 CA TYR A 19 3.916 8.592 3.260 1.00 0.00 C ATOM 242 C TYR A 19 2.471 8.942 3.600 1.00 0.00 C ATOM 243 O TYR A 19 1.732 9.458 2.763 1.00 0.00 O ATOM 244 CB TYR A 19 4.023 7.107 2.908 1.00 0.00 C ATOM 245 CG TYR A 19 5.298 6.748 2.177 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.458 6.438 2.876 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.342 6.721 0.789 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.625 6.110 2.213 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.504 6.393 0.118 1.00 0.00 C ATOM 250 CZ TYR A 19 7.643 6.089 0.834 1.00 0.00 C ATOM 251 OH TYR A 19 8.803 5.763 0.169 1.00 0.00 O ATOM 0 H TYR A 19 4.737 8.277 5.164 1.00 0.00 H new ATOM 0 HA TYR A 19 4.222 9.186 2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.962 6.520 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.169 6.826 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.447 6.454 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.453 6.960 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.518 5.871 2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.521 6.375 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 19 8.968 6.418 -0.541 1.00 0.00 H new ATOM 261 N GLY A 20 2.075 8.657 4.837 1.00 0.00 N ATOM 262 CA GLY A 20 0.720 8.948 5.268 1.00 0.00 C ATOM 263 C GLY A 20 -0.096 7.693 5.504 1.00 0.00 C ATOM 264 O GLY A 20 -1.145 7.738 6.148 1.00 0.00 O ATOM 0 H GLY A 20 2.668 8.230 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.752 9.535 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.227 9.562 4.515 1.00 0.00 H new ATOM 268 N PHE A 21 0.384 6.570 4.981 1.00 0.00 N ATOM 269 CA PHE A 21 -0.310 5.297 5.136 1.00 0.00 C ATOM 270 C PHE A 21 0.546 4.303 5.916 1.00 0.00 C ATOM 271 O PHE A 21 1.775 4.351 5.866 1.00 0.00 O ATOM 272 CB PHE A 21 -0.666 4.715 3.766 1.00 0.00 C ATOM 273 CG PHE A 21 0.486 4.029 3.089 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.406 4.756 2.352 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.647 2.656 3.189 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.467 4.127 1.727 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.706 2.022 2.567 1.00 0.00 C ATOM 278 CZ PHE A 21 2.616 2.759 1.834 1.00 0.00 C ATOM 0 H PHE A 21 1.251 6.515 4.446 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.228 5.478 5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.484 4.004 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.030 5.516 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.293 5.827 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.063 2.075 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.178 4.705 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.822 0.952 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.443 2.265 1.345 1.00 0.00 H new ATOM 288 N TYR A 22 -0.113 3.402 6.637 1.00 0.00 N ATOM 289 CA TYR A 22 0.586 2.398 7.430 1.00 0.00 C ATOM 290 C TYR A 22 0.202 0.989 6.987 1.00 0.00 C ATOM 291 O TYR A 22 -0.757 0.801 6.238 1.00 0.00 O ATOM 292 CB TYR A 22 0.270 2.581 8.916 1.00 0.00 C ATOM 293 CG TYR A 22 0.845 3.850 9.505 1.00 0.00 C ATOM 294 CD1 TYR A 22 0.119 5.034 9.495 1.00 0.00 C ATOM 295 CD2 TYR A 22 2.114 3.864 10.070 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.640 6.196 10.031 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.643 5.020 10.610 1.00 0.00 C ATOM 298 CZ TYR A 22 1.902 6.184 10.588 1.00 0.00 C ATOM 299 OH TYR A 22 2.426 7.338 11.123 1.00 0.00 O ATOM 0 H TYR A 22 -1.130 3.347 6.688 1.00 0.00 H new ATOM 0 HA TYR A 22 1.657 2.529 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.812 2.585 9.051 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.657 1.725 9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.870 5.047 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.697 2.955 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.063 7.108 10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.631 5.013 11.047 1.00 0.00 H new ATOM 0 HH TYR A 22 3.323 7.158 11.475 1.00 0.00 H new ATOM 309 N LEU A 23 0.957 0.002 7.457 1.00 0.00 N ATOM 310 CA LEU A 23 0.697 -1.391 7.111 1.00 0.00 C ATOM 311 C LEU A 23 0.608 -2.256 8.364 1.00 0.00 C ATOM 312 O LEU A 23 1.385 -2.086 9.304 1.00 0.00 O ATOM 313 CB LEU A 23 1.795 -1.921 6.188 1.00 0.00 C ATOM 314 CG LEU A 23 1.850 -1.309 4.788 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.057 -1.830 4.024 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.566 -1.604 4.026 1.00 0.00 C ATOM 0 H LEU A 23 1.754 0.141 8.078 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.260 -1.438 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.758 -1.758 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.667 -2.999 6.087 1.00 0.00 H new ATOM 0 HG LEU A 23 1.949 -0.228 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.079 -1.383 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.969 -1.567 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.990 -2.914 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.623 -1.161 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.436 -2.682 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.282 -1.180 4.564 1.00 0.00 H new ATOM 328 N ARG A 24 -0.343 -3.184 8.370 1.00 0.00 N ATOM 329 CA ARG A 24 -0.533 -4.076 9.507 1.00 0.00 C ATOM 330 C ARG A 24 -0.753 -5.512 9.041 1.00 0.00 C ATOM 331 O ARG A 24 -1.429 -5.754 8.041 1.00 0.00 O ATOM 332 CB ARG A 24 -1.722 -3.615 10.352 1.00 0.00 C ATOM 333 CG ARG A 24 -1.798 -4.285 11.714 1.00 0.00 C ATOM 334 CD ARG A 24 -2.891 -3.672 12.576 1.00 0.00 C ATOM 335 NE ARG A 24 -2.804 -4.113 13.965 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.616 -3.683 14.925 1.00 0.00 C ATOM 337 NH1 ARG A 24 -4.571 -2.807 14.647 1.00 0.00 N ATOM 338 NH2 ARG A 24 -3.473 -4.130 16.166 1.00 0.00 N ATOM 0 H ARG A 24 -0.994 -3.338 7.600 1.00 0.00 H new ATOM 0 HA ARG A 24 0.371 -4.044 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.662 -2.536 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.644 -3.815 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.988 -5.351 11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.838 -4.191 12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.818 -2.585 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.866 -3.941 12.171 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.080 -4.788 14.212 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.684 -2.461 13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.193 -2.479 15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.739 -4.804 16.384 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.097 -3.799 16.902 1.00 0.00 H new ATOM 352 N ALA A 25 -0.177 -6.461 9.771 1.00 0.00 N ATOM 353 CA ALA A 25 -0.312 -7.873 9.434 1.00 0.00 C ATOM 354 C ALA A 25 -1.778 -8.288 9.384 1.00 0.00 C ATOM 355 O ALA A 25 -2.404 -8.518 10.418 1.00 0.00 O ATOM 356 CB ALA A 25 0.448 -8.730 10.435 1.00 0.00 C ATOM 0 H ALA A 25 0.388 -6.278 10.600 1.00 0.00 H new ATOM 0 HA ALA A 25 0.115 -8.027 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.338 -9.782 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.504 -8.460 10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.047 -8.563 11.435 1.00 0.00 H new ATOM 362 N GLY A 26 -2.321 -8.382 8.174 1.00 0.00 N ATOM 363 CA GLY A 26 -3.711 -8.769 8.013 1.00 0.00 C ATOM 364 C GLY A 26 -3.973 -10.190 8.469 1.00 0.00 C ATOM 365 O GLY A 26 -3.073 -10.895 8.924 1.00 0.00 O ATOM 0 H GLY A 26 -1.824 -8.197 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.343 -8.086 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.994 -8.669 6.965 1.00 0.00 H new ATOM 369 N PRO A 27 -5.235 -10.631 8.349 1.00 0.00 N ATOM 370 CA PRO A 27 -5.643 -11.981 8.748 1.00 0.00 C ATOM 371 C PRO A 27 -5.076 -13.054 7.825 1.00 0.00 C ATOM 372 O PRO A 27 -4.143 -12.801 7.064 1.00 0.00 O ATOM 373 CB PRO A 27 -7.169 -11.936 8.642 1.00 0.00 C ATOM 374 CG PRO A 27 -7.448 -10.867 7.642 1.00 0.00 C ATOM 375 CD PRO A 27 -6.359 -9.845 7.814 1.00 0.00 C ATOM 0 HA PRO A 27 -5.279 -12.240 9.742 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.572 -12.896 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.626 -11.707 9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.448 -11.270 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.430 -10.423 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.102 -9.369 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.657 -9.052 8.500 1.00 0.00 H new ATOM 383 N GLU A 28 -5.648 -14.253 7.898 1.00 0.00 N ATOM 384 CA GLU A 28 -5.198 -15.364 7.068 1.00 0.00 C ATOM 385 C GLU A 28 -5.034 -14.927 5.615 1.00 0.00 C ATOM 386 O GLU A 28 -4.327 -15.570 4.840 1.00 0.00 O ATOM 387 CB GLU A 28 -6.189 -16.527 7.153 1.00 0.00 C ATOM 388 CG GLU A 28 -7.594 -16.163 6.705 1.00 0.00 C ATOM 389 CD GLU A 28 -8.580 -17.300 6.892 1.00 0.00 C ATOM 390 OE1 GLU A 28 -9.130 -17.430 8.006 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.800 -18.060 5.927 1.00 0.00 O ATOM 0 H GLU A 28 -6.422 -14.479 8.522 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.229 -15.693 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.823 -17.351 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.226 -16.887 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.937 -15.294 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.573 -15.875 