USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 66 ASN : amide:sc= -0.0212 X(o=-0.044,f=-0.15) USER MOD Set 1.2: A 67 HIS : no HD1:sc= -0.0225 X(o=-0.044,f=-0.1) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0357 USER MOD Set 2.2: A 25 MET CE :methyl -170:sc=-0.00759 (180deg=-0.0895) 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 8 SER OG : rot -160:sc= 0 USER MOD Single : A 12 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 19 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 23 MET CE :methyl -168:sc= -0.887 (180deg=-1.06) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= 0.545 (180deg=-0.0854) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00076 USER MOD Single : A 43 ASN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 1.19 (180deg=-0.145) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.03) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 168:sc= -1.84 (180deg=-2.56!) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= -0.235 (180deg=-0.308) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0608) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.226 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.052 0.181 13.643 1.00 0.00 N ATOM 2 CA GLY A 1 -15.831 -0.689 12.749 1.00 0.00 C ATOM 3 C GLY A 1 -15.938 -0.086 11.358 1.00 0.00 C ATOM 4 O GLY A 1 -16.836 0.718 11.091 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.994 -0.253 14.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.093 0.304 13.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.517 1.108 13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.359 -1.670 12.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.829 -0.840 13.161 1.00 0.00 H new ATOM 8 N SER A 2 -15.009 -0.419 10.464 1.00 0.00 N ATOM 9 CA SER A 2 -14.983 0.061 9.089 1.00 0.00 C ATOM 10 C SER A 2 -16.070 -0.701 8.329 1.00 0.00 C ATOM 11 O SER A 2 -16.054 -1.930 8.353 1.00 0.00 O ATOM 12 CB SER A 2 -13.596 -0.188 8.486 1.00 0.00 C ATOM 13 OG SER A 2 -12.561 0.212 9.373 1.00 0.00 O ATOM 0 H SER A 2 -14.235 -1.046 10.684 1.00 0.00 H new ATOM 0 HA SER A 2 -15.174 1.133 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.486 -1.247 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.503 0.358 7.547 1.00 0.00 H new ATOM 0 HG SER A 2 -11.690 0.038 8.959 1.00 0.00 H new ATOM 19 N SER A 3 -17.037 -0.022 7.706 1.00 0.00 N ATOM 20 CA SER A 3 -18.123 -0.661 6.963 1.00 0.00 C ATOM 21 C SER A 3 -17.599 -1.203 5.624 1.00 0.00 C ATOM 22 O SER A 3 -17.960 -0.692 4.560 1.00 0.00 O ATOM 23 CB SER A 3 -19.254 0.366 6.794 1.00 0.00 C ATOM 24 OG SER A 3 -20.479 -0.225 6.409 1.00 0.00 O ATOM 0 H SER A 3 -17.087 0.997 7.704 1.00 0.00 H new ATOM 0 HA SER A 3 -18.520 -1.520 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.394 0.903 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.961 1.103 6.046 1.00 0.00 H new ATOM 0 HG SER A 3 -21.163 0.471 6.317 1.00 0.00 H new ATOM 30 N GLY A 4 -16.770 -2.245 5.633 1.00 0.00 N ATOM 31 CA GLY A 4 -16.229 -2.791 4.403 1.00 0.00 C ATOM 32 C GLY A 4 -15.715 -4.213 4.531 1.00 0.00 C ATOM 33 O GLY A 4 -15.438 -4.712 5.627 1.00 0.00 O ATOM 0 H GLY A 4 -16.462 -2.723 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.002 -2.763 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.416 -2.151 4.061 1.00 0.00 H new ATOM 37 N SER A 5 -15.610 -4.853 3.371 1.00 0.00 N ATOM 38 CA SER A 5 -15.136 -6.195 3.108 1.00 0.00 C ATOM 39 C SER A 5 -14.792 -6.236 1.616 1.00 0.00 C ATOM 40 O SER A 5 -13.608 -6.234 1.270 1.00 0.00 O ATOM 41 CB SER A 5 -16.166 -7.237 3.564 1.00 0.00 C ATOM 42 OG SER A 5 -15.477 -8.365 4.052 1.00 0.00 O ATOM 0 H SER A 5 -15.886 -4.390 2.505 1.00 0.00 H new ATOM 0 HA SER A 5 -14.243 -6.450 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.808 -6.820 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.813 -7.519 2.733 1.00 0.00 H new ATOM 0 HG SER A 5 -16.123 -9.040 4.349 1.00 0.00 H new ATOM 48 N SER A 6 -15.793 -6.149 0.740 1.00 0.00 N ATOM 49 CA SER A 6 -15.631 -6.150 -0.707 1.00 0.00 C ATOM 50 C SER A 6 -15.116 -4.770 -1.135 1.00 0.00 C ATOM 51 O SER A 6 -15.902 -3.821 -1.232 1.00 0.00 O ATOM 52 CB SER A 6 -16.991 -6.473 -1.345 1.00 0.00 C ATOM 53 OG SER A 6 -17.529 -7.654 -0.777 1.00 0.00 O ATOM 0 H SER A 6 -16.768 -6.074 1.031 1.00 0.00 H new ATOM 0 HA SER A 6 -14.912 -6.901 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.679 -5.641 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.875 -6.598 -2.422 1.00 0.00 H new ATOM 0 HG SER A 6 -18.396 -7.850 -1.189 1.00 0.00 H new ATOM 59 N GLY A 7 -13.812 -4.585 -1.339 1.00 0.00 N ATOM 60 CA GLY A 7 -13.259 -3.289 -1.719 1.00 0.00 C ATOM 61 C GLY A 7 -11.744 -3.350 -1.860 1.00 0.00 C ATOM 62 O GLY A 7 -11.173 -4.436 -1.880 1.00 0.00 O ATOM 0 H GLY A 7 -13.115 -5.324 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.701 -2.966 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.526 -2.544 -0.970 1.00 0.00 H new ATOM 66 N SER A 8 -11.098 -2.187 -1.977 1.00 0.00 N ATOM 67 CA SER A 8 -9.649 -2.073 -2.128 1.00 0.00 C ATOM 68 C SER A 8 -9.099 -0.954 -1.258 1.00 0.00 C ATOM 69 O SER A 8 -9.822 -0.010 -0.920 1.00 0.00 O ATOM 70 CB SER A 8 -9.338 -1.767 -3.602 1.00 0.00 C ATOM 71 OG SER A 8 -7.953 -1.626 -3.857 1.00 0.00 O ATOM 0 H SER A 8 -11.576 -1.286 -1.969 1.00 0.00 H new ATOM 0 HA SER A 8 -9.182 -3.008 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.737 -2.567 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.851 -0.850 -3.893 1.00 0.00 H new ATOM 0 HG SER A 8 -7.823 -1.134 -4.695 1.00 0.00 H new ATOM 77 N VAL A 9 -7.819 -1.062 -0.896 1.00 0.00 N ATOM 78 CA VAL A 9 -7.139 -0.049 -0.109 1.00 0.00 C ATOM 79 C VAL A 9 -6.849 1.107 -1.064 1.00 0.00 C ATOM 80 O VAL A 9 -6.521 0.888 -2.236 1.00 0.00 O ATOM 81 CB VAL A 9 -5.813 -0.579 0.476 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.067 0.500 1.280 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.053 -1.767 1.408 1.00 0.00 C ATOM 0 H VAL A 9 -7.230 -1.857 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.760 0.255 0.734 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.210 -0.883 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.140 0.084 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.839 1.345 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.693 0.836 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.100 -2.117 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.697 -1.459 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.534 -2.573 0.854 1.00 0.00 H new ATOM 93 N VAL A 10 -6.968 2.327 -0.557 1.00 0.00 N ATOM 94 CA VAL A 10 -6.704 3.548 -1.290 1.00 0.00 C ATOM 95 C VAL A 10 -6.029 4.515 -0.320 1.00 0.00 C ATOM 96 O VAL A 10 -6.076 4.351 0.908 1.00 0.00 O ATOM 97 CB VAL A 10 -7.982 4.143 -1.926 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.761 3.119 -2.757 1.00 0.00 C ATOM 99 CG2 VAL A 10 -8.922 4.768 -0.900 1.00 0.00 C ATOM 0 H VAL A 10 -7.260 2.494 0.406 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.047 3.345 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.617 4.929 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.648 3.592 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.129 2.748 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.062 2.287 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.800 5.168 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.232 4.010 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.406 5.574 -0.377 1.00 0.00 H new ATOM 109 N ALA A 11 -5.382 5.522 -0.883 1.00 0.00 N ATOM 110 CA ALA A 11 -4.701 6.559 -0.142 1.00 0.00 C ATOM 111 C ALA A 11 -5.767 7.460 0.474 1.00 0.00 C ATOM 112 O ALA A 11 -6.626 7.993 -0.235 1.00 0.00 O ATOM 113 CB ALA A 11 -3.839 7.332 -1.125 1.00 0.00 C ATOM 0 H ALA A 11 -5.317 5.640 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.069 6.159 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.309 8.125 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.118 6.657 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.471 7.769 -1.898 1.00 0.00 H new ATOM 119 N LYS A 12 -5.767 7.597 1.799 1.00 0.00 N ATOM 120 CA LYS A 12 -6.747 8.446 2.474 1.00 0.00 C ATOM 121 C LYS A 12 -6.412 9.923 2.285 1.00 0.00 C ATOM 122 O LYS A 12 -7.301 10.757 2.438 1.00 0.00 O ATOM 123 CB LYS A 12 -6.814 8.075 3.963 1.00 0.00 C ATOM 124 CG LYS A 12 -8.053 8.635 4.676 1.00 0.00 C ATOM 125 CD LYS A 12 -8.205 8.026 6.077 1.00 0.00 C ATOM 126 CE LYS A 12 -9.478 8.513 6.769 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.329 9.890 7.271 1.00 0.00 N ATOM 0 H LYS A 12 -5.105 7.135 2.422 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.728 8.278 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.808 6.989 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.918 8.445 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.973 