USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -148:sc= -0.218 (180deg=-1.34) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -178:sc= -2.37 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 70:sc= 0.0543 USER MOD Single : A 13 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 148:sc= 0.495 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -163:sc= -0.242 (180deg=-1.03) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 178:sc= -0.91 (180deg=-0.913) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.86! C(o=-1.9!,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 3:sc= -3.25! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 29:sc= 0.393 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.225 12.699 24.168 1.00 0.00 N ATOM 2 CA VAL A 1 2.335 11.990 24.864 1.00 0.00 C ATOM 3 C VAL A 1 3.412 12.984 25.285 1.00 0.00 C ATOM 4 O VAL A 1 4.452 13.096 24.637 1.00 0.00 O ATOM 5 CB VAL A 1 2.948 10.922 23.962 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.929 10.057 24.747 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.856 10.061 23.336 1.00 0.00 C ATOM 0 H1 VAL A 1 0.327 12.210 24.359 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.167 13.678 24.515 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.405 12.705 23.144 1.00 0.00 H new ATOM 0 HA VAL A 1 1.924 11.505 25.750 1.00 0.00 H new ATOM 0 HB VAL A 1 3.495 11.420 23.161 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.356 9.301 24.088 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.727 10.683 25.146 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.406 9.568 25.569 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.311 9.305 22.696 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.282 9.572 24.123 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.194 10.689 22.741 1.00 0.00 H new ATOM 19 N PRO A 2 3.176 13.722 26.384 1.00 0.00 N ATOM 20 CA PRO A 2 4.134 14.712 26.893 1.00 0.00 C ATOM 21 C PRO A 2 5.297 14.057 27.631 1.00 0.00 C ATOM 22 O PRO A 2 5.270 12.859 27.911 1.00 0.00 O ATOM 23 CB PRO A 2 3.309 15.568 27.843 1.00 0.00 C ATOM 24 CG PRO A 2 2.177 14.698 28.288 1.00 0.00 C ATOM 25 CD PRO A 2 1.963 13.652 27.218 1.00 0.00 C ATOM 0 HA PRO A 2 4.591 15.285 26.086 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.907 15.898 28.692 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.942 16.465 27.344 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.407 14.228 29.244 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.273 15.289 28.433 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.837 12.660 27.652 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.067 13.860 26.633 1.00 0.00 H new ATOM 33 N LYS A 3 6.317 14.850 27.943 1.00 0.00 N ATOM 34 CA LYS A 3 7.490 14.347 28.650 1.00 0.00 C ATOM 35 C LYS A 3 8.435 15.491 28.989 1.00 0.00 C ATOM 36 O LYS A 3 9.073 16.064 28.106 1.00 0.00 O ATOM 37 CB LYS A 3 8.213 13.312 27.793 1.00 0.00 C ATOM 38 CG LYS A 3 8.271 11.959 28.496 1.00 0.00 C ATOM 39 CD LYS A 3 9.346 11.066 27.886 1.00 0.00 C ATOM 40 CE LYS A 3 9.913 10.097 28.920 1.00 0.00 C ATOM 41 NZ LYS A 3 10.929 9.192 28.313 1.00 0.00 N ATOM 0 H LYS A 3 6.355 15.844 27.717 1.00 0.00 H new ATOM 0 HA LYS A 3 7.163 13.876 29.577 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.701 13.206 26.836 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.224 13.657 27.577 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.475 12.106 29.557 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.301 11.467 28.423 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.926 10.505 27.051 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.149 11.683 27.484 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.365 10.658 29.738 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.104 9.505 29.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.296 8.545 29.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.490 8.640 27.