5.654 1.00 0.00 H new ATOM 398 N GLN A 29 -5.692 -13.830 5.256 1.00 0.00 N ATOM 399 CA GLN A 29 -5.621 -13.308 3.896 1.00 0.00 C ATOM 400 C GLN A 29 -4.182 -12.971 3.518 1.00 0.00 C ATOM 401 O GLN A 29 -3.359 -12.659 4.379 1.00 0.00 O ATOM 402 CB GLN A 29 -6.501 -12.065 3.757 1.00 0.00 C ATOM 403 CG GLN A 29 -7.936 -12.377 3.362 1.00 0.00 C ATOM 404 CD GLN A 29 -8.789 -11.131 3.229 1.00 0.00 C ATOM 405 OE1 GLN A 29 -9.107 -10.698 2.121 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.164 -10.546 4.360 1.00 0.00 N ATOM 0 H GLN A 29 -6.280 -13.286 5.887 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.985 -14.080 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.503 -11.524 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.063 -11.402 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.939 -12.917 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.379 -13.038 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.878 -10.939 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.738 -9.704 4.332 1.00 0.00 H new ATOM 415 N LYS A 30 -3.885 -13.036 2.224 1.00 0.00 N ATOM 416 CA LYS A 30 -2.546 -12.737 1.730 1.00 0.00 C ATOM 417 C LYS A 30 -2.416 -11.261 1.370 1.00 0.00 C ATOM 418 O LYS A 30 -3.104 -10.767 0.477 1.00 0.00 O ATOM 419 CB LYS A 30 -2.226 -13.601 0.508 1.00 0.00 C ATOM 420 CG LYS A 30 -1.577 -14.929 0.856 1.00 0.00 C ATOM 421 CD LYS A 30 -2.616 -16.014 1.087 1.00 0.00 C ATOM 422 CE LYS A 30 -3.094 -16.030 2.530 1.00 0.00 C ATOM 423 NZ LYS A 30 -2.263 -16.927 3.380 1.00 0.00 N ATOM 0 H LYS A 30 -4.554 -13.293 1.498 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.834 -12.963 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.147 -13.790 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.564 -13.045 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.908 -15.230 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.966 -14.813 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.465 -15.853 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.192 -16.985 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.065 -15.018 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.133 -16.357 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.556 -16.833 4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.391 -17.912 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.261 -16.663 3.288 1.00 0.00 H new ATOM 437 N GLY A 31 -1.528 -10.561 2.070 1.00 0.00 N ATOM 438 CA GLY A 31 -1.324 -9.148 1.808 1.00 0.00 C ATOM 439 C GLY A 31 -1.335 -8.316 3.075 1.00 0.00 C ATOM 440 O GLY A 31 -1.635 -8.823 4.155 1.00 0.00 O ATOM 0 H GLY A 31 -0.946 -10.947 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.372 -9.010 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.103 -8.790 1.135 1.00 0.00 H new ATOM 444 N GLN A 32 -1.005 -7.035 2.943 1.00 0.00 N ATOM 445 CA GLN A 32 -0.977 -6.132 4.087 1.00 0.00 C ATOM 446 C GLN A 32 -2.162 -5.173 4.054 1.00 0.00 C ATOM 447 O GLN A 32 -2.570 -4.712 2.987 1.00 0.00 O ATOM 448 CB GLN A 32 0.333 -5.342 4.108 1.00 0.00 C ATOM 449 CG GLN A 32 1.565 -6.212 4.305 1.00 0.00 C ATOM 450 CD GLN A 32 1.448 -7.124 5.510 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.475 -6.668 6.653 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.316 -8.422 5.260 1.00 0.00 N ATOM 0 H GLN A 32 -0.753 -6.600 2.056 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.045 -6.733 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.432 -4.793 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.289 -4.602 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.726 -6.815 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.441 -5.574 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.298 -8.757 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.232 -9.084 6.031 1.00 0.00 H new ATOM 461 N ILE A 33 -2.711 -4.877 5.227 1.00 0.00 N ATOM 462 CA ILE A 33 -3.849 -3.973 5.331 1.00 0.00 C ATOM 463 C ILE A 33 -3.394 -2.552 5.648 1.00 0.00 C ATOM 464 O ILE A 33 -2.443 -2.348 6.403 1.00 0.00 O ATOM 465 CB ILE A 33 -4.839 -4.436 6.415 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.065 -5.947 6.318 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.158 -3.689 6.283 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.192 -6.447 7.194 1.00 0.00 C ATOM 0 H ILE A 33 -2.386 -5.250 6.119 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.351 -3.985 4.364 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.414 -4.212 7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.278 -6.208 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.145 -6.462 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.847 -4.028 7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.983 -2.619 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.590 -3.884 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.295 -7.526 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.972 -6.217 8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.123 -5.959 6.903 1.00 0.00 H new ATOM 480 N ILE A 34 -4.082 -1.574 5.069 1.00 0.00 N ATOM 481 CA ILE A 34 -3.750 -0.172 5.292 1.00 0.00 C ATOM 482 C ILE A 34 -4.669 0.450 6.338 1.00 0.00 C ATOM 483 O ILE A 34 -5.841 0.090 6.444 1.00 0.00 O ATOM 484 CB ILE A 34 -3.848 0.644 3.989 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.791 0.175 2.988 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.687 2.129 4.281 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.804 0.949 1.688 1.00 0.00 C ATOM 0 H ILE A 34 -4.872 -1.726 4.442 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.722 -0.144 5.652 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.833 0.484 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.805 0.264 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.949 -0.882 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.759 2.693 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.473 2.453 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.714 2.306 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.029 0.562 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.777 0.840 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.616 2.003 1.890 1.00 0.00 H new ATOM 499 N LYS A 35 -4.129 1.389 7.108 1.00 0.00 N ATOM 500 CA LYS A 35 -4.900 2.065 8.145 1.00 0.00 C ATOM 501 C LYS A 35 -4.128 3.254 8.709 1.00 0.00 C ATOM 502 O LYS A 35 -2.947 3.436 8.412 1.00 0.00 O ATOM 503 CB LYS A 35 -5.247 1.088 9.271 1.00 0.00 C ATOM 504 CG LYS A 35 -4.060 0.274 9.756 1.00 0.00 C ATOM 505 CD LYS A 35 -4.492 -1.089 10.271 1.00 0.00 C ATOM 506 CE LYS A 35 -4.710 -2.072 9.131 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.544 -3.232 9.551 1.00 0.00 N ATOM 0 H LYS A 35 -3.160 1.699 7.033 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.822 2.433 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.662 1.646 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.026 0.409 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.347 0.147 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.545 0.817 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.734 -1.480 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.412 -0.987 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.192 -1.561 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.746 -2.430 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.003 -4.112 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.807 -3.126 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.405 -3.270 8.969 1.00 0.00 H new ATOM 521 N ASP A 36 -4.801 4.058 9.524 1.00 0.00 N ATOM 522 CA ASP A 36 -4.177 5.227 10.132 1.00 0.00 C ATOM 523 C ASP A 36 -3.735 6.223 9.065 1.00 0.00 C ATOM 524 O ASP A 36 -2.670 6.833 9.174 1.00 0.00 O ATOM 525 CB ASP A 36 -2.978 4.807 10.984 1.00 0.00 C ATOM 526 CG ASP A 36 -3.385 3.991 12.194 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.577 4.033 12.565 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.512 3.309 12.771 1.00 0.00 O ATOM 0 H ASP A 36 -5.779 3.922 9.779 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.915 5.711 10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.288 4.226 10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.441 5.696 11.313 1.00 0.00 H new ATOM 533 N ILE A 37 -4.558 6.382 8.034 1.00 0.00 N ATOM 534 CA ILE A 37 -4.251 7.304 6.947 1.00 0.00 C ATOM 535 C ILE A 37 -4.234 8.747 7.439 1.00 0.00 C ATOM 536 O ILE A 37 -5.119 9.170 8.182 1.00 0.00 O ATOM 537 CB ILE A 37 -5.267 7.177 5.797 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.176 5.791 5.157 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.030 8.263 4.758 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.131 5.595 4.001 1.00 0.00 C ATOM 0 H ILE A 37 -5.442 5.885 7.928 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.261 7.037 6.577 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.270 7.303 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.157 5.628 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.377 5.035 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.756 8.160 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.141 9.242 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.022 8.166 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.011 4.590 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.156 