9.719 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.944 8.423 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.225 6.939 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.338 8.287 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.313 8.468 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.720 7.847 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.211 10.188 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.548 9.927 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.123 10.529 6.477 1.00 0.00 H new ATOM 141 N VAL A 13 -5.161 10.255 1.977 1.00 0.00 N ATOM 142 CA VAL A 13 -4.662 11.608 1.777 1.00 0.00 C ATOM 143 C VAL A 13 -3.590 11.581 0.685 1.00 0.00 C ATOM 144 O VAL A 13 -3.167 10.496 0.286 1.00 0.00 O ATOM 145 CB VAL A 13 -4.075 12.121 3.116 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.150 12.270 4.206 1.00 0.00 C ATOM 147 CG2 VAL A 13 -2.944 11.248 3.686 1.00 0.00 C ATOM 0 H VAL A 13 -4.433 9.551 1.855 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.463 12.278 1.464 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.659 13.094 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.689 12.632 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.907 12.981 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.617 11.303 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.590 11.677 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.318 10.240 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.121 11.207 2.972 1.00 0.00 H new ATOM 157 N LYS A 14 -3.170 12.743 0.171 1.00 0.00 N ATOM 158 CA LYS A 14 -2.119 12.813 -0.846 1.00 0.00 C ATOM 159 C LYS A 14 -0.814 12.508 -0.109 1.00 0.00 C ATOM 160 O LYS A 14 -0.420 13.291 0.758 1.00 0.00 O ATOM 161 CB LYS A 14 -2.124 14.191 -1.523 1.00 0.00 C ATOM 162 CG LYS A 14 -0.957 14.368 -2.509 1.00 0.00 C ATOM 163 CD LYS A 14 -1.108 15.686 -3.274 1.00 0.00 C ATOM 164 CE LYS A 14 0.098 15.931 -4.187 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.005 17.236 -4.872 1.00 0.00 N ATOM 0 H LYS A 14 -3.545 13.651 0.446 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.264 12.097 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.067 14.328 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.071 14.967 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.010 14.359 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.933 13.533 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.021 15.663 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.208 16.511 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.015 15.898 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.165 15.133 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.825 17.374 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.868 17.257 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.045 17.997 -4.165 1.00 0.00 H new ATOM 179 N ILE A 15 -0.177 11.383 -0.423 1.00 0.00 N ATOM 180 CA ILE A 15 1.056 10.918 0.202 1.00 0.00 C ATOM 181 C ILE A 15 2.209 11.141 -0.783 1.00 0.00 C ATOM 182 O ILE A 15 2.322 10.393 -1.756 1.00 0.00 O ATOM 183 CB ILE A 15 0.875 9.442 0.627 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.271 9.296 1.656 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.157 8.835 1.224 1.00 0.00 C ATOM 186 CD1 ILE A 15 -1.021 7.973 1.549 1.00 0.00 C ATOM 0 H ILE A 15 -0.518 10.748 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 15 1.295 11.475 1.108 1.00 0.00 H new ATOM 0 HB ILE A 15 0.630 8.897 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.140 9.391 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.976 10.116 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.972 7.798 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.957 8.874 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.452 9.403 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.810 7.940 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.462 7.884 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.328 7.148 1.714 1.00 0.00 H new ATOM 198 N PRO A 16 3.062 12.163 -0.586 1.00 0.00 N ATOM 199 CA PRO A 16 4.170 12.415 -1.493 1.00 0.00 C ATOM 200 C PRO A 16 5.205 11.292 -1.395 1.00 0.00 C ATOM 201 O PRO A 16 5.326 10.618 -0.365 1.00 0.00 O ATOM 202 CB PRO A 16 4.736 13.781 -1.092 1.00 0.00 C ATOM 203 CG PRO A 16 4.366 13.910 0.384 1.00 0.00 C ATOM 204 CD PRO A 16 3.061 13.120 0.509 1.00 0.00 C ATOM 0 HA PRO A 16 3.858 12.432 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.815 13.826 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.300 14.585 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.144 13.500 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.231 14.953 0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.004 12.611 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.197 13.782 0.447 1.00 0.00 H new ATOM 212 N GLU A 17 5.974 11.111 -2.468 1.00 0.00 N ATOM 213 CA GLU A 17 7.020 10.098 -2.555 1.00 0.00 C ATOM 214 C GLU A 17 7.978 10.186 -1.358 1.00 0.00 C ATOM 215 O GLU A 17 8.236 11.262 -0.805 1.00 0.00 O ATOM 216 CB GLU A 17 7.728 10.236 -3.912 1.00 0.00 C ATOM 217 CG GLU A 17 9.027 9.430 -4.071 1.00 0.00 C ATOM 218 CD GLU A 17 10.266 10.091 -3.453 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.478 11.321 -3.622 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.071 9.358 -2.837 1.00 0.00 O ATOM 0 H GLU A 17 5.885 11.674 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 17 6.584 9.100 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.034 9.931 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.953 11.289 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.889 8.449 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.210 9.266 -5.133 1.00 0.00 H new ATOM 227 N GLY A 18 8.504 9.035 -0.939 1.00 0.00 N ATOM 228 CA GLY A 18 9.437 8.930 0.167 1.00 0.00 C ATOM 229 C GLY A 18 8.772 8.882 1.545 1.00 0.00 C ATOM 230 O GLY A 18 9.464 8.678 2.542 1.00 0.00 O ATOM 0 H GLY A 18 8.285 8.137 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.040 8.032 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.119 9.779 0.134 1.00 0.00 H new ATOM 234 N THR A 19 7.448 9.021 1.627 1.00 0.00 N ATOM 235 CA THR A 19 6.726 9.007 2.895 1.00 0.00 C ATOM 236 C THR A 19 6.402 7.571 3.339 1.00 0.00 C ATOM 237 O THR A 19 6.114 6.705 2.509 1.00 0.00 O ATOM 238 CB THR A 19 5.455 9.855 2.716 1.00 0.00 C ATOM 239 OG1 THR A 19 5.793 11.124 2.188 1.00 0.00 O ATOM 240 CG2 THR A 19 4.712 10.090 4.027 1.00 0.00 C ATOM 0 H THR A 19 6.847 9.147 0.813 1.00 0.00 H new ATOM 0 HA THR A 19 7.343 9.431 3.687 1.00 0.00 H new ATOM 0 HB THR A 19 4.808 9.296 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.737 11.097 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.824 10.694 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.415 9.132 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.365 10.612 4.727 1.00 0.00 H new ATOM 248 N ILE A 20 6.435 7.323 4.650 1.00 0.00 N ATOM 249 CA ILE A 20 6.138 6.045 5.285 1.00 0.00 C ATOM 250 C ILE A 20 4.624 5.986 5.530 1.00 0.00 C ATOM 251 O ILE A 20 4.052 6.913 6.114 1.00 0.00 O ATOM 252 CB ILE A 20 6.931 5.920 6.608 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.464 5.935 6.389 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.514 4.663 7.391 1.00 0.00 C ATOM 255 CD1 ILE A 20 9.048 4.688 5.712 1.00 0.00 C ATOM 0 H ILE A 20 6.682 8.045 5.327 1.00 0.00 H new ATOM 0 HA ILE A 20 6.435 5.212 4.648 1.00 0.00 H new ATOM 0 HB ILE A 20 6.681 6.801 7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.719 6.807 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.950 6.063 7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.088 4.603 8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.451 4.717 7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.706 3.777 6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.127 4.803 5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.834 3.810 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.599 4.565 4.727 1.00 0.00 H new ATOM 267 N LEU A 21 3.985 4.890 5.115 1.00 0.00 N ATOM 268 CA LEU A 21 2.551 4.654 5.264 1.00 0.00 C ATOM 269 C LEU A 21 2.154 4.384 6.718 1.00 0.00 C ATOM 270 O LEU A 21 2.916 3.798 7.499 1.00 0.00 O ATOM 271 CB LEU A 21 2.117 3.457 4.398 1.00 0.00 C ATOM 272 CG LEU A 21 1.983 3.751 2.890 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.622 2.468 2.141 1.00 0.00 C ATOM 274 CD2 LEU A 21 0.893 4.785 2.604 1.00 0.00 C ATOM 0 H LEU A 21 4.468 4.120 4.652 1.00 0.00 H new ATOM 0 HA LEU A 21 2.046 5.563 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.839 2.652 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.159 3.091 4.767 1.00 0.00 H new ATOM 0 HG LEU A 21 2.943 4.145 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.529 2.682 