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.711 9.758 27.926 1.00 0.00 H new ATOM 55 N VAL A 4 8.521 15.820 30.274 1.00 0.00 N ATOM 56 CA VAL A 4 9.390 16.900 30.731 1.00 0.00 C ATOM 57 C VAL A 4 10.156 16.473 31.972 1.00 0.00 C ATOM 58 O VAL A 4 9.804 15.500 32.639 1.00 0.00 O ATOM 59 CB VAL A 4 8.555 18.154 31.018 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.297 17.789 31.800 1.00 0.00 C ATOM 61 CG2 VAL A 4 9.357 19.220 31.768 1.00 0.00 C ATOM 0 H VAL A 4 8.000 15.355 31.017 1.00 0.00 H new ATOM 0 HA VAL A 4 10.111 17.131 29.947 1.00 0.00 H new ATOM 0 HB VAL A 4 8.267 18.579 30.056 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.716 18.690 31.995 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.697 17.089 31.218 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.578 17.326 32.746 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.726 20.090 31.950 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.699 18.815 32.720 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.218 19.516 31.169 1.00 0.00 H new ATOM 71 N THR A 5 11.204 17.222 32.272 1.00 0.00 N ATOM 72 CA THR A 5 12.039 16.952 33.436 1.00 0.00 C ATOM 73 C THR A 5 12.492 18.258 34.074 1.00 0.00 C ATOM 74 O THR A 5 12.828 19.217 33.380 1.00 0.00 O ATOM 75 CB THR A 5 13.252 16.123 33.028 1.00 0.00 C ATOM 76 OG1 THR A 5 13.474 16.240 31.631 1.00 0.00 O ATOM 77 CG2 THR A 5 13.054 14.658 33.405 1.00 0.00 C ATOM 0 H THR A 5 11.500 18.028 31.722 1.00 0.00 H new ATOM 0 HA THR A 5 11.454 16.390 34.164 1.00 0.00 H new ATOM 0 HB THR A 5 14.124 16.502 33.561 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.256 15.706 31.378 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.931 14.084 33.105 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.917 14.575 34.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.173 14.267 32.896 1.00 0.00 H new ATOM 85 N PHE A 6 12.498 18.287 35.402 1.00 0.00 N ATOM 86 CA PHE A 6 12.909 19.475 36.143 1.00 0.00 C ATOM 87 C PHE A 6 14.205 19.207 36.895 1.00 0.00 C ATOM 88 O PHE A 6 14.805 18.140 36.760 1.00 0.00 O ATOM 89 CB PHE A 6 11.815 19.882 37.128 1.00 0.00 C ATOM 90 CG PHE A 6 10.571 20.397 36.450 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.771 19.534 35.718 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.225 21.733 36.561 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.627 20.009 35.097 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.082 22.208 35.940 1.00 0.00 C ATOM 95 CZ PHE A 6 8.283 21.345 35.208 1.00 0.00 C ATOM 0 H PHE A 6 12.222 17.500 35.989 1.00 0.00 H new ATOM 0 HA PHE A 6 13.073 20.287 35.435 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.555 19.024 37.748 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.203 20.652 37.795 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.039 18.491 35.632 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.847 22.406 37.133 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.004 19.337 34.526 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.814 23.251 36.026 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.391 21.715 34.724 1.00 0.00 H new ATOM 105 N THR A 7 14.631 20.180 37.692 1.00 0.00 N ATOM 106 CA THR A 7 15.854 20.054 38.473 1.00 0.00 C ATOM 107 C THR A 7 15.898 21.131 39.545 1.00 0.00 C ATOM 108 O THR A 7 14.896 21.794 39.813 1.00 0.00 O ATOM 109 CB THR A 7 17.073 20.177 37.562 1.00 0.00 C ATOM 110 OG1 THR A 7 16.706 19.904 36.218 1.00 0.00 O ATOM 111 CG2 THR A 7 18.179 19.225 38.006 1.00 0.00 C ATOM 0 H THR A 7 14.145 21.068 37.814 1.00 0.00 H new ATOM 0 HA THR A 7 15.868 19.075 38.951 1.00 0.00 H new ATOM 0 HB THR A 7 17.450 21.197 37.629 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.500 19.955 35.