5.726 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.916 6.327 3.223 1.00 0.00 H new ATOM 552 N GLU A 38 -3.222 9.499 7.018 1.00 0.00 N ATOM 553 CA GLU A 38 -3.091 10.896 7.415 1.00 0.00 C ATOM 554 C GLU A 38 -3.733 11.818 6.382 1.00 0.00 C ATOM 555 O GLU A 38 -3.660 11.585 5.175 1.00 0.00 O ATOM 556 CB GLU A 38 -1.616 11.262 7.596 1.00 0.00 C ATOM 557 CG GLU A 38 -0.898 10.406 8.625 1.00 0.00 C ATOM 558 CD GLU A 38 -1.457 10.584 10.024 1.00 0.00 C ATOM 559 OE1 GLU A 38 -2.606 10.158 10.263 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.744 11.148 10.880 1.00 0.00 O ATOM 0 H GLU A 38 -2.481 9.164 6.402 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.609 11.027 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.106 11.166 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.544 12.308 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.975 9.357 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.162 10.659 8.626 1.00 0.00 H new ATOM 567 N PRO A 39 -4.377 12.890 6.866 1.00 0.00 N ATOM 568 CA PRO A 39 -5.044 13.869 6.002 1.00 0.00 C ATOM 569 C PRO A 39 -4.053 14.705 5.200 1.00 0.00 C ATOM 570 O PRO A 39 -2.958 15.008 5.671 1.00 0.00 O ATOM 571 CB PRO A 39 -5.810 14.751 6.992 1.00 0.00 C ATOM 572 CG PRO A 39 -5.056 14.628 8.271 1.00 0.00 C ATOM 573 CD PRO A 39 -4.504 13.230 8.293 1.00 0.00 C ATOM 0 HA PRO A 39 -5.679 13.390 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.848 15.786 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.841 14.415 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.255 15.365 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.708 14.804 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.542 13.186 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.172 12.542 8.812 1.00 0.00 H new ATOM 581 N GLY A 40 -4.445 15.074 3.984 1.00 0.00 N ATOM 582 CA GLY A 40 -3.579 15.872 3.136 1.00 0.00 C ATOM 583 C GLY A 40 -2.212 15.245 2.951 1.00 0.00 C ATOM 584 O GLY A 40 -1.280 15.899 2.481 1.00 0.00 O ATOM 0 H GLY A 40 -5.347 14.835 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.050 16.003 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.464 16.865 3.571 1.00 0.00 H new ATOM 588 N SER A 41 -2.089 13.975 3.322 1.00 0.00 N ATOM 589 CA SER A 41 -0.824 13.261 3.200 1.00 0.00 C ATOM 590 C SER A 41 -0.725 12.558 1.849 1.00 0.00 C ATOM 591 O SER A 41 -1.729 12.209 1.227 1.00 0.00 O ATOM 592 CB SER A 41 -0.678 12.240 4.330 1.00 0.00 C ATOM 593 OG SER A 41 -1.471 11.092 4.085 1.00 0.00 O ATOM 0 H SER A 41 -2.851 13.419 3.710 1.00 0.00 H new ATOM 0 HA SER A 41 -0.016 13.989 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.368 11.949 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.973 12.695 5.276 1.00 0.00 H new ATOM 0 HG SER A 41 -2.419 11.327 4.162 1.00 0.00 H new ATOM 599 N PRO A 42 0.515 12.346 1.383 1.00 0.00 N ATOM 600 CA PRO A 42 0.776 11.683 0.102 1.00 0.00 C ATOM 601 C PRO A 42 -0.027 10.396 -0.059 1.00 0.00 C ATOM 602 O PRO A 42 -0.295 9.957 -1.177 1.00 0.00 O ATOM 603 CB PRO A 42 2.274 11.375 0.161 1.00 0.00 C ATOM 604 CG PRO A 42 2.835 12.397 1.088 1.00 0.00 C ATOM 605 CD PRO A 42 1.757 12.735 2.071 1.00 0.00 C ATOM 0 HA PRO A 42 0.488 12.305 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.456 10.365 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.731 11.443 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.716 12.011 1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.149 13.285 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.884 12.189 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.761 13.796 2.319 1.00 0.00 H new ATOM 613 N ALA A 43 -0.408 9.797 1.064 1.00 0.00 N ATOM 614 CA ALA A 43 -1.182 8.562 1.047 1.00 0.00 C ATOM 615 C ALA A 43 -2.646 8.837 0.721 1.00 0.00 C ATOM 616 O ALA A 43 -3.246 8.151 -0.106 1.00 0.00 O ATOM 617 CB ALA A 43 -1.062 7.845 2.383 1.00 0.00 C ATOM 0 H ALA A 43 -0.193 10.147 1.998 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.777 7.919 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.645 6.925 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.016 7.606 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.439 8.490 3.177 1.00 0.00 H new ATOM 623 N GLU A 44 -3.215 9.843 1.377 1.00 0.00 N ATOM 624 CA GLU A 44 -4.610 10.207 1.157 1.00 0.00 C ATOM 625 C GLU A 44 -4.785 10.901 -0.191 1.00 0.00 C ATOM 626 O GLU A 44 -5.764 10.668 -0.899 1.00 0.00 O ATOM 627 CB GLU A 44 -5.106 11.118 2.281 1.00 0.00 C ATOM 628 CG GLU A 44 -6.612 11.323 2.278 1.00 0.00 C ATOM 629 CD GLU A 44 -7.369 10.094 2.744 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.436 9.112 1.974 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.895 10.114 3.876 1.00 0.00 O ATOM 0 H GLU A 44 -2.732 10.421 2.065 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.202 9.292 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.807 10.694 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.616 12.088 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.862 12.165 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.937 11.585 1.271 1.00 0.00 H new ATOM 638 N ALA A 45 -3.829 11.757 -0.537 1.00 0.00 N ATOM 639 CA ALA A 45 -3.876 12.485 -1.799 1.00 0.00 C ATOM 640 C ALA A 45 -3.707 11.540 -2.985 1.00 0.00 C ATOM 641 O ALA A 45 -4.147 11.837 -4.095 1.00 0.00 O ATOM 642 CB ALA A 45 -2.805 13.565 -1.826 1.00 0.00 C ATOM 0 H ALA A 45 -3.013 11.963 0.039 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.855 12.957 -1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.852 14.100 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.972 14.264 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.822 13.106 -1.717 1.00 0.00 H new ATOM 648 N ALA A 46 -3.066 10.402 -2.741 1.00 0.00 N ATOM 649 CA ALA A 46 -2.840 9.414 -3.789 1.00 0.00 C ATOM 650 C ALA A 46 -4.138 8.710 -4.169 1.00 0.00 C ATOM 651 O ALA A 46 -4.303 8.260 -5.302 1.00 0.00 O ATOM 652 CB ALA A 46 -1.799 8.399 -3.341 1.00 0.00 C ATOM 0 H ALA A 46 -2.694 10.141 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.468 9.935 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.640 7.667 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.861 8.911 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.149 7.891 -2.443 1.00 0.00 H new ATOM 658 N GLY A 47 -5.058 8.619 -3.213 1.00 0.00 N ATOM 659 CA GLY A 47 -6.330 7.967 -3.468 1.00 0.00 C ATOM 660 C GLY A 47 -6.489 6.679 -2.686 1.00 0.00 C ATOM 661 O GLY A 47 -7.429 5.917 -2.914 1.00 0.00 O ATOM 0 H GLY A 47 -4.945 8.985 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.142 8.647 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.419 7.755 -4.533 1.00 0.00 H new ATOM 665 N LEU A 48 -5.567 6.433 -1.761 1.00 0.00 N ATOM 666 CA LEU A 48 -5.607 5.226 -0.943 1.00 0.00 C ATOM 667 C LEU A 48 -6.971 5.064 -0.278 1.00 0.00 C ATOM 668 O LEU A 48 -7.881 5.863 -0.501 1.00 0.00 O ATOM 669 CB LEU A 48 -4.510 5.271 0.122 1.00 0.00 C ATOM 670 CG LEU A 48 -3.158 4.682 -0.282 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.234 4.593 0.923 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.342 3.312 -0.918 1.00 0.00 C ATOM 0 H LEU A 48 -4.783 7.053 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.437 4.369 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.358 6.310 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.866 4.740 1.005 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.700 5.343 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.276 4.172 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.077 5.590 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.686 3.954 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.370 2.908 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.821 2.641 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.967 3.404 -1.806 1.00 0.00 H new ATOM 684 N LYS A 49 -7.105 4.026 0.541 1.00 0.00 N ATOM 685 CA LYS A 49 -8.355 3.761 1.242 1.00 0.00 C ATOM 686 C LYS A 49 -8.126 2.835 2.432 1.00 0.00 C ATOM 687 O LYS A 49 -7.425 1.830 2.322 1.00 0.00 O ATOM 688 CB LYS A 49 -9.376 3.138 0.287 1.00 0.00 C ATOM 689 CG LYS A 49 -10.055 4.148 -0.621 1.00 0.00 C ATOM 690 CD LYS A 49 -11.461 3.708 -0.993 1.00 0.00 C ATOM 691 CE LYS A 49 -12.011 4.521 -2.155 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.537 4.003 -3.468 1.00 0.00 N ATOM 0 H LYS A 49 -6.362 3.354 0.735 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.743 4.710 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.877 2.388 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.136 2.618 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.096 5.117 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.463 4.280 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.454 2.651 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.117 3.816 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.100 4.501 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.709 5.562 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.934 4.584 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.498 4.046 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.847 3.017 -3.585 1.00 0.00 H new ATOM 706 N ASN A 50 -8.722 3.180 3.568 1.00 0.00 N ATOM 707 CA ASN A 50 -8.583 2.379 4.779 1.00 0.00 C ATOM 708 C ASN A 50 -8.977 0.928 4.519 