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.404 1.725 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.675 2.081 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.832 4.962 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.066 4.412 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.134 5.718 3.113 1.00 0.00 H new ATOM 286 N THR A 22 0.921 4.753 7.062 1.00 0.00 N ATOM 287 CA THR A 22 0.293 4.593 8.369 1.00 0.00 C ATOM 288 C THR A 22 -1.198 4.317 8.131 1.00 0.00 C ATOM 289 O THR A 22 -1.703 4.605 7.042 1.00 0.00 O ATOM 290 CB THR A 22 0.493 5.858 9.231 1.00 0.00 C ATOM 291 OG1 THR A 22 0.018 7.001 8.557 1.00 0.00 O ATOM 292 CG2 THR A 22 1.962 6.116 9.579 1.00 0.00 C ATOM 0 H THR A 22 0.296 5.200 6.391 1.00 0.00 H new ATOM 0 HA THR A 22 0.748 3.765 8.913 1.00 0.00 H new ATOM 0 HB THR A 22 -0.066 5.676 10.149 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.152 7.792 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.039 7.018 10.186 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.358 5.268 10.138 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.536 6.246 8.661 1.00 0.00 H new ATOM 300 N MET A 23 -1.906 3.775 9.127 1.00 0.00 N ATOM 301 CA MET A 23 -3.334 3.495 9.014 1.00 0.00 C ATOM 302 C MET A 23 -4.081 4.808 8.792 1.00 0.00 C ATOM 303 O MET A 23 -5.000 4.859 7.987 1.00 0.00 O ATOM 304 CB MET A 23 -3.886 2.810 10.278 1.00 0.00 C ATOM 305 CG MET A 23 -3.491 1.337 10.399 1.00 0.00 C ATOM 306 SD MET A 23 -4.153 0.284 9.075 1.00 0.00 S ATOM 307 CE MET A 23 -3.371 -1.279 9.528 1.00 0.00 C ATOM 0 H MET A 23 -1.504 3.520 10.029 1.00 0.00 H new ATOM 0 HA MET A 23 -3.480 2.817 8.173 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.529 3.347 11.157 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.973 2.887 10.277 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.404 1.262 10.400 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.837 0.956 11.360 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.487 -1.994 8.713 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.310 -1.114 9.717 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.843 -1.674 10.428 1.00 0.00 H new ATOM 317 N ASP A 24 -3.658 5.884 9.458 1.00 0.00 N ATOM 318 CA ASP A 24 -4.260 7.217 9.371 1.00 0.00 C ATOM 319 C ASP A 24 -4.244 7.781 7.943 1.00 0.00 C ATOM 320 O ASP A 24 -5.062 8.623 7.588 1.00 0.00 O ATOM 321 CB ASP A 24 -3.486 8.147 10.314 1.00 0.00 C ATOM 322 CG ASP A 24 -4.304 9.336 10.826 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.168 9.890 10.115 1.00 0.00 O ATOM 324 OD2 ASP A 24 -4.047 9.722 11.986 1.00 0.00 O ATOM 0 H ASP A 24 -2.861 5.851 10.094 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.308 7.145 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.131 7.569 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.604 8.522 9.795 1.00 0.00 H new ATOM 329 N MET A 25 -3.327 7.303 7.097 1.00 0.00 N ATOM 330 CA MET A 25 -3.188 7.750 5.716 1.00 0.00 C ATOM 331 C MET A 25 -3.748 6.724 4.723 1.00 0.00 C ATOM 332 O MET A 25 -3.585 6.888 3.516 1.00 0.00 O ATOM 333 CB MET A 25 -1.721 8.132 5.454 1.00 0.00 C ATOM 334 CG MET A 25 -1.284 9.247 6.419 1.00 0.00 C ATOM 335 SD MET A 25 0.321 10.036 6.112 1.00 0.00 S ATOM 336 CE MET A 25 1.385 8.633 5.691 1.00 0.00 C ATOM 0 H MET A 25 -2.653 6.584 7.360 1.00 0.00 H new ATOM 0 HA MET A 25 -3.793 8.643 5.557 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.081 7.259 5.582 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.603 8.466 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.049 10.023 6.405 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.268 8.833 7.427 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.424 8.962 5.657 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.275 7.854 6.446 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.097 8.238 4.717 1.00 0.00 H new ATOM 346 N LEU A 26 -4.414 5.665 5.188 1.00 0.00 N ATOM 347 CA LEU A 26 -4.997 4.628 4.346 1.00 0.00 C ATOM 348 C LEU A 26 -6.469 4.470 4.697 1.00 0.00 C ATOM 349 O LEU A 26 -6.902 4.739 5.817 1.00 0.00 O ATOM 350 CB LEU A 26 -4.255 3.292 4.531 1.00 0.00 C ATOM 351 CG LEU A 26 -2.811 3.272 3.993 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.159 1.929 4.350 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.759 3.457 2.472 1.00 0.00 C ATOM 0 H LEU A 26 -4.564 5.504 6.184 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.901 4.921 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.235 3.048 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.823 2.506 4.034 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.275 4.102 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.137 1.909 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.148 1.807 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.729 1.117 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.722 3.436 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.312 2.652 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.206 4.415 2.206 1.00 0.00 H new ATOM 365 N THR A 27 -7.257 4.058 3.719 1.00 0.00 N ATOM 366 CA THR A 27 -8.684 3.827 3.851 1.00 0.00 C ATOM 367 C THR A 27 -9.031 2.709 2.871 1.00 0.00 C ATOM 368 O THR A 27 -8.169 2.256 2.107 1.00 0.00 O ATOM 369 CB THR A 27 -9.455 5.152 3.669 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.834 4.986 3.933 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.253 5.803 2.305 1.00 0.00 C ATOM 0 H THR A 27 -6.908 3.869 2.779 1.00 0.00 H new ATOM 0 HA THR A 27 -8.983 3.494 4.845 1.00 0.00 H new ATOM 0 HB THR A 27 -9.028 5.835 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.296 5.842 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.827 6.728 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.195 6.023 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.592 5.123 1.524 1.00 0.00 H new ATOM 379 N VAL A 28 -10.273 2.238 2.900 1.00 0.00 N ATOM 380 CA VAL A 28 -10.740 1.167 2.040 1.00 0.00 C ATOM 381 C VAL A 28 -12.015 1.637 1.365 1.00 0.00 C ATOM 382 O VAL A 28 -12.958 2.063 2.034 1.00 0.00 O ATOM 383 CB VAL A 28 -10.923 -0.125 2.852 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.379 -1.263 1.941 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.640 -0.540 3.593 1.00 0.00 C ATOM 0 H VAL A 28 -10.990 2.597 3.531 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.010 0.930 1.266 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.687 0.078 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.505 -2.172 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.328 -0.998 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.630 -1.432 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.823 -1.458 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.841 -0.707 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.346 0.251 4.283 1.00 0.00 H new ATOM 395 N LYS A 29 -12.022 1.631 0.033 1.00 0.00 N ATOM 396 CA LYS A 29 -13.170 2.046 -0.760 1.00 0.00 C ATOM 397 C LYS A 29 -13.991 0.813 -1.062 1.00 0.00 C ATOM 398 O LYS A 29 -13.491 -0.126 -1.688 1.00 0.00 O ATOM 399 CB LYS A 29 -12.719 2.740 -2.055 1.00 0.00 C ATOM 400 CG LYS A 29 -12.198 4.148 -1.749 1.00 0.00 C ATOM 401 CD LYS A 29 -13.298 5.194 -1.560 1.00 0.00 C ATOM 402 CE LYS A 29 -13.737 5.740 -2.916 1.00 0.00 C ATOM 403 NZ LYS A 29 -14.708 6.833 -2.760 1.00 0.00 N ATOM 0 H LYS A 29 -11.223 1.335 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.770 2.768 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.938 2.153 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.553 2.797 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.589 4.110 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.545 4.466 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.149 4.749 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.934 6.007 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.867 6.099 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.179 4.939 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.989 7.185 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.548 6.482 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.276 7.606 -2.216 1.00 0.00 H new ATOM 417 N VAL A 30 -15.218 0.793 -0.552 1.00 0.00 N ATOM 418 CA VAL A 30 -16.141 -0.304 -0.775 1.00 0.00 C ATOM 419 C VAL A 30 -16.465 -0.320 -2.273 1.00 0.00 C ATOM 420 O VAL A 30 -16.689 0.742 -2.865 1.00 0.00 O ATOM 421 CB VAL A 30 -17.370 -0.170 0.162 1.00 0.00 C ATOM 422 CG1 VAL A 30 -18.048 1.210 0.135 1.00 0.00 C ATOM 423 CG2 VAL A 30 -18.439 -1.225 -0.151 1.00 0.00 C ATOM 0 H VAL A 30 -15.597 1.541 0.029 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.713 -1.273 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.953 -0.319 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.896 1.212 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.333 