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.037 19.330 37.343 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.478 19.465 39.026 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.813 18.199 37.967 1.00 0.00 H new ATOM 119 N VAL A 8 17.063 21.306 40.153 1.00 0.00 N ATOM 120 CA VAL A 8 17.237 22.310 41.195 1.00 0.00 C ATOM 121 C VAL A 8 18.580 23.006 41.033 1.00 0.00 C ATOM 122 O VAL A 8 19.559 22.653 41.691 1.00 0.00 O ATOM 123 CB VAL A 8 17.141 21.658 42.572 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.004 22.722 43.658 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.963 20.688 42.621 1.00 0.00 C ATOM 0 H VAL A 8 17.902 20.766 39.943 1.00 0.00 H new ATOM 0 HA VAL A 8 16.446 23.054 41.104 1.00 0.00 H new ATOM 0 HB VAL A 8 18.058 21.097 42.754 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.937 22.240 44.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.874 23.378 43.637 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.103 23.309 43.481 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.908 20.232 43.609 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.038 21.228 42.419 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.100 19.911 41.869 1.00 0.00 H new ATOM 135 N GLU A 9 18.620 23.995 40.147 1.00 0.00 N ATOM 136 CA GLU A 9 19.843 24.747 39.885 1.00 0.00 C ATOM 137 C GLU A 9 20.453 25.243 41.190 1.00 0.00 C ATOM 138 O GLU A 9 19.754 25.410 42.189 1.00 0.00 O ATOM 139 CB GLU A 9 19.538 25.928 38.969 1.00 0.00 C ATOM 140 CG GLU A 9 19.412 25.482 37.515 1.00 0.00 C ATOM 141 CD GLU A 9 20.711 24.843 37.043 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.788 25.415 37.314 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.650 23.772 36.404 1.00 0.00 O ATOM 0 H GLU A 9 17.816 24.296 39.596 1.00 0.00 H new ATOM 0 HA GLU A 9 20.561 24.089 39.395 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.612 26.408 39.286 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.329 26.673 39.056 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.592 24.771 37.416 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.170 26.338 36.885 1.00 0.00 H new ATOM 150 N LYS A 10 21.762 25.475 41.177 1.00 0.00 N ATOM 151 CA LYS A 10 22.468 25.952 42.362 1.00 0.00 C ATOM 152 C LYS A 10 21.800 27.207 42.908 1.00 0.00 C ATOM 153 O LYS A 10 20.859 27.731 42.312 1.00 0.00 O ATOM 154 CB LYS A 10 23.927 26.245 42.022 1.00 0.00 C ATOM 155 CG LYS A 10 24.743 24.958 41.926 1.00 0.00 C ATOM 156 CD LYS A 10 26.235 25.256 41.789 1.00 0.00 C ATOM 157 CE LYS A 10 26.976 24.984 43.095 1.00 0.00 C ATOM 158 NZ LYS A 10 28.112 25.931 43.281 1.00 0.00 N ATOM 0 H LYS A 10 22.356 25.340 40.359 1.00 0.00 H new ATOM 0 HA LYS A 10 22.430 25.174 43.125 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.981 26.784 41.076 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.357 26.895 42.784 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.572 24.349 42.814 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.406 24.374 41.069 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.659 24.643 40.993 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.375 26.297 41.499 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.285 25.073 43.933 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.349 23.960 43.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.596 25.721 44.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.783 25.828 42.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.751 26.906 43.303 1.00 0.00 H new ATOM 172 N GLY A 11 22.293 27.686 44.046 1.00 0.00 N ATOM 173 CA GLY A 11 21.745 28.882 44.676 1.00 0.00 C ATOM 174 C GLY A 11 20.305 28.646 45.111 1.00 0.00 C ATOM 175 O GLY A 11 19.427 29.472 44.861 1.00 0.00 O ATOM 0 H GLY A 11 23.072 27.264 44.551 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.351 29.155 45.540 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.788 29.719 43.979 1.00 0.00 H new ATOM 179 N SER A 12 20.067 27.513 45.764 1.00 0.00 N ATOM 180 CA SER A 12 18.734 27.163 46.235 1.00 0.00 C ATOM 181 C SER A 12 18.619 27.410 47.734 1.00 0.00 C ATOM 182 O SER A 12 19.201 26.683 48.539 1.00 0.00 O ATOM 183 CB SER A 12