1.00 0.00 C ATOM 709 O ASN A 50 -9.809 0.645 3.659 1.00 0.00 O ATOM 710 CB ASN A 50 -9.444 2.960 5.902 1.00 0.00 C ATOM 711 CG ASN A 50 -9.020 4.363 6.289 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.597 5.348 5.828 1.00 0.00 O ATOM 713 ND2 ASN A 50 -8.005 4.461 7.140 1.00 0.00 N ATOM 0 H ASN A 50 -9.306 4.009 3.676 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.537 2.404 5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.487 2.973 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.383 2.311 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.675 5.379 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.556 3.618 7.497 1.00 0.00 H new ATOM 720 N ASN A 51 -8.373 0.013 5.271 1.00 0.00 N ATOM 721 CA ASN A 51 -8.661 -1.409 5.122 1.00 0.00 C ATOM 722 C ASN A 51 -8.314 -1.890 3.717 1.00 0.00 C ATOM 723 O ASN A 51 -9.000 -2.744 3.154 1.00 0.00 O ATOM 724 CB ASN A 51 -10.137 -1.685 5.418 1.00 0.00 C ATOM 725 CG ASN A 51 -10.440 -1.677 6.904 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.000 -2.557 7.644 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.196 -0.679 7.348 1.00 0.00 N ATOM 0 H ASN A 51 -7.682 0.231 5.989 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.045 -1.956 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.751 -0.934 4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.414 -2.652 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.433 -0.621 8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.539 0.029 6.699 1.00 0.00 H new ATOM 734 N ASP A 52 -7.244 -1.338 3.156 1.00 0.00 N ATOM 735 CA ASP A 52 -6.804 -1.712 1.817 1.00 0.00 C ATOM 736 C ASP A 52 -5.768 -2.830 1.878 1.00 0.00 C ATOM 737 O ASP A 52 -4.712 -2.680 2.494 1.00 0.00 O ATOM 738 CB ASP A 52 -6.220 -0.498 1.091 1.00 0.00 C ATOM 739 CG ASP A 52 -7.270 0.270 0.311 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.455 0.221 0.703 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.906 0.920 -0.690 1.00 0.00 O ATOM 0 H ASP A 52 -6.665 -0.630 3.608 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.671 -2.074 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.753 0.167 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.435 -0.828 0.411 1.00 0.00 H new ATOM 746 N LEU A 53 -6.077 -3.951 1.235 1.00 0.00 N ATOM 747 CA LEU A 53 -5.173 -5.096 1.217 1.00 0.00 C ATOM 748 C LEU A 53 -4.245 -5.038 0.008 1.00 0.00 C ATOM 749 O LEU A 53 -4.697 -5.065 -1.137 1.00 0.00 O ATOM 750 CB LEU A 53 -5.972 -6.401 1.199 1.00 0.00 C ATOM 751 CG LEU A 53 -5.150 -7.690 1.208 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.742 -8.073 -0.206 1.00 0.00 C ATOM 753 CD2 LEU A 53 -3.924 -7.536 2.096 1.00 0.00 C ATOM 0 H LEU A 53 -6.946 -4.091 0.720 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.565 -5.062 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.635 -6.410 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.606 -6.404 0.312 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.769 -8.490 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.158 -8.993 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.634 -8.227 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.141 -7.274 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.351 -8.463 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.302 -6.723 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.239 -7.311 3.115 1.00 0.00 H new ATOM 765 N VAL A 54 -2.944 -4.960 0.270 1.00 0.00 N ATOM 766 CA VAL A 54 -1.951 -4.901 -0.796 1.00 0.00 C ATOM 767 C VAL A 54 -1.428 -6.292 -1.137 1.00 0.00 C ATOM 768 O VAL A 54 -1.003 -7.040 -0.256 1.00 0.00 O ATOM 769 CB VAL A 54 -0.765 -3.999 -0.409 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.196 -3.849 -1.579 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.260 -2.640 0.062 1.00 0.00 C ATOM 0 H VAL A 54 -2.553 -4.936 1.212 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.448 -4.479 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.227 -4.469 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.028 -3.208 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.576 -4.829 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.327 -3.402 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.408 -2.016 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.823 -2.160 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.905 -2.769 0.931 1.00 0.00 H new ATOM 781 N VAL A 55 -1.463 -6.634 -2.421 1.00 0.00 N ATOM 782 CA VAL A 55 -0.991 -7.935 -2.879 1.00 0.00 C ATOM 783 C VAL A 55 0.375 -7.819 -3.547 1.00 0.00 C ATOM 784 O VAL A 55 1.159 -8.768 -3.548 1.00 0.00 O ATOM 785 CB VAL A 55 -1.982 -8.575 -3.869 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.126 -9.243 -3.123 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.508 -7.532 -4.845 1.00 0.00 C ATOM 0 H VAL A 55 -1.814 -6.028 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.909 -8.571 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.456 -9.341 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.816 -9.689 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.730 -10.019 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.654 -8.500 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.207 -8.001 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.019 -6.742 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.676 -7.104 -5.404 1.00 0.00 H new ATOM 797 N ALA A 56 0.653 -6.650 -4.114 1.00 0.00 N ATOM 798 CA ALA A 56 1.926 -6.410 -4.784 1.00 0.00 C ATOM 799 C ALA A 56 2.374 -4.963 -4.607 1.00 0.00 C ATOM 800 O ALA A 56 1.552 -4.066 -4.420 1.00 0.00 O ATOM 801 CB ALA A 56 1.818 -6.754 -6.262 1.00 0.00 C ATOM 0 H ALA A 56 0.015 -5.855 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 56 2.677 -7.055 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.775 -6.570 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.551 -7.805 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.050 -6.134 -6.725 1.00 0.00 H new ATOM 807 N VAL A 57 3.684 -4.742 -4.667 1.00 0.00 N ATOM 808 CA VAL A 57 4.241 -3.404 -4.514 1.00 0.00 C ATOM 809 C VAL A 57 5.373 -3.163 -5.507 1.00 0.00 C ATOM 810 O VAL A 57 6.361 -3.895 -5.526 1.00 0.00 O ATOM 811 CB VAL A 57 4.769 -3.176 -3.085 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.393 -1.794 -2.960 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.652 -3.359 -2.069 1.00 0.00 C ATOM 0 H VAL A 57 4.379 -5.473 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 57 3.433 -2.700 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 57 5.541 -3.917 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.760 -1.651 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.222 -1.704 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.644 -1.035 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.043 -3.194 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.856 -2.642 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.256 -4.372 -2.142 1.00 0.00 H new ATOM 823 N ASN A 58 5.221 -2.132 -6.331 1.00 0.00 N ATOM 824 CA ASN A 58 6.230 -1.794 -7.327 1.00 0.00 C ATOM 825 C ASN A 58 6.401 -2.927 -8.335 1.00 0.00 C ATOM 826 O ASN A 58 7.469 -3.094 -8.922 1.00 0.00 O ATOM 827 CB ASN A 58 7.568 -1.495 -6.647 1.00 0.00 C ATOM 828 CG ASN A 58 7.721 -0.029 -6.290 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.994 0.824 -6.799 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.670 0.269 -5.411 1.00 0.00 N ATOM 0 H ASN A 58 4.408 -1.516 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 58 5.894 -0.905 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.655 -2.097 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.382 -1.792 -7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.820 1.238 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.249 -0.471 -5.015 1.00 0.00 H new ATOM 837 N GLY A 59 5.339 -3.703 -8.530 1.00 0.00 N ATOM 838 CA GLY A 59 5.391 -4.810 -9.467 1.00 0.00 C ATOM 839 C GLY A 59 6.059 -6.036 -8.878 1.00 0.00 C ATOM 840 O GLY A 59 6.519 -6.913 -9.610 1.00 0.00 O ATOM 0 H GLY A 59 4.444 -3.585 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.378 -5.066 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.931 -4.500 -10.362 1.00 0.00 H new ATOM 844 N LYS A 60 6.115 -6.099 -7.552 1.00 0.00 N ATOM 845 CA LYS A 60 6.732 -7.227 -6.864 1.00 0.00 C ATOM 846 C LYS A 60 5.793 -7.800 -5.808 1.00 0.00 C ATOM 847 O LYS A 60 5.231 -7.063 -4.998 1.00 0.00 O ATOM 848 CB LYS A 60 8.048 -6.794 -6.212 1.00 0.00 C ATOM 849 CG LYS A 60 9.077 -6.278 -7.202 1.00 0.00 C ATOM 850 CD LYS A 60 9.978 -7.395 -7.703 1.00 0.00 C ATOM 851 CE LYS A 60 9.441 -8.012 -8.984 1.00 0.00 C ATOM 852 NZ LYS A 60 9.976 -7.331 -10.196 1.00 0.00 N ATOM 0 H LYS A 60 5.740 -5.381 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 60 6.937 -8.003 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.841 -6.016 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.470 -7.640 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.569 -5.812 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.683 -5.505 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.980 -7.004 -7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.066 -8.165 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.704 -9.069 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.353 -7.954 