1.973 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -18.396 1.425 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -19.284 -1.099 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -18.778 -1.106 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.016 -2.221 -0.022 1.00 0.00 H new ATOM 433 N GLY A 31 -16.471 -1.505 -2.880 1.00 0.00 N ATOM 434 CA GLY A 31 -16.759 -1.680 -4.287 1.00 0.00 C ATOM 435 C GLY A 31 -16.112 -2.950 -4.801 1.00 0.00 C ATOM 436 O GLY A 31 -16.719 -4.029 -4.755 1.00 0.00 O ATOM 0 H GLY A 31 -16.272 -2.379 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.837 -1.724 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.391 -0.822 -4.850 1.00 0.00 H new ATOM 440 N GLU A 32 -14.857 -2.854 -5.234 1.00 0.00 N ATOM 441 CA GLU A 32 -14.130 -3.992 -5.775 1.00 0.00 C ATOM 442 C GLU A 32 -12.630 -3.961 -5.426 1.00 0.00 C ATOM 443 O GLU A 32 -12.074 -2.882 -5.177 1.00 0.00 O ATOM 444 CB GLU A 32 -14.404 -4.069 -7.287 1.00 0.00 C ATOM 445 CG GLU A 32 -14.062 -2.799 -8.090 1.00 0.00 C ATOM 446 CD GLU A 32 -15.166 -1.734 -8.201 1.00 0.00 C ATOM 447 OE1 GLU A 32 -16.348 -1.968 -7.832 1.00 0.00 O ATOM 448 OE2 GLU A 32 -14.874 -0.695 -8.824 1.00 0.00 O ATOM 0 H GLU A 32 -14.320 -1.987 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.490 -4.908 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.835 -4.902 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.459 -4.299 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.186 -2.335 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.777 -3.100 -9.098 1.00 0.00 H new ATOM 455 N PRO A 33 -11.948 -5.123 -5.433 1.00 0.00 N ATOM 456 CA PRO A 33 -10.537 -5.264 -5.105 1.00 0.00 C ATOM 457 C PRO A 33 -9.644 -4.927 -6.302 1.00 0.00 C ATOM 458 O PRO A 33 -8.853 -5.739 -6.777 1.00 0.00 O ATOM 459 CB PRO A 33 -10.411 -6.708 -4.618 1.00 0.00 C ATOM 460 CG PRO A 33 -11.382 -7.462 -5.505 1.00 0.00 C ATOM 461 CD PRO A 33 -12.498 -6.443 -5.716 1.00 0.00 C ATOM 0 HA PRO A 33 -10.199 -4.566 -4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.393 -7.082 -4.727 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.673 -6.801 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.922 -7.761 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.747 -8.370 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.872 -6.491 -6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.341 -6.656 -5.058 1.00 0.00 H new ATOM 469 N LYS A 34 -9.790 -3.714 -6.831 1.00 0.00 N ATOM 470 CA LYS A 34 -9.028 -3.207 -7.977 1.00 0.00 C ATOM 471 C LYS A 34 -7.607 -2.750 -7.607 1.00 0.00 C ATOM 472 O LYS A 34 -6.968 -2.062 -8.403 1.00 0.00 O ATOM 473 CB LYS A 34 -9.820 -2.060 -8.625 1.00 0.00 C ATOM 474 CG LYS A 34 -10.003 -0.864 -7.668 1.00 0.00 C ATOM 475 CD LYS A 34 -10.340 0.435 -8.403 1.00 0.00 C ATOM 476 CE LYS A 34 -11.837 0.605 -8.676 1.00 0.00 C ATOM 477 NZ LYS A 34 -12.334 -0.268 -9.750 1.00 0.00 N ATOM 0 H LYS A 34 -10.459 -3.036 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.898 -4.027 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.303 -1.727 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.798 -2.427 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.798 -1.091 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.089 -0.723 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.987 1.281 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.800 0.460 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.392 0.397 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.036 1.644 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.572 0.307 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.599 -0.958 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.183 -0.772 -9.423 1.00 0.00 H new ATOM 491 N GLY A 35 -7.142 -3.039 -6.394 1.00 0.00 N ATOM 492 CA GLY A 35 -5.835 -2.663 -5.890 1.00 0.00 C ATOM 493 C GLY A 35 -5.430 -3.590 -4.750 1.00 0.00 C ATOM 494 O GLY A 35 -5.900 -4.731 -4.690 1.00 0.00 O ATOM 0 H GLY A 35 -7.692 -3.562 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.098 -2.715 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.854 -1.631 -5.541 1.00 0.00 H new ATOM 498 N TYR A 36 -4.548 -3.131 -3.860 1.00 0.00 N ATOM 499 CA TYR A 36 -4.071 -3.908 -2.716 1.00 0.00 C ATOM 500 C TYR A 36 -5.263 -4.300 -1.811 1.00 0.00 C ATOM 501 O TYR A 36 -6.174 -3.485 -1.608 1.00 0.00 O ATOM 502 CB TYR A 36 -3.005 -3.092 -1.964 1.00 0.00 C ATOM 503 CG TYR A 36 -2.144 -3.901 -1.015 1.00 0.00 C ATOM 504 CD1 TYR A 36 -2.617 -4.231 0.266 1.00 0.00 C ATOM 505 CD2 TYR A 36 -0.871 -4.344 -1.419 1.00 0.00 C ATOM 506 CE1 TYR A 36 -1.846 -5.032 1.118 1.00 0.00 C ATOM 507 CE2 TYR A 36 -0.074 -5.119 -0.557 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.573 -5.487 0.713 1.00 0.00 C ATOM 509 OH TYR A 36 0.165 -6.262 1.553 1.00 0.00 O ATOM 0 H TYR A 36 -4.140 -2.198 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.607 -4.836 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.359 -2.604 -2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.502 -2.303 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.579 -3.866 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.502 -4.086 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.228 -5.303 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.913 -5.431 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 36 1.015 -6.492 1.124 1.00 0.00 H new ATOM 519 N PRO A 37 -5.289 -5.520 -1.246 1.00 0.00 N ATOM 520 CA PRO A 37 -6.376 -5.996 -0.391 1.00 0.00 C ATOM 521 C PRO A 37 -6.496 -5.296 0.964 1.00 0.00 C ATOM 522 O PRO A 37 -5.487 -5.014 1.612 1.00 0.00 O ATOM 523 CB PRO A 37 -6.097 -7.480 -0.160 1.00 0.00 C ATOM 524 CG PRO A 37 -4.578 -7.534 -0.265 1.00 0.00 C ATOM 525 CD PRO A 37 -4.302 -6.576 -1.410 1.00 0.00 C ATOM 0 HA PRO A 37 -7.320 -5.786 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.451 -7.815 0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.581 -8.108 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.094 -7.215 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.220 -8.541 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.287 -6.182 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.406 -7.071 -2.376 1.00 0.00 H new ATOM 533 N PRO A 38 -7.726 -5.073 1.459 1.00 0.00 N ATOM 534 CA PRO A 38 -7.937 -4.432 2.746 1.00 0.00 C ATOM 535 C PRO A 38 -7.667 -5.359 3.930 1.00 0.00 C ATOM 536 O PRO A 38 -7.671 -4.877 5.062 1.00 0.00 O ATOM 537 CB PRO A 38 -9.378 -3.953 2.712 1.00 0.00 C ATOM 538 CG PRO A 38 -10.088 -4.959 1.816 1.00 0.00 C ATOM 539 CD PRO A 38 -9.005 -5.348 0.810 1.00 0.00 C ATOM 0 HA PRO A 38 -7.235 -3.612 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.814 -3.933 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.452 -2.942 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.443 -5.821 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.956 -4.520 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.085 -6.401 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.105 -4.774 -0.111 1.00 0.00 H new ATOM 547 N GLU A 39 -7.460 -6.656 3.697 1.00 0.00 N ATOM 548 CA GLU A 39 -7.181 -7.619 4.746 1.00 0.00 C ATOM 549 C GLU A 39 -5.705 -7.474 5.119 1.00 0.00 C ATOM 550 O GLU A 39 -5.392 -7.058 6.229 1.00 0.00 O ATOM 551 CB GLU A 39 -7.569 -9.033 4.271 1.00 0.00 C ATOM 552 CG GLU A 39 -7.562 -10.060 5.416 1.00 0.00 C ATOM 553 CD GLU A 39 -8.450 -9.618 6.580 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.668 -9.421 6.387 1.00 0.00 O ATOM 555 OE2 GLU A 39 -7.909 -9.316 7.677 1.00 0.00 O ATOM 0 H GLU A 39 -7.483 -7.065 2.763 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.774 -7.438 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.561 -9.002 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.876 -9.355 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.906 -11.024 5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.541 -10.202 5.771 1.00 0.00 H new ATOM 562 N ASP A 40 -4.805 -7.683 4.153 1.00 0.00 N ATOM 563 CA ASP A 40 -3.347 -7.602 4.305 1.00 0.00 C ATOM 564 C ASP A 40 -2.833 -6.166 4.492 1.00 0.00 C ATOM 565 O ASP A 40 -1.616 -5.950 4.465 1.00 0.00 O ATOM 566 CB ASP A 40 -2.646 -8.200 3.072 1.00 0.00 C ATOM 567 CG ASP A 40 -3.037 -9.642 2.781 1.00 0.00 C ATOM 568 OD1 ASP A 40 -2.676 -10.514 3.604 1.00 0.00 O ATOM 569 OD2 ASP A 40 -3.688 -9.883 1.740 1.00 0.00 O ATOM 0 H ASP A 40 -5.084 -7.924 3.202 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.113 -8.167 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.879 -7.588 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.567 -8.149 3.219 1.00 0.00 H new ATOM 574 N ILE A 41 -3.717 -5.172 4.634 1.00 0.00 N ATOM 575 CA ILE A 41 -3.406 -3.749 4.806 1.00 0.00 C ATOM 576 C ILE A 41 -2.328 -3.501 5.870 1.00 0.00 C ATOM 577 O ILE A 41 -1.517 -2.584 5.728 1.00 0.00 O ATOM 578 CB ILE A 41 -4.705 -2.959 5.105 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.433 -1.436 5.105 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.356 -3.405 6.431 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.684 -0.575 5.311 1.00 0.00 C ATOM 0 H ILE A 41 -4.722 -5.348 4.632 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.982 -3.385 3.870 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.414 -3.181 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.714 -1.207 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.968 -1.161 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.264 -2.827 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.606 -4.465 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.659 -3.239 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.406 0.479 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.397 -0.772 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.139 -0.818 6.271 1.00 0.00 H new ATOM 593 N PHE A 42 -2.285 -4.322 6.919 1.00 0.00 N ATOM 594 CA PHE A 42 -1.319 -4.199 8.002 1.00 0.00 C ATOM 595 C PHE A 42 0.122 -4.261 7.487 1.00 0.00 C ATOM 596 O PHE A 42 1.018 -3.690 8.104 1.00 0.00 O ATOM 597 CB PHE A 42 -1.590 -5.288 9.046 1.00 0.00 C ATOM 598 CG PHE A 42 -3.005 -5.246 9.596 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.338 -4.380 10.654 1.00 0.00 C ATOM 600 CD2 PHE A 42 -4.013 -6.023 8.998 1.00 0.00 C ATOM 601 CE1 PHE A 42 -4.666 -4.282 11.103 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.343 -5.909 9.428 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.672 -5.045 10.487 1.00 0.00 C ATOM 0 H PHE A 42 -2.931 -5.102 7.039 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.437 -3.221 8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.409 -6.265 8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.883 -5.179 9.869 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.568 -3.787 11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.762 -6.711 8.204 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.913 -3.621 11.921 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.117 -6.487 8.944 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.695 -4.968 10.826 1.00 0.00 H new ATOM 613 N ASN A 43 0.360 -4.917 6.350 1.00 0.00 N ATOM 614 CA ASN A 43 1.685 -5.040 5.753 1.00 0.00 C ATOM 615 C ASN A 43 2.091 -3.759 5.026 1.00 0.00 C ATOM 616 O ASN A 43 3.287 -3.509 4.882 1.00 0.00 O ATOM 617 CB ASN A 43 1.721 -6.187 4.745 1.00 0.00 C ATOM 618 CG ASN A 43 1.473 -7.536 5.395 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.402 -8.200 5.835 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.236 -7.993 5.417 1.00 0.00 N ATOM 0 H ASN A 43 -0.372 -5.382 5.814 1.00 0.00 H new ATOM 0 HA ASN A 43 2.381 -5.233 6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.969 -6.014 3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.691 -6.199 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.040 -8.915 5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.525 -7.424 5.045 1.00 0.00 H new ATOM 627 N LEU A 44 1.130 -2.978 4.514 1.00 0.00 N ATOM 628 CA LEU A 44 1.413 -1.724 3.811 1.00 0.00 C ATOM 629 C LEU A 44 1.902 -0.683 4.808 1.00 0.00 C ATOM 630 O LEU A 44 2.754 0.141 4.490 1.00 0.00 O ATOM 631 CB LEU A 44 0.149 -1.140 3.152 1.00 0.00 C ATOM 632 CG LEU A 44 -0.328 -1.821 1.865 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.698 -1.233 1.507 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.650 -1.599 0.705 1.00 0.00 C ATOM 0 H LEU A 44 0.136 -3.199 4.577 1.00 0.00 H new ATOM 0 HA LEU A 44 2.159 -1.947 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.663 -1.177 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.333 -0.088 2.933 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.389 -2.897 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.066 -1.698 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.399 -1.424 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.604 -0.158 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.274 -2.098 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.747 -0.531 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.625 -2.010 0.967 1.00 0.00 H new ATOM 646 N VAL A 45 1.329 -0.689 6.007 1.00 0.00 N ATOM 647 CA VAL A 45 1.649 0.231 7.082 1.00 0.00 C ATOM 648 C VAL A 45 3.121 0.060 7.477 1.00 0.00 C ATOM 649 O VAL A 45 3.522 -0.941 8.069 1.00 0.00 O ATOM 650 CB VAL A 45 0.604 0.031 8.193 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.985 0.710 9.507 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.731 0.597 7.689 1.00 0.00 C ATOM 0 H VAL A 45 0.604 -1.360 6.261 1.00 0.00 H new ATOM 0 HA VAL A 45 1.577 1.280 6.796 1.00 0.00 H new ATOM 0 HB VAL A 45 0.537 -1.035 8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.206 0.531 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.930 0.302 9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.091 1.783 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.494 0.469 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.615 1.658 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.033 0.067 6.786 1.00 0.00 H new ATOM 662 N GLY A 46 3.932 1.062 7.142 1.00 0.00 N ATOM 663 CA GLY A 46 5.364 1.112 7.393 1.00 0.00 C ATOM 664 C GLY A 46 6.158 1.117 6.089 1.00 0.00 C ATOM 665 O GLY A 46 7.357 1.401 6.111 1.00 0.00 O ATOM 0 H GLY A 46 3.589 1.897 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.603 2.006 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.659 0.254 7.997 1.00 0.00 H new ATOM 669 N LYS A 47 5.532 0.786 4.952 1.00 0.00 N ATOM 670 CA LYS A 47 6.225 0.790 3.669 1.00 0.00 C ATOM 671 C LYS A 47 6.414 2.230 3.234 1.00 0.00 C ATOM 672 O LYS A 47 5.679 3.117 3.675 1.00 0.00 O ATOM 673 CB LYS A 47 5.465 0.005 2.593 1.00 0.00 C ATOM 674 CG LYS A 47 5.391 -1.489 2.932 1.00 0.00 C ATOM 675 CD LYS A 47 4.951 -2.308 1.715 1.00 0.00 C ATOM 676 CE LYS A 47 5.157 -3.803 1.980 1.00 0.00 C ATOM 677 NZ LYS A 47 5.365 -4.544 0.723 1.00 0.00 N ATOM 0 H LYS A 47 4.550 0.514 4.900 1.00 0.00 H new ATOM 0 HA LYS A 47 7.188 0.295 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.457 0.406 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.958 0.136 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.366 -1.836 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.690 -1.645 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.902 -2.111 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.522 -2.005 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.017 -3.944 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.289 -4.205 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.832 -5.437 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.032 -3.970 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.378 -4.749 0.604 1.00 0.00 H new ATOM 691 N LYS A 48 7.413 2.471 2.389 1.00 0.00 N ATOM 692 CA LYS A 48 7.705 3.798 1.875 1.00 0.00 C ATOM 693 C LYS A 48 7.187 3.852 0.447 1.00 0.00 C ATOM 694 O LYS A 48 7.400 2.889 -0.298 1.00 0.00 O ATOM 695 CB LYS A 48 9.215 4.063 1.934 1.00 0.00 C ATOM 696 CG LYS A 48 9.475 5.572 1.853 1.00 0.00 C ATOM 697 CD LYS A 48 10.962 5.929 1.792 1.00 0.00 C ATOM 698 CE LYS A 48 11.704 5.866 3.128 1.00 0.00 C ATOM 699 NZ LYS A 48 12.261 4.526 3.400 1.00 0.00 N ATOM 0 H LYS A 48 8.042 1.747 2.043 1.00 0.00 H new ATOM 0 HA LYS A 48 7.221 4.570 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.629 3.661 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.717 3.553 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.976 5.972 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.027 6.058 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.452 5.254 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.061 6.936 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.511 6.599 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.023 6.143 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.104 4.281 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.791 3.825 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.282 4.527 3.201 1.00 0.00 H new ATOM 713 N VAL A 49 6.471 4.914 0.088 1.00 0.00 N ATOM 714 CA VAL A 49 5.963 5.052 -1.269 1.00 0.00 C ATOM 715 C VAL A 49 7.124 5.408 -2.193 1.00 0.00 C ATOM 716 O VAL A 49 8.022 6.171 -1.821 1.00 0.00 O ATOM 717 CB VAL A 49 4.838 6.091 -1.373 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.546 5.542 -0.772 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.145 7.427 -0.691 1.00 0.00 C ATOM 0 H VAL A 49 6.232 5.684 0.713 1.00 0.00 H new ATOM 0 HA VAL A 49 5.524 4.101 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 49 4.735 6.284 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.759 6.292 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.248 4.642 