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.586 -7.782 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.703 -6.328 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.013 -7.408 -10.208 1.00 0.00 H new ATOM 866 N SER A 61 5.629 -9.119 -5.823 1.00 0.00 N ATOM 867 CA SER A 61 4.755 -9.791 -4.867 1.00 0.00 C ATOM 868 C SER A 61 5.200 -9.510 -3.435 1.00 0.00 C ATOM 869 O SER A 61 6.354 -9.739 -3.075 1.00 0.00 O ATOM 870 CB SER A 61 4.747 -11.299 -5.125 1.00 0.00 C ATOM 871 OG SER A 61 4.391 -12.014 -3.954 1.00 0.00 O ATOM 0 H SER A 61 6.089 -9.743 -6.486 1.00 0.00 H new ATOM 0 HA SER A 61 3.745 -9.402 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.043 -11.531 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.732 -11.618 -5.465 1.00 0.00 H new ATOM 0 HG SER A 61 3.698 -11.521 -3.468 1.00 0.00 H new ATOM 877 N VAL A 62 4.273 -9.013 -2.621 1.00 0.00 N ATOM 878 CA VAL A 62 4.567 -8.702 -1.228 1.00 0.00 C ATOM 879 C VAL A 62 3.676 -9.503 -0.286 1.00 0.00 C ATOM 880 O VAL A 62 4.019 -9.717 0.877 1.00 0.00 O ATOM 881 CB VAL A 62 4.383 -7.200 -0.937 1.00 0.00 C ATOM 882 CG1 VAL A 62 4.965 -6.363 -2.066 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.913 -6.875 -0.725 1.00 0.00 C ATOM 0 H VAL A 62 3.312 -8.817 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 62 5.609 -8.973 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 62 4.921 -6.956 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.826 -5.305 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.029 -6.576 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.457 -6.607 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.802 -5.810 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.350 -7.133 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.532 -7.448 0.120 1.00 0.00 H new ATOM 893 N GLU A 63 2.531 -9.945 -0.796 1.00 0.00 N ATOM 894 CA GLU A 63 1.590 -10.723 0.001 1.00 0.00 C ATOM 895 C GLU A 63 2.259 -11.974 0.564 1.00 0.00 C ATOM 896 O GLU A 63 1.723 -12.628 1.458 1.00 0.00 O ATOM 897 CB GLU A 63 0.376 -11.116 -0.843 1.00 0.00 C ATOM 898 CG GLU A 63 0.643 -12.270 -1.794 1.00 0.00 C ATOM 899 CD GLU A 63 1.344 -11.828 -3.064 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.319 -11.055 -2.967 1.00 0.00 O ATOM 901 OE2 GLU A 63 0.915 -12.257 -4.157 1.00 0.00 O ATOM 0 H GLU A 63 2.233 -9.778 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 63 1.259 -10.103 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.445 -11.386 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.049 -10.250 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.253 -13.019 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.301 -12.749 -2.052 1.00 0.00 H new ATOM 908 N ALA A 64 3.432 -12.300 0.033 1.00 0.00 N ATOM 909 CA ALA A 64 4.175 -13.471 0.482 1.00 0.00 C ATOM 910 C ALA A 64 5.157 -13.106 1.590 1.00 0.00 C ATOM 911 O ALA A 64 5.571 -13.962 2.374 1.00 0.00 O ATOM 912 CB ALA A 64 4.909 -14.111 -0.687 1.00 0.00 C ATOM 0 H ALA A 64 3.889 -11.770 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 64 3.462 -14.190 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.460 -14.984 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.188 -14.417 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.606 -13.391 -1.117 1.00 0.00 H new ATOM 918 N LEU A 65 5.528 -11.832 1.650 1.00 0.00 N ATOM 919 CA LEU A 65 6.463 -11.353 2.663 1.00 0.00 C ATOM 920 C LEU A 65 5.752 -11.116 3.991 1.00 0.00 C ATOM 921 O LEU A 65 4.546 -11.332 4.109 1.00 0.00 O ATOM 922 CB LEU A 65 7.137 -10.063 2.194 1.00 0.00 C ATOM 923 CG LEU A 65 8.322 -10.232 1.243 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.464 -9.014 0.344 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.605 -10.470 2.027 1.00 0.00 C ATOM 0 H LEU A 65 5.196 -11.111 1.009 1.00 0.00 H new ATOM 0 HA LEU A 65 7.224 -12.119 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.387 -9.443 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.477 -9.514 3.072 1.00 0.00 H new ATOM 0 HG LEU A 65 8.136 -11.103 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.313 -9.153 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.555 -8.888 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.626 -8.127 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.438 -10.588 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.795 -9.619 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.502 -11.374 2.628 1.00 0.00 H new ATOM 937 N ASP A 66 6.507 -10.667 4.988 1.00 0.00 N ATOM 938 CA ASP A 66 5.949 -10.397 6.308 1.00 0.00 C ATOM 939 C ASP A 66 5.866 -8.895 6.565 1.00 0.00 C ATOM 940 O ASP A 66 6.406 -8.093 5.803 1.00 0.00 O ATOM 941 CB ASP A 66 6.796 -11.066 7.391 1.00 0.00 C ATOM 942 CG ASP A 66 8.054 -10.281 7.709 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.891 -10.106 6.799 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.200 -9.841 8.868 1.00 0.00 O ATOM 0 H ASP A 66 7.507 -10.482 4.907 1.00 0.00 H new ATOM 0 HA ASP A 66 4.941 -10.810 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.201 -11.176 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.070 -12.070 7.066 1.00 0.00 H new ATOM 949 N HIS A 67 5.184 -8.521 7.643 1.00 0.00 N ATOM 950 CA HIS A 67 5.030 -7.116 8.001 1.00 0.00 C ATOM 951 C HIS A 67 6.281 -6.322 7.637 1.00 0.00 C ATOM 952 O HIS A 67 6.199 -5.279 6.988 1.00 0.00 O ATOM 953 CB HIS A 67 4.740 -6.977 9.496 1.00 0.00 C ATOM 954 CG HIS A 67 4.802 -5.564 9.989 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.772 -4.627 9.873 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.780 -4.969 10.698 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.323 -3.495 10.507 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.118 -3.728 10.996 1.00 0.00 N flip ATOM 0 H HIS A 67 4.729 -9.172 8.284 1.00 0.00 H new ATOM 0 HA HIS A 67 4.189 -6.713 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.750 -7.383 9.705 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.456 -7.580 10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.848 -5.444 10.968 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.866 -2.566 10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.546 -3.062 11.516 1.00 0.00 H new ATOM 967 N ASP A 68 7.436 -6.822 8.060 1.00 0.00 N ATOM 968 CA ASP A 68 8.705 -6.160 7.779 1.00 0.00 C ATOM 969 C ASP A 68 9.060 -6.272 6.300 1.00 0.00 C ATOM 970 O ASP A 68 9.399 -5.281 5.655 1.00 0.00 O ATOM 971 CB ASP A 68 9.821 -6.766 8.632 1.00 0.00 C ATOM 972 CG ASP A 68 9.693 -6.400 10.097 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.558 -6.418 10.617 1.00 0.00 O ATOM 974 OD2 ASP A 68 10.729 -6.096 10.725 1.00 0.00 O ATOM 0 H ASP A 68 7.520 -7.684 8.599 1.00 0.00 H new ATOM 0 HA ASP A 68 8.600 -5.105 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.805 -7.851 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.786 -6.425 8.258 1.00 0.00 H new ATOM 979 N GLY A 69 8.981 -7.488 5.768 1.00 0.00 N ATOM 980 CA GLY A 69 9.299 -7.708 4.369 1.00 0.00 C ATOM 981 C GLY A 69 8.601 -6.721 3.454 1.00 0.00 C ATOM 982 O GLY A 69 9.250 -6.005 2.691 1.00 0.00 O ATOM 0 H GLY A 69 8.702 -8.325 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.377 -7.630 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.014 -8.722 4.090 1.00 0.00 H new ATOM 986 N VAL A 70 7.275 -6.683 3.529 1.00 0.00 N ATOM 987 CA VAL A 70 6.488 -5.777 2.700 1.00 0.00 C ATOM 988 C VAL A 70 6.845 -4.322 2.986 1.00 0.00 C ATOM 989 O VAL A 70 7.303 -3.599 2.101 1.00 0.00 O ATOM 990 CB VAL A 70 4.978 -5.978 2.927 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.174 -5.121 1.960 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.609 -7.446 2.784 1.00 0.00 C ATOM 0 H VAL A 70 6.723 -7.269 4.155 1.00 0.00 H new ATOM 0 HA VAL A 70 6.726 -6.009 1.662 1.00 0.00 H new ATOM 0 HB VAL A 70 4.736 -5.663 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.109 -5.276 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.418 -4.070 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.418 -5.402 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.538 -7.570 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.865 -7.790 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.159 -8.033 3.520 1.00 0.00 H new ATOM 1002 N VAL A 71 6.632 -3.899 4.228 1.00 0.00 N ATOM 1003 CA VAL A 71 6.932 -2.531 4.632 1.00 0.00 C ATOM 1004 C VAL A 71 8.309 -2.101 4.137 1.00 0.00 C ATOM 1005 O VAL A 71 8.570 -0.913 3.956 1.00 0.00 O ATOM 1006 CB VAL A 71 6.876 -2.372 6.163 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.228 -0.948 6.565 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.502 -2.760 6.688 1.00 0.00 C ATOM 0 H VAL A 71 6.253 -4.485 4.972 1.00 0.00 H new ATOM 0 HA VAL A 71 6.171 -1.894 4.180 1.00 0.00 H new ATOM 0 HB VAL A 71 7.612 -3.041 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.183 -0.855 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.235 -0.711 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.518 -0.256 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.480 -2.642 7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.746 -2.118 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.295 -3.799 6.432 1.00 0.00 H new ATOM 1018 N GLU A 72 9.184 -3.078 3.920 1.00 0.00 N ATOM 1019 CA GLU A 72 10.535 -2.800 3.447 1.00 0.00 C ATOM 1020 