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.708 5.299 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.297 8.101 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.326 7.260 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.031 7.872 -1.144 1.00 0.00 H new ATOM 729 N LEU A 50 7.086 4.831 -3.390 1.00 0.00 N ATOM 730 CA LEU A 50 8.063 5.014 -4.450 1.00 0.00 C ATOM 731 C LEU A 50 7.707 6.222 -5.313 1.00 0.00 C ATOM 732 O LEU A 50 8.585 6.754 -5.991 1.00 0.00 O ATOM 733 CB LEU A 50 8.053 3.764 -5.350 1.00 0.00 C ATOM 734 CG LEU A 50 8.592 2.485 -4.681 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.401 1.292 -5.620 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.075 2.602 -4.302 1.00 0.00 C ATOM 0 H LEU A 50 6.336 4.193 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 50 9.043 5.171 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.031 3.581 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.646 3.970 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 50 8.027 2.339 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.783 0.389 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.340 1.166 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.943 1.470 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.405 1.675 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.666 2.787 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.208 3.428 -3.603 1.00 0.00 H new ATOM 748 N VAL A 51 6.443 6.654 -5.294 1.00 0.00 N ATOM 749 CA VAL A 51 5.927 7.767 -6.079 1.00 0.00 C ATOM 750 C VAL A 51 4.907 8.563 -5.260 1.00 0.00 C ATOM 751 O VAL A 51 4.464 8.114 -4.203 1.00 0.00 O ATOM 752 CB VAL A 51 5.281 7.212 -7.371 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.275 6.402 -8.215 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.056 6.322 -7.109 1.00 0.00 C ATOM 0 H VAL A 51 5.729 6.219 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 51 6.741 8.440 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 51 4.962 8.102 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.776 6.033 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.112 7.039 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.644 5.558 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.654 5.968 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.350 5.468 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.294 6.898 -6.584 1.00 0.00 H new ATOM 764 N THR A 52 4.560 9.757 -5.734 1.00 0.00 N ATOM 765 CA THR A 52 3.586 10.631 -5.111 1.00 0.00 C ATOM 766 C THR A 52 2.203 10.044 -5.380 1.00 0.00 C ATOM 767 O THR A 52 1.735 10.051 -6.519 1.00 0.00 O ATOM 768 CB THR A 52 3.724 12.044 -5.693 1.00 0.00 C ATOM 769 OG1 THR A 52 4.993 12.575 -5.331 1.00 0.00 O ATOM 770 CG2 THR A 52 2.625 13.008 -5.226 1.00 0.00 C ATOM 0 H THR A 52 4.963 10.148 -6.585 1.00 0.00 H new ATOM 0 HA THR A 52 3.743 10.704 -4.035 1.00 0.00 H new ATOM 0 HB THR A 52 3.625 11.951 -6.774 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.088 13.477 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.785 13.988 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.651 12.624 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.657 13.098 -4.140 1.00 0.00 H new ATOM 778 N VAL A 53 1.585 9.467 -4.361 1.00 0.00 N ATOM 779 CA VAL A 53 0.254 8.891 -4.459 1.00 0.00 C ATOM 780 C VAL A 53 -0.717 10.023 -4.104 1.00 0.00 C ATOM 781 O VAL A 53 -0.458 10.778 -3.162 1.00 0.00 O ATOM 782 CB VAL A 53 0.151 7.690 -3.505 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.250 7.095 -3.548 1.00 0.00 C ATOM 784 CG2 VAL A 53 1.143 6.564 -3.848 1.00 0.00 C ATOM 0 H VAL A 53 1.999 9.385 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 53 0.021 8.509 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 53 0.388 8.078 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.306 6.246 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.976 7.850 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.473 6.762 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.022 5.744 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.948 6.203 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.162 6.947 -3.790 1.00 0.00 H new ATOM 794 N GLU A 54 -1.808 10.187 -4.851 1.00 0.00 N ATOM 795 CA GLU A 54 -2.781 11.237 -4.570 1.00 0.00 C ATOM 796 C GLU A 54 -3.905 10.742 -3.670 1.00 0.00 C ATOM 797 O GLU A 54 -3.938 9.584 -3.270 1.00 0.00 O ATOM 798 CB GLU A 54 -3.284 11.865 -5.873 1.00 0.00 C ATOM 799 CG GLU A 54 -2.318 12.985 -6.271 1.00 0.00 C ATOM 800 CD GLU A 54 -2.952 13.880 -7.325 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.011 13.504 -8.518 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.464 14.960 -6.950 1.00 0.00 O ATOM 0 H GLU A 54 -2.039 9.604 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.284 12.027 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.339 11.113 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.291 12.261 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.054 13.576 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.393 12.557 -6.657 1.00 0.00 H new ATOM 809 N GLU A 55 -4.797 11.645 -3.272 1.00 0.00 N ATOM 810 CA GLU A 55 -5.916 11.287 -2.421 1.00 0.00 C ATOM 811 C GLU A 55 -6.893 10.439 -3.234 1.00 0.00 C ATOM 812 O GLU A 55 -7.211 10.764 -4.380 1.00 0.00 O ATOM 813 CB GLU A 55 -6.537 12.568 -1.870 1.00 0.00 C ATOM 814 CG GLU A 55 -7.665 12.273 -0.871 1.00 0.00 C ATOM 815 CD GLU A 55 -8.054 13.509 -0.058 1.00 0.00 C ATOM 816 OE1 GLU A 55 -7.169 14.334 0.260 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.224 13.601 0.383 1.00 0.00 O ATOM 0 H GLU A 55 -4.762 12.632 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.606 10.687 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.766 13.164 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.928 13.165 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.538 11.905 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.350 11.479 -0.194 1.00 0.00 H new ATOM 824 N ASP A 56 -7.397 9.371 -2.617 1.00 0.00 N ATOM 825 CA ASP A 56 -8.326 8.388 -3.177 1.00 0.00 C ATOM 826 C ASP A 56 -7.668 7.563 -4.291 1.00 0.00 C ATOM 827 O ASP A 56 -8.350 6.856 -5.038 1.00 0.00 O ATOM 828 CB ASP A 56 -9.672 9.018 -3.584 1.00 0.00 C ATOM 829 CG ASP A 56 -10.796 7.979 -3.567 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.095 7.444 -2.479 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.457 7.749 -4.610 1.00 0.00 O ATOM 0 H ASP A 56 -7.152 9.155 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.573 7.681 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.916 9.833 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.588 9.450 -4.581 1.00 0.00 H new ATOM 836 N ASP A 57 -6.348 7.689 -4.470 1.00 0.00 N ATOM 837 CA ASP A 57 -5.590 6.938 -5.470 1.00 0.00 C ATOM 838 C ASP A 57 -5.542 5.486 -4.987 1.00 0.00 C ATOM 839 O ASP A 57 -5.601 5.214 -3.781 1.00 0.00 O ATOM 840 CB ASP A 57 -4.187 7.508 -5.611 1.00 0.00 C ATOM 841 CG ASP A 57 -3.459 7.130 -6.893 1.00 0.00 C ATOM 842 OD1 ASP A 57 -3.823 6.110 -7.514 1.00 0.00 O ATOM 843 OD2 ASP A 57 -2.481 7.843 -7.237 1.00 0.00 O ATOM 0 H ASP A 57 -5.772 8.323 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.061 7.003 -6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.246 8.595 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.590 7.175 -4.762 1.00 0.00 H new ATOM 848 N THR A 58 -5.527 4.544 -5.914 1.00 0.00 N ATOM 849 CA THR A 58 -5.522 3.123 -5.609 1.00 0.00 C ATOM 850 C THR A 58 -4.110 2.653 -5.271 1.00 0.00 C ATOM 851 O THR A 58 -3.197 2.698 -6.092 1.00 0.00 O ATOM 852 CB THR A 58 -6.213 2.319 -6.721 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.516 2.852 -6.935 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.413 0.868 -6.287 1.00 0.00 C ATOM 0 H THR A 58 -5.518 4.747 -6.914 1.00 0.00 H new ATOM 0 HA THR A 58 -6.116 2.939 -4.714 1.00 0.00 H new ATOM 0 HB THR A 58 -5.592 2.373 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.964 2.346 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.904 0.313 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.445 0.416 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.033 0.838 -5.391 1.00 0.00 H new ATOM 862 N ILE A 59 -3.928 2.227 -4.021 1.00 0.00 N ATOM 863 CA ILE A 59 -2.655 1.736 -3.535 1.00 0.00 C ATOM 864 C ILE A 59 -2.419 0.367 -4.171 1.00 0.00 C ATOM 865 O ILE A 59 -3.150 -0.586 -3.888 1.00 0.00 O ATOM 866 CB ILE A 59 -2.633 1.672 -1.988 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.801 3.070 -1.350 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.349 1.008 -1.450 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.536 3.923 -1.301 1.00 0.00 C ATOM 0 H ILE A 59 -4.669 2.216 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.849 2.415 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.484 