C GLU A 72 10.520 -2.364 1.984 1.00 0.00 C ATOM 1021 O GLU A 72 11.111 -1.347 1.623 1.00 0.00 O ATOM 1022 CB GLU A 72 11.422 -4.036 3.613 1.00 0.00 C ATOM 1023 CG GLU A 72 12.905 -3.714 3.692 1.00 0.00 C ATOM 1024 CD GLU A 72 13.287 -3.039 4.996 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.253 -3.714 6.046 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.619 -1.836 4.965 1.00 0.00 O ATOM 0 H GLU A 72 8.982 -4.067 4.064 1.00 0.00 H new ATOM 0 HA GLU A 72 10.942 -1.986 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.125 -4.567 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.250 -4.712 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.479 -4.634 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.177 -3.066 2.859 1.00 0.00 H new ATOM 1033 N MET A 73 9.840 -3.142 1.148 1.00 0.00 N ATOM 1034 CA MET A 73 9.747 -2.836 -0.275 1.00 0.00 C ATOM 1035 C MET A 73 9.431 -1.360 -0.494 1.00 0.00 C ATOM 1036 O MET A 73 9.981 -0.725 -1.394 1.00 0.00 O ATOM 1037 CB MET A 73 8.674 -3.704 -0.936 1.00 0.00 C ATOM 1038 CG MET A 73 8.914 -5.196 -0.772 1.00 0.00 C ATOM 1039 SD MET A 73 10.224 -5.811 -1.847 1.00 0.00 S ATOM 1040 CE MET A 73 9.263 -6.596 -3.138 1.00 0.00 C ATOM 0 H MET A 73 9.346 -3.988 1.431 1.00 0.00 H new ATOM 0 HA MET A 73 10.712 -3.054 -0.732 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.702 -3.452 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.630 -3.466 -1.999 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.172 -5.407 0.266 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.991 -5.734 -0.986 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.810 -6.548 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.084 -7.639 -2.875 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.309 -6.080 -3.246 1.00 0.00 H new ATOM 1050 N ILE A 74 8.541 -0.821 0.333 1.00 0.00 N ATOM 1051 CA ILE A 74 8.153 0.580 0.228 1.00 0.00 C ATOM 1052 C ILE A 74 9.334 1.500 0.515 1.00 0.00 C ATOM 1053 O ILE A 74 9.532 2.504 -0.170 1.00 0.00 O ATOM 1054 CB ILE A 74 7.005 0.919 1.197 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.722 0.203 0.773 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.785 2.424 1.251 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.770 -0.061 1.919 1.00 0.00 C ATOM 0 H ILE A 74 8.076 -1.333 1.082 1.00 0.00 H new ATOM 0 HA ILE A 74 7.813 0.738 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 74 7.278 0.575 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.213 0.803 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.983 -0.745 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.971 2.648 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.696 2.913 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.530 2.790 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.882 -0.571 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.262 -0.687 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.479 0.885 2.376 1.00 0.00 H new ATOM 1069 N ARG A 75 10.118 1.151 1.530 1.00 0.00 N ATOM 1070 CA ARG A 75 11.280 1.945 1.907 1.00 0.00 C ATOM 1071 C ARG A 75 12.362 1.869 0.833 1.00 0.00 C ATOM 1072 O ARG A 75 12.901 2.890 0.406 1.00 0.00 O ATOM 1073 CB ARG A 75 11.841 1.464 3.246 1.00 0.00 C ATOM 1074 CG ARG A 75 11.063 1.969 4.450 1.00 0.00 C ATOM 1075 CD ARG A 75 11.647 1.444 5.752 1.00 0.00 C ATOM 1076 NE ARG A 75 12.880 2.135 6.116 1.00 0.00 N ATOM 1077 CZ ARG A 75 13.666 1.757 7.119 1.00 0.00 C ATOM 1078 NH1 ARG A 75 13.347 0.700 7.853 1.00 0.00 N ATOM 1079 NH2 ARG A 75 14.773 2.438 7.389 1.00 0.00 N ATOM 0 H ARG A 75 9.969 0.323 2.106 1.00 0.00 H new ATOM 0 HA ARG A 75 10.962 2.983 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.845 0.374 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.878 1.787 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.072 3.059 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.021 1.660 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.915 1.563 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.844 0.376 5.656 1.00 0.00 H new ATOM 0 HE ARG A 75 13.153 2.953 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.497 0.175 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.952 0.412 8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.021 3.252 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.376 2.147 8.159 1.00 0.00 H new ATOM 1093 N LYS A 76 12.675 0.652 0.402 1.00 0.00 N ATOM 1094 CA LYS A 76 13.692 0.441 -0.622 1.00 0.00 C ATOM 1095 C LYS A 76 13.387 1.264 -1.869 1.00 0.00 C ATOM 1096 O LYS A 76 14.295 1.758 -2.536 1.00 0.00 O ATOM 1097 CB LYS A 76 13.778 -1.043 -0.986 1.00 0.00 C ATOM 1098 CG LYS A 76 14.194 -1.931 0.175 1.00 0.00 C ATOM 1099 CD LYS A 76 13.698 -3.355 -0.007 1.00 0.00 C ATOM 1100 CE LYS A 76 14.668 -4.182 -0.836 1.00 0.00 C ATOM 1101 NZ LYS A 76 14.317 -5.629 -0.822 1.00 0.00 N ATOM 0 H LYS A 76 12.239 -0.204 0.746 1.00 0.00 H new ATOM 0 HA LYS A 76 14.651 0.766 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.808 -1.374 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.490 -1.168 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.280 -1.932 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.799 -1.523 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.562 -3.822 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.722 -3.342 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.669 -3.819 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.679 -4.050 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.002 -6.158 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.341 -5.983 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.362 -5.758 -1.213 1.00 0.00 H new ATOM 1115 N GLY A 77 12.101 1.408 -2.178 1.00 0.00 N ATOM 1116 CA GLY A 77 11.700 2.173 -3.344 1.00 0.00 C ATOM 1117 C GLY A 77 12.471 3.471 -3.480 1.00 0.00 C ATOM 1118 O GLY A 77 12.781 3.904 -4.588 1.00 0.00 O ATOM 0 H GLY A 77 11.331 1.009 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.850 1.570 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.634 2.392 -3.282 1.00 0.00 H new ATOM 1122 N GLY A 78 12.781 4.095 -2.347 1.00 0.00 N ATOM 1123 CA GLY A 78 13.516 5.346 -2.366 1.00 0.00 C ATOM 1124 C GLY A 78 12.680 6.518 -1.892 1.00 0.00 C ATOM 1125 O GLY A 78 12.772 6.928 -0.735 1.00 0.00 O ATOM 0 H GLY A 78 12.536 3.756 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.399 5.254 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.868 5.541 -3.379 1.00 0.00 H new ATOM 1129 N ASP A 79 11.862 7.059 -2.788 1.00 0.00 N ATOM 1130 CA ASP A 79 11.006 8.192 -2.456 1.00 0.00 C ATOM 1131 C ASP A 79 9.546 7.880 -2.770 1.00 0.00 C ATOM 1132 O ASP A 79 8.660 8.123 -1.951 1.00 0.00 O ATOM 1133 CB ASP A 79 11.451 9.438 -3.224 1.00 0.00 C ATOM 1134 CG ASP A 79 11.948 9.111 -4.619 1.00 0.00 C ATOM 1135 OD1 ASP A 79 11.107 8.985 -5.533 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.177 8.981 -4.796 1.00 0.00 O ATOM 0 H ASP A 79 11.774 6.731 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 79 11.096 8.383 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.617 10.136 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.242 9.941 -2.668 1.00 0.00 H new ATOM 1141 N GLN A 80 9.304 7.342 -3.961 1.00 0.00 N ATOM 1142 CA GLN A 80 7.951 6.998 -4.383 1.00 0.00 C ATOM 1143 C GLN A 80 7.843 5.513 -4.710 1.00 0.00 C ATOM 1144 O GLN A 80 8.805 4.895 -5.169 1.00 0.00 O ATOM 1145 CB GLN A 80 7.548 7.832 -5.601 1.00 0.00 C ATOM 1146 CG GLN A 80 8.064 7.275 -6.917 1.00 0.00 C ATOM 1147 CD GLN A 80 7.423 7.935 -8.122 1.00 0.00 C ATOM 1148 OE1 GLN A 80 6.914 7.260 -9.017 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.445 9.263 -8.151 1.00 0.00 N ATOM 0 H GLN A 80 10.027 7.135 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 80 7.273 7.219 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.461 7.895 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.921 8.848 -5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.144 7.410 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.875 6.202 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.878 9.783 -7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.029 9.763 -8.937 1.00 0.00 H new ATOM 1158 N THR A 81 6.666 4.943 -4.471 1.00 0.00 N ATOM 1159 CA THR A 81 6.433 3.529 -4.739 1.00 0.00 C ATOM 1160 C THR A 81 4.994 3.283 -5.176 1.00 0.00 C ATOM 1161 O THR A 81 4.099 4.076 -4.879 1.00 0.00 O ATOM 1162 CB THR A 81 6.737 2.666 -3.500 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.314 1.316 -3.728 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.036 3.220 -2.269 1.00 0.00 C ATOM 0 H THR A 81 5.859 5.439 -4.092 1.00 0.00 H new ATOM 0 HA THR A 81 7.108 3.244 -5.546 1.00 0.00 H new ATOM 0 HB THR A 81 7.813 2.686 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.512 0.773 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.266 2.594 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.380 4.237 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.959 3.227 -2.436 1.00 0.00 H new ATOM 1172 N THR A 82 4.775 2.178 -5.882 1.00 0.00 N ATOM 1173 CA THR A 82 3.444 1.827 -6.361 1.00 0.00 C ATOM 1174 C THR A 82 2.841 0.700 -5.530 1.00 0.00 C ATOM 1175 O THR A 82 3.474 -0.334 -5.314 1.00 0.00 O ATOM 1176 CB THR A 82 3.473 1.400 -7.840 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.208 2.357 -8.612 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.063 1.269 -8.394 1.00 0.00 C ATOM 0 H THR A 82 5.503 1.510 -6.135 1.00 0.00 H new ATOM 0 HA THR A 82 2.827 2.720 -6.261 1.00 0.00 H new ATOM 0 HB THR A 82 3.963 0.428 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.223 2.077 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.110 0.966 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.516 0.518 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.551 2.228 -8.316 1.00 0.00 H new ATOM 1186 N LEU A 83 1.613 0.906 -5.066 1.00 0.00 N ATOM 1187 CA LEU A 83 0.923 -0.094 -4.259 1.00 0.00 C ATOM 1188 C LEU A 83 -0.284 -0.657 -5.004 1.00 0.00 C ATOM 1189 O LEU A 83 -1.066 0.089 -5.594 1.00 0.00 O ATOM 1190 CB LEU A 83 0.476 0.515 -2.929 1.00 0.00 C ATOM 1191 CG LEU A 83 1.371 1.617 -2.361 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.871 2.061 -0.995 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.814 1.141 -2.274 1.00 0.00 C ATOM 0 H LEU A 83 1.075 1.756 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 83 1.619 -0.910 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.528 0.920 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.406 -0.285 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 83 1.332 2.473 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.521 2.846 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.145 2.444 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.879 1.212 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.436 1.938 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.871 0.269 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.170 0.875 -3.269 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.429 -1.977 -4.971 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.542 -2.641 -5.641 1.00 0.00 C ATOM 1207 C LEU A 84 -2.513 -3.235 -4.626 1.00 0.00 C ATOM 1208 O LEU A 84 -2.257 -4.294 -4.052 1.00 0.00 O ATOM 1209 CB LEU A 84 -1.021 -3.740 -6.570 1.00 0.00 C ATOM 1210 CG LEU A 84 -2.085 -4.596 -7.259 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.893 -3.757 -8.237 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.440 -5.776 -7.971 1.00 0.00 C ATOM 0 H LEU A 84 0.210 -2.609 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.075 -1.896 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.403 -3.276 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.371 -4.398 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.763 -4.983 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.645 -4.382 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.385 -2.946 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.229 -3.341 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.211 -6.374 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.740 -5.410 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.906 -6.391 -7.246 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.629 -2.547 -4.409 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.641 -3.008 -3.466 1.00 0.00 C ATOM 1226 C VAL A 85 -5.822 -3.641 -4.192 1.00 0.00 C ATOM 1227 O VAL A 85 -6.118 -3.297 -5.338 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.153 -1.854 -2.583 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.994 -0.990 -2.110 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.177 -1.021 -3.338 1.00 0.00 C ATOM 0 H VAL A 85 -3.855 -1.668 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.165 -3.757 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.640 -2.278 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.374 -0.180 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.300 -1.598 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.476 -0.572 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.528 -0.210 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.717 -0.604 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.020 -1.651 -3.622 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.496 -4.567 -3.520 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.648 -5.248 -4.101 1.00 0.00 C ATOM 1242 C LEU A 86 -8.938 -4.495 -3.794 1.00 0.00 C ATOM 1243 O LEU A 86 -9.149 -4.037 -2.671 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.741 -6.680 -3.569 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.373 -7.706 -4.510 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.715 -7.205 -5.021 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.438 -8.012 -5.671 1.00 0.00 C ATOM 0 H LEU A 86 -6.265 -4.864 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.514 -5.276 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.736 -7.019 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.314 -6.665 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.541 -8.628 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.150 -7.948 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.386 -7.038 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.572 -6.270 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.904 -8.744 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.238 -7.097 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.501 -8.415 -5.287 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.799 -4.373 -4.798 1.00 0.00 N ATOM 1260 CA ASP A 87 -11.071 -3.679 -4.635 1.00 0.00 C ATOM 1261 C ASP A 87 -12.215 -4.673 -4.459 1.00 0.00 C ATOM 1262 O ASP A 87 -13.091 -4.486 -3.615 1.00 0.00 O ATOM 1263 CB ASP A 87 -11.343 -2.778 -5.840 1.00 0.00 C ATOM 1264 CG ASP A 87 -12.632 -1.993 -5.698 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -13.031 -1.710 -4.548 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -13.243 -1.662 -6.735 1.00 0.00 O ATOM 0 H ASP A 87 -9.639 -4.746 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.008 -3.063 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.511 -2.085 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.390 -3.388 -6.742 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.201 -5.731 -5.263 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.235 -6.756 -5.198 1.00 0.00 C ATOM 1273 C LYS A 88 -13.131 -7.553 -3.901 1.00 0.00 C ATOM 1274 O LYS A 88 -12.049 -7.687 -3.331 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.125 -7.699 -6.398 1.00 0.00 C ATOM 1276 CG LYS A 88 -13.111 -6.981 -7.736 1.00 0.00 C ATOM 1277 CD LYS A 88 -14.518 -6.765 -8.267 1.00 0.00 C ATOM 1278 CE LYS A 88 -14.506 -6.376 -9.738 1.00 0.00 C ATOM 1279 NZ LYS A 88 -14.126 -7.522 -10.611 1.00 0.00 N ATOM 0 H LYS A 88 -11.484 -5.901 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.205 -6.259 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.214 -8.290 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.962 -8.397 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.610 -6.019 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.535 -7.562 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.101 -7.676 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.011 -5.985 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.492 -6.012 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.806 -5.555 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.370 -7.303 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.102 -7.690 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.640 -8.374 -10.308 1.00 0.00 H new ATOM 1293 N GLU A 89 -14.263 -8.079 -3.442 1.00 0.00 N ATOM 1294 CA GLU A 89 -14.297 -8.863 -2.213 1.00 0.00 C ATOM 1295 C GLU A 89 -13.315 -8.306 -1.186 1.00 0.00 C ATOM 1296 O GLU A 89 -12.766 -9.047 -0.371 1.00 0.00 O ATOM 1297 CB GLU A 89 -13.968 -10.328 -2.507 1.00 0.00 C ATOM 1298 CG GLU A 89 -12.607 -10.529 -3.152 1.00 0.00 C ATOM 1299 CD GLU A 89 -12.045 -11.916 -2.910 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -11.726 -12.232 -1.745 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -11.925 -12.686 -3.886 1.00 0.00 O ATOM 0 H GLU A 89 -15.167 -7.976 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.304 -8.800 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.007 -10.894 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.736 -10.739 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.689 -10.357 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.911 -9.786 -2.762 1.00 0.00 H new ATOM 1308 N ALA A 90 -13.100 -6.995 -1.231 1.00 0.00 N ATOM 1309 CA ALA A 90 -12.187 -6.338 -0.305 1.00 0.00 C ATOM 1310 C ALA A 90 -12.880 -6.019 1.016 1.00 0.00 C ATOM 1311 O ALA A 90 -12.388 -6.373 2.086 1.00 0.00 O ATOM 1312 CB ALA A 90 -11.625 -5.069 -0.928 1.00 0.00 C ATOM 0 H ALA A 90 -13.546 -6.367 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.365 -7.023 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.945 -4.589 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.085 -5.320 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.442 -4.387 -1.165 1.00 0.00 H new ATOM 1318 N GLU A 91 -14.025 -5.349 0.931 1.00 0.00 N ATOM 1319 CA GLU A 91 -14.784 -4.982 2.120 1.00 0.00 C ATOM 1320 C GLU A 91 -14.831 -6.138 3.115 1.00 0.00 C ATOM 1321 O GLU A 91 -15.527 -7.130 2.898 1.00 0.00 O ATOM 1322 CB GLU A 91 -16.206 -4.566 1.737 1.00 0.00 C ATOM 1323 CG GLU A 91 -16.330 -3.101 1.355 1.00 0.00 C ATOM 1324 CD GLU A 91 -16.051 -2.856 -0.115 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -16.865 -3.294 -0.954 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -15.019 -2.225 -0.426 1.00 0.00 O ATOM 0 H GLU A 91 -14.447 -5.050 0.052 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.282 -4.139 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.543 -5.180 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.874 -4.772 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.334 -2.751 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.636 -2.513 1.956 1.00 0.00 H new ATOM 1333 N SER A 92 -14.084 -6.003 4.206 1.00 0.00 N ATOM 1334 CA SER A 92 -14.036 -7.038 5.232 1.00 0.00 C ATOM 1335 C SER A 92 -14.936 -6.677 6.410 1.00 0.00 C ATOM 1336 O SER A 92 -14.514 -5.988 7.339 1.00 0.00 O ATOM 1337 CB SER A 92 -12.599 -7.239 5.717 1.00 0.00 C ATOM 1338 OG SER A 92 -12.398 -8.562 6.183 1.00 0.00 O ATOM 0 H SER A 92 -13.504 -5.187 4.402 1.00 0.00 H new ATOM 0 HA SER A 92 -14.397 -7.968 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.905 -7.027 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.379 -6.531 6.516 1.00 0.00 H new ATOM 0 HG SER A 92 -11.472 -8.665 6.486 1.00 0.00 H new ATOM 1344 N ILE A 93 -16.178 -7.148 6.363 1.00 0.00 N ATOM 1345 CA ILE A 93 -17.138 -6.877 7.426 1.00 0.00 C ATOM 1346 C ILE A 93 -16.860 -7.741 8.651 1.00 0.00 C ATOM 1347 O ILE A 93 -16.252 -8.806 8.548 1.00 0.00 O ATOM 1348 CB ILE A 93 -18.583 -7.123 6.955 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -18.758 -8.577 6.513 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -18.940 -6.173 5.822 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -19.179 -9.503 7.634 1.00 0.00 C ATOM 0 H ILE A 93 -16.543 -7.719 5.600 1.00 0.00 H new ATOM 0 HA ILE A 93 -17.026 -5.826 7.693 1.00 0.00 H new ATOM 0 HB ILE A 93 -19.258 -6.933 7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -19.503 -8.620 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -17.820 -8.935 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -19.965 -6.359 5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -18.850 -5.143 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -18.261 -6.334 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -19.284 -10.517 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -18.424 -9.490 8.420 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -20.133 -9.170 8.042 1.00 0.00 H new ATOM 1363 N TYR A 94 -17.311 -7.275 9.811 1.00 0.00 N ATOM 1364 CA TYR A 94 -17.111 -8.005 11.057 1.00 0.00 C ATOM 1365 C TYR A 94 -18.117 -7.562 12.115 1.00 0.00 C ATOM 1366 O TYR A 94 -18.261 -6.372 12.391 1.00 0.00 O ATOM 1367 CB TYR A 94 -15.686 -7.794 11.573 1.00 0.00 C ATOM 1368 CG TYR A 94 -14.699 -8.817 11.059 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -14.568 -10.056 11.674 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -13.897 -8.546 9.957 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -13.667 -10.993 11.208 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -12.994 -9.478 9.483 1.00 0.00 C ATOM 1373 CZ TYR A 94 -12.882 -10.700 10.113 1.00 0.00 C ATOM 1374 OH TYR A 94 -11.984 -11.631 9.645 1.00 0.00 O ATOM 0 H TYR A 94 -17.817 -6.395 9.914 1.00 0.00 H new ATOM 0 HA TYR A 94 -17.265 -9.065 10.856 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.348 -6.799 11.285 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -15.695 -7.825 12.663 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.181 -10.290 12.531 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.981 -7.590 9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -13.578 -11.951 11.699 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.379 -9.251 8.624 1.00 0.00 H new ATOM 0 HH TYR A 94 -11.511 -11.267 8.867 1.00 0.00 H new ATOM 1384 N SER A 95 -18.811 -8.531 12.705 1.00 0.00 N ATOM 1385 CA SER A 95 -19.806 -8.243 13.730 1.00 0.00 C ATOM 1386 C SER A 95 -19.154 -8.133 15.105 1.00 0.00 C ATOM 1387 O SER A 95 -18.530 -9.080 15.587 1.00 0.00 O ATOM 1388 CB SER A 95 -20.881 -9.332 13.749 1.00 0.00 C ATOM 1389 OG SER A 95 -20.301 -10.618 13.884 1.00 0.00 O ATOM 0 H SER A 95 -18.702 -9.522 12.490 1.00 0.00 H new ATOM 0 HA SER A 95 -20.272 -7.287 13.490 1.00 0.00 H new ATOM 0 HB2 SER A 95 -21.571 -9.152 14.574 1.00 0.00 H new ATOM 0 HB3 SER A 95 -21.465 -9.287 12.830 1.00 0.00 H new ATOM 0 HG SER A 95 -19.472 -10.550 14.402 1.00 0.00 H new ATOM 1395 N LEU A 96 -19.302 -6.972 15.732 1.00 0.00 N ATOM 1396 CA LEU A 96 -18.728 -6.736 17.052 1.00 0.00 C ATOM 1397 C LEU A 96 -19.731 -7.073 18.151 1.00 0.00 C ATOM 1398 O LEU A 96 -20.733 -6.378 18.324 1.00 0.00 O ATOM 1399 CB LEU A 96 -18.281 -5.279 17.183 1.00 0.00 C ATOM 1400 CG LEU A 96 -17.077 -4.868 16.335 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -17.516 -4.508 14.924 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -16.343 -3.701 16.980 1.00 0.00 C ATOM 0 H LEU A 96 -19.815 -6.179 15.348 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.861 -7.387 17.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -19.122 -4.637 16.920 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.046 -5.084 18.230 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.393 -5.714 16.277 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.646 -4.218 14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.996 -5.370 14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.221 -3.677 14.963 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.489 -3.422 16.363 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.019 -2.851 17.070 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.994 -3.993 17.971 1.00 0.00 H new ATOM 1414 N SER A 97 -19.455 -8.141 18.891 1.00 0.00 N ATOM 1415 CA SER A 97 -20.334 -8.571 19.972 1.00 0.00 C ATOM 1416 C SER A 97 -19.543 -8.805 21.255 1.00 0.00 C ATOM 1417 O SER A 97 -18.403 -9.267 21.220 1.00 0.00 O ATOM 1418 CB SER A 97 -21.076 -9.849 19.577 1.00 0.00 C ATOM 1419 OG SER A 97 -22.134 -9.567 18.678 1.00 0.00 O ATOM 0 H SER A 97 -18.629 -8.725 18.762 1.00 0.00 H new ATOM 0 HA SER A 97 -21.060 -7.779 20.153 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.380 -10.550 19.116 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.472 -10.334 20.469 1.00 0.00 H new ATOM 0 HG SER A 97 -22.591 -10.400 18.439 1.00 0.00 H new ATOM 1425 N GLY A 98 -20.157 -8.481 22.389 1.00 0.00 N ATOM 1426 CA GLY A 98 -19.497 -8.662 23.669 1.00 0.00 C ATOM 1427 C GLY A 98 -20.307 -8.107 24.823 1.00 0.00 C ATOM 1428 O GLY A 98 -21.008 -7.104 24.692 1.00 0.00 O ATOM 0 H GLY A 98 -21.100 -8.096 22.444 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -19.316 -9.724 23.834 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.523 -8.173 23.644 1.00 0.00 H new ATOM 1432 N PRO A 99 -20.218 -8.770 25.986 1.00 0.00 N ATOM 1433 CA PRO A 99 -20.943 -8.356 27.191 1.00 0.00 C ATOM 1434 C PRO A 99 -20.400 -7.057 27.777 1.00 0.00 C ATOM 1435 O PRO A 99 -19.188 -6.859 27.855 1.00 0.00 O ATOM 1436 CB PRO A 99 -20.712 -9.517 28.161 1.00 0.00 C ATOM 1437 CG PRO A 99 -19.437 -10.141 27.709 1.00 0.00 C ATOM 1438 CD PRO A 99 -19.402 -9.974 26.215 1.00 0.00 C ATOM 0 HA PRO A 99 -21.995 -8.157 26.985 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -20.637 -9.164 29.190 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -21.535 -10.230 28.128 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -18.579 -9.658 28.176 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -19.399 -11.195 27.985 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -18.383 -9.844 25.849 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -19.816 -10.843 25.704 1.00 0.00 H new ATOM 1446 N SER A 100 -21.305 -6.174 28.188 1.00 0.00 N ATOM 1447 CA SER A 100 -20.916 -4.892 28.764 1.00 0.00 C ATOM 1448 C SER A 100 -20.405 -5.070 30.190 1.00 0.00 C ATOM 1449 O SER A 100 -19.405 -4.470 30.582 1.00 0.00 O ATOM 1450 CB SER A 100 -22.100 -3.924 28.751 1.00 0.00 C ATOM 1451 OG SER A 100 -22.218 -3.278 27.495 1.00 0.00 O ATOM 0 H SER A 100 -22.313 -6.323 28.133 1.00 0.00 H new ATOM 0 HA SER A 100 -20.111 -4.478 28.158 1.00 0.00 H new ATOM 0 HB2 SER A 100 -23.019 -4.466 28.972 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.973 -3.179 29.536 1.00 0.00 H new ATOM 0 HG SER A 100 -22.983 -2.666 27.512 1.00 0.00 H new ATOM 1457 N SER A 101 -21.100 -5.900 30.962 1.00 0.00 N ATOM 1458 CA SER A 101 -20.720 -6.155 32.346 1.00 0.00 C ATOM 1459 C SER A 101 -20.569 -7.652 32.601 1.00 0.00 C ATOM 1460 O SER A 101 -21.094 -8.476 31.854 1.00 0.00 O ATOM 1461 CB SER A 101 -21.761 -5.566 33.300 1.00 0.00 C ATOM 1462 OG SER A 101 -21.923 -4.175 33.083 1.00 0.00 O ATOM 0 H SER A 101 -21.929 -6.407 30.652 1.00 0.00 H new ATOM 0 HA SER A 101 -19.759 -5.674 32.527 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.716 -6.073 33.159 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.455 -5.743 34.331 1.00 0.00 H new ATOM 0 HG SER A 101 -22.595 -3.823 33.704 1.00 0.00 H new ATOM 1468 N GLY A 102 -19.847 -7.995 33.663 1.00 0.00 N ATOM 1469 CA GLY A 102 -19.638 -9.392 33.999 1.00 0.00 C ATOM 1470 C GLY A 102 -20.024 -9.707 35.431 1.00 0.00 C ATOM 1471 O GLY A 102 -19.176 -9.706 36.323 1.00 0.00 O ATOM 0 H GLY A 102 -19.403 -7.331 34.297 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.222 -10.017 33.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -18.590 -9.647 33.844 1.00 0.00 H new TER 1475 GLY A 102