1.054 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.565 3.615 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.174 2.945 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.380 0.986 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.279 -0.011 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.480 1.579 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.762 4.882 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.772 3.408 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.169 4.089 -2.314 1.00 0.00 H new ATOM 881 N MET A 60 -1.436 0.284 -5.061 1.00 0.00 N ATOM 882 CA MET A 60 -1.031 -0.944 -5.725 1.00 0.00 C ATOM 883 C MET A 60 0.299 -1.310 -5.069 1.00 0.00 C ATOM 884 O MET A 60 1.025 -0.431 -4.586 1.00 0.00 O ATOM 885 CB MET A 60 -0.881 -0.749 -7.243 1.00 0.00 C ATOM 886 CG MET A 60 -2.228 -0.574 -7.958 1.00 0.00 C ATOM 887 SD MET A 60 -2.865 -2.031 -8.833 1.00 0.00 S ATOM 888 CE MET A 60 -2.705 -3.317 -7.573 1.00 0.00 C ATOM 0 H MET A 60 -0.885 1.094 -5.347 1.00 0.00 H new ATOM 0 HA MET A 60 -1.775 -1.733 -5.616 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.258 0.125 -7.432 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.360 -1.608 -7.665 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.970 -0.265 -7.221 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.132 0.242 -8.675 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.249 -4.207 -7.890 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.652 -3.564 -7.437 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.118 -2.957 -6.631 1.00 0.00 H new ATOM 898 N GLU A 61 0.644 -2.597 -5.036 1.00 0.00 N ATOM 899 CA GLU A 61 1.900 -3.015 -4.416 1.00 0.00 C ATOM 900 C GLU A 61 3.113 -2.430 -5.144 1.00 0.00 C ATOM 901 O GLU A 61 4.155 -2.232 -4.524 1.00 0.00 O ATOM 902 CB GLU A 61 1.985 -4.542 -4.249 1.00 0.00 C ATOM 903 CG GLU A 61 2.043 -5.390 -5.514 1.00 0.00 C ATOM 904 CD GLU A 61 0.715 -5.397 -6.258 1.00 0.00 C ATOM 905 OE1 GLU A 61 -0.235 -6.056 -5.761 1.00 0.00 O ATOM 906 OE2 GLU A 61 0.606 -4.712 -7.299 1.00 0.00 O ATOM 0 H GLU A 61 0.083 -3.356 -5.424 1.00 0.00 H new ATOM 0 HA GLU A 61 1.915 -2.601 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.871 -4.766 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.121 -4.865 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.824 -5.008 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.318 -6.412 -5.253 1.00 0.00 H new ATOM 913 N GLU A 62 2.977 -2.086 -6.426 1.00 0.00 N ATOM 914 CA GLU A 62 4.061 -1.510 -7.210 1.00 0.00 C ATOM 915 C GLU A 62 4.351 -0.035 -6.881 1.00 0.00 C ATOM 916 O GLU A 62 5.298 0.520 -7.438 1.00 0.00 O ATOM 917 CB GLU A 62 3.785 -1.702 -8.707 1.00 0.00 C ATOM 918 CG GLU A 62 2.638 -0.858 -9.279 1.00 0.00 C ATOM 919 CD GLU A 62 2.708 -0.901 -10.802 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.624 -0.252 -11.359 1.00 0.00 O ATOM 921 OE2 GLU A 62 1.929 -1.664 -11.415 1.00 0.00 O ATOM 0 H GLU A 62 2.108 -2.201 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 62 4.967 -2.049 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.695 -1.469 -9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.564 -2.754 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.678 -1.243 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.714 0.171 -8.927 1.00 0.00 H new ATOM 928 N LEU A 63 3.547 0.623 -6.032 1.00 0.00 N ATOM 929 CA LEU A 63 3.742 2.031 -5.648 1.00 0.00 C ATOM 930 C LEU A 63 4.516 2.150 -4.335 1.00 0.00 C ATOM 931 O LEU A 63 4.774 3.261 -3.871 1.00 0.00 O ATOM 932 CB LEU A 63 2.409 2.780 -5.478 1.00 0.00 C ATOM 933 CG LEU A 63 1.416 2.656 -6.648 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.136 3.436 -6.333 1.00 0.00 C ATOM 935 CD2 LEU A 63 1.997 3.146 -7.975 1.00 0.00 C ATOM 0 H LEU A 63 2.737 0.190 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 63 4.309 2.481 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.922 2.416 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.625 3.837 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 63 1.195 1.595 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.561 3.343 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.322 3.034 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.379 4.487 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.251 3.034 -8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.275 4.196 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.880 2.558 -8.225 1.00 0.00 H new ATOM 947 N VAL A 64 4.851 1.031 -3.700 1.00 0.00 N ATOM 948 CA VAL A 64 5.585 0.965 -2.449 1.00 0.00 C ATOM 949 C VAL A 64 6.721 -0.029 -2.635 1.00 0.00 C ATOM 950 O VAL A 64 6.614 -0.959 -3.439 1.00 0.00 O ATOM 951 CB VAL A 64 4.657 0.541 -1.286 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.845 1.717 -0.738 1.00 0.00 C ATOM 953 CG2 VAL A 64 3.683 -0.607 -1.610 1.00 0.00 C ATOM 0 H VAL A 64 4.606 0.109 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 64 5.984 1.946 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 64 5.356 0.172 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.208 1.371 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.523 2.486 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.225 2.132 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.077 -0.829 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.033 -0.311 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.248 -1.494 -1.895 1.00 0.00 H new ATOM 963 N ASP A 65 7.822 0.150 -1.908 1.00 0.00 N ATOM 964 CA ASP A 65 8.938 -0.786 -2.021 1.00 0.00 C ATOM 965 C ASP A 65 8.501 -2.117 -1.380 1.00 0.00 C ATOM 966 O ASP A 65 7.469 -2.195 -0.702 1.00 0.00 O ATOM 967 CB ASP A 65 10.201 -0.217 -1.355 1.00 0.00 C ATOM 968 CG ASP A 65 11.508 -0.806 -1.908 1.00 0.00 C ATOM 969 OD1 ASP A 65 11.517 -1.937 -2.451 1.00 0.00 O ATOM 970 OD2 ASP A 65 12.549 -0.129 -1.779 1.00 0.00 O ATOM 0 H ASP A 65 7.965 0.916 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 65 9.193 -0.952 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.215 0.865 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.152 -0.406 -0.283 1.00 0.00 H new ATOM 975 N ASN A 66 9.251 -3.189 -1.610 1.00 0.00 N ATOM 976 CA ASN A 66 8.977 -4.507 -1.059 1.00 0.00 C ATOM 977 C ASN A 66 9.032 -4.387 0.463 1.00 0.00 C ATOM 978 O ASN A 66 8.089 -4.761 1.155 1.00 0.00 O ATOM 979 CB ASN A 66 10.010 -5.503 -1.587 1.00 0.00 C ATOM 980 CG ASN A 66 9.968 -6.795 -0.790 1.00 0.00 C ATOM 981 OD1 ASN A 66 10.820 -7.012 0.068 1.00 0.00 O ATOM 982 ND2 ASN A 66 8.994 -7.642 -1.052 1.00 0.00 N ATOM 0 H ASN A 66 10.084 -3.163 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 66 7.994 -4.871 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.816 -5.713 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.007 -5.066 -1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.927 -8.518 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.307 -7.422 -1.773 1.00 0.00 H new ATOM 989 N HIS A 67 10.130 -3.830 0.973 1.00 0.00 N ATOM 990 CA HIS A 67 10.402 -3.588 2.377 1.00 0.00 C ATOM 991 C HIS A 67 11.286 -2.349 2.459 1.00 0.00 C ATOM 992 O HIS A 67 11.924 -1.963 1.473 1.00 0.00 O ATOM 993 CB HIS A 67 11.138 -4.785 2.998 1.00 0.00 C ATOM 994 CG HIS A 67 10.270 -5.982 3.299 1.00 0.00 C ATOM 995 ND1 HIS A 67 9.001 -5.976 3.833 1.00 0.00 N ATOM 996 CD2 HIS A 67 10.624 -7.287 3.111 1.00 0.00 C ATOM 997 CE1 HIS A 67 8.580 -7.248 3.912 1.00 0.00 C ATOM 998 NE2 HIS A 67 9.544 -8.086 3.493 1.00 0.00 N ATOM 0 H HIS A 67 10.896 -3.519 0.375 1.00 0.00 H new ATOM 0 HA HIS A 67 9.469 -3.446 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.934 -5.094 2.321 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.615 -4.459 3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 67 11.572 -7.640 2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.605 -7.555 4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 67 9.496 -9.104 3.460 1.00 0.00 H new ATOM 1006 N GLY A 68 11.323 -1.720 3.628 1.00 0.00 N ATOM 1007 CA GLY A 68 12.119 -0.542 3.915 1.00 0.00 C ATOM 1008 C GLY A 68 13.162 -0.916 4.958 1.00 0.00 C ATOM 1009 O GLY A 68 13.098 -1.985 5.563 1.00 0.00 O ATOM 0 H GLY A 68 10.776 -2.032 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.602 -0.179 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.485 0.265 4.283 1.00 0.00 H new ATOM 1013 N LYS A 69 14.149 -0.052 5.174 1.00 0.00 N ATOM 1014 CA LYS A 69 15.206 -0.274 6.166 1.00 0.00 C ATOM 1015 C LYS A 69 15.382 0.941 7.067 1.00 0.00 C ATOM 1016 O LYS A 69 16.228 0.919 7.961 1.00 0.00 O ATOM 1017 CB LYS A 69 16.492 -0.754 5.481 1.00 0.00 C ATOM 1018 CG LYS A 69 17.235 0.303 4.645 1.00 0.00 C ATOM 1019 CD LYS A 69 18.364 1.070 5.359 1.00 0.00 C ATOM 1020 CE LYS A 69 19.725 0.363 5.353 1.00 0.00 C ATOM 1021 NZ LYS A 69 19.719 -0.953 6.022 1.00 0.00 N ATOM 0 H LYS A 69 14.242 0.827 4.666 1.00 0.00 H new ATOM 0 HA LYS A 69 14.911 -1.079 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.172 -1.129 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.245 -1.595 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.657 -0.189 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.505 1.027 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.475 2.046 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.067 1.247 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.051 0.233 4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.459 1.004 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.687 -1.331 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.357 -0.848 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.108 -1.608 5.494 1.00 0.00 H new ATOM 1035 N LYS A 70 14.629 2.012 6.806 1.00 0.00 N ATOM 1036 CA LYS A 70 14.635 3.251 7.556 1.00 0.00 C ATOM 1037 C LYS A 70 14.260 2.881 8.988 1.00 0.00 C ATOM 1038 O LYS A 70 13.131 2.453 9.241 1.00 0.00 O ATOM 1039 CB LYS A 70 13.632 4.222 6.921 1.00 0.00 C ATOM 1040 CG LYS A 70 13.736 5.639 7.495 1.00 0.00 C ATOM 1041 CD LYS A 70 12.542 6.484 7.023 1.00 0.00 C ATOM 1042 CE LYS A 70 12.601 7.932 7.515 1.00 0.00 C ATOM 1043 NZ LYS A 70 12.634 8.016 8.987 1.00 0.00 N ATOM 0 H LYS A 70 13.970 2.030 6.027 1.00 0.00 H new ATOM 0 HA LYS A 70 15.604 3.749 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.799 4.257 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.621 3.845 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.756 5.599 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.669 6.102 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.508 6.478 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.618 6.025 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.486 8.418 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.735 8.477 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.571 9.012 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.831 7.487 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.524 7.608 9.338 1.00 0.00 H new ATOM 1057 N ILE A 71 15.231 2.965 9.888 1.00 0.00 N ATOM 1058 CA ILE A 71 15.078 2.659 11.301 1.00 0.00 C ATOM 1059 C ILE A 71 14.161 3.683 11.984 1.00 0.00 C ATOM 1060 O ILE A 71 13.696 4.646 11.364 1.00 0.00 O ATOM 1061 CB ILE A 71 16.478 2.536 11.955 1.00 0.00 C ATOM 1062 CG1 ILE A 71 17.520 3.597 11.520 1.00 0.00 C ATOM 1063 CG2 ILE A 71 17.051 1.146 11.631 1.00 0.00 C ATOM 1064 CD1 ILE A 71 17.075 5.043 11.742 1.00 0.00 C ATOM 0 H ILE A 71 16.177 3.258 9.645 1.00 0.00 H new ATOM 0 HA ILE A 71 14.582 1.696 11.428 1.00 0.00 H new ATOM 0 HB ILE A 71 16.313 2.699 13.020 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.446 3.426 12.068 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.745 3.456 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 71 18.037 1.044 12.085 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.388 0.377 12.028 1.00 0.00 H new ATOM 0 HG23 ILE A 71 17.135 1.030 10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.862 5.721 11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.166 5.236 11.171 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.879 5.205 12.802 1.00 0.00 H new ATOM 1076 N LYS A 72 13.870 3.455 13.265 1.00 0.00 N ATOM 1077 CA LYS A 72 13.025 4.319 14.080 1.00 0.00 C ATOM 1078 C LYS A 72 13.888 5.279 14.888 1.00 0.00 C ATOM 1079 O LYS A 72 14.996 4.926 15.302 1.00 0.00 O ATOM 1080 CB LYS A 72 12.162 3.435 14.993 1.00 0.00 C ATOM 1081 CG LYS A 72 11.215 4.221 15.921 1.00 0.00 C ATOM 1082 CD LYS A 72 10.186 3.313 16.614 1.00 0.00 C ATOM 1083 CE LYS A 72 9.165 2.731 15.622 1.00 0.00 C ATOM 1084 NZ LYS A 72 8.399 1.588 16.167 1.00 0.00 N ATOM 0 H LYS A 72 14.225 2.645 13.774 1.00 0.00 H new ATOM 0 HA LYS A 72 12.372 4.920 13.448 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.570 2.762 14.374 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.817 2.813 15.603 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.802 4.743 16.677 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.692 4.982 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.705 2.498 17.119 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.661 3.881 17.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.470 3.516 15.326 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.688 2.411 14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.730 1.244 15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.054 0.822 16.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.874 1.893 17.011 1.00 0.00 H new ATOM 1098 N SER A 73 13.374 6.486 15.104 1.00 0.00 N ATOM 1099 CA SER A 73 14.036 7.513 15.885 1.00 0.00 C ATOM 1100 C SER A 73 13.798 7.133 17.344 1.00 0.00 C ATOM 1101 O SER A 73 14.643 6.517 17.996 1.00 0.00 O ATOM 1102 CB SER A 73 13.474 8.887 15.501 1.00 0.00 C ATOM 1103 OG SER A 73 12.057 8.889 15.355 1.00 0.00 O ATOM 0 H SER A 73 12.470 6.778 14.733 1.00 0.00 H new ATOM 0 HA SER A 73 15.108 7.580 15.702 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.756 9.614 16.262 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.930 9.211 14.566 1.00 0.00 H new ATOM 0 HG SER A 73 11.754 9.789 15.112 1.00 0.00 H new ATOM 1109 N SER A 74 12.591 7.418 17.819 1.00 0.00 N ATOM 1110 CA SER A 74 12.119 7.138 19.158 1.00 0.00 C ATOM 1111 C SER A 74 10.687 6.612 19.058 1.00 0.00 C ATOM 1112 O SER A 74 10.093 6.613 17.972 1.00 0.00 O ATOM 1113 CB SER A 74 12.218 8.394 20.037 1.00 0.00 C ATOM 1114 OG SER A 74 13.438 9.089 19.807 1.00 0.00 O ATOM 0 H SER A 74 11.882 7.875 17.245 1.00 0.00 H new ATOM 0 HA SER A 74 12.740 6.379 19.634 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.376 9.054 19.829 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.150 8.112 21.088 1.00 0.00 H new ATOM 0 HG SER A 74 13.474 9.885 20.378 1.00 0.00 H new ATOM 1120 N GLY A 75 10.156 6.139 20.179 1.00 0.00 N ATOM 1121 CA GLY A 75 8.811 5.604 20.316 1.00 0.00 C ATOM 1122 C GLY A 75 8.125 6.307 21.491 1.00 0.00 C ATOM 1123 O GLY A 75 8.435 7.472 21.767 1.00 0.00 O ATOM 0 H GLY A 75 10.677 6.118 21.056 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.245 5.762 19.398 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.847 4.528 20.487 1.00 0.00 H new ATOM 1127 N PRO A 76 7.198 5.651 22.209 1.00 0.00 N ATOM 1128 CA PRO A 76 6.494 6.237 23.346 1.00 0.00 C ATOM 1129 C PRO A 76 7.400 6.475 24.573 1.00 0.00 C ATOM 1130 O PRO A 76 6.877 6.725 25.663 1.00 0.00 O ATOM 1131 CB PRO A 76 5.325 5.283 23.621 1.00 0.00 C ATOM 1132 CG PRO A 76 5.882 3.927 23.199 1.00 0.00 C ATOM 1133 CD PRO A 76 6.750 4.284 21.994 1.00 0.00 C ATOM 0 HA PRO A 76 6.139 7.242 23.120 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.036 5.291 24.672 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.440 5.553 23.045 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.464 3.463 23.995 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.089 3.228 22.934 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.598 3.605 21.910 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.183 4.201 21.067 1.00 0.00 H new ATOM 1141 N SER A 77 8.727 6.332 24.461 1.00 0.00 N ATOM 1142 CA SER A 77 9.641 6.568 25.568 1.00 0.00 C ATOM 1143 C SER A 77 9.531 8.044 25.964 1.00 0.00 C ATOM 1144 O SER A 77 9.422 8.908 25.092 1.00 0.00 O ATOM 1145 CB SER A 77 11.076 6.176 25.183 1.00 0.00 C ATOM 1146 OG SER A 77 11.468 6.754 23.946 1.00 0.00 O ATOM 0 H SER A 77 9.190 6.049 23.597 1.00 0.00 H new ATOM 0 HA SER A 77 9.375 5.947 26.424 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.763 6.495 25.967 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.151 5.091 25.117 1.00 0.00 H new ATOM 0 HG SER A 77 12.386 6.484 23.735 1.00 0.00 H new ATOM 1152 N SER A 78 9.511 8.316 27.263 1.00 0.00 N ATOM 1153 CA SER A 78 9.405 9.648 27.864 1.00 0.00 C ATOM 1154 C SER A 78 9.670 9.546 29.374 1.00 0.00 C ATOM 1155 O SER A 78 10.100 10.507 30.013 1.00 0.00 O ATOM 1156 CB SER A 78 7.986 10.185 27.583 1.00 0.00 C ATOM 1157 OG SER A 78 7.753 11.500 28.061 1.00 0.00 O ATOM 0 H SER A 78 9.571 7.579 27.965 1.00 0.00 H new ATOM 0 HA SER A 78 10.140 10.331 27.439 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.809 10.166 26.508 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.259 9.512 28.038 1.00 0.00 H new ATOM 0 HG SER A 78 6.836 11.769 27.844 1.00 0.00 H new ATOM 1163 N GLY A 79 9.412 8.375 29.952 1.00 0.00 N ATOM 1164 CA GLY A 79 9.574 7.994 31.335 1.00 0.00 C ATOM 1165 C GLY A 79 9.108 6.556 31.427 1.00 0.00 C ATOM 1166 O GLY A 79 8.947 5.916 30.364 1.00 0.00 O ATOM 0 H GLY A 79 9.048 7.599 29.399 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.614 8.088 31.647 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.986 8.638 31.989 1.00 0.00 H new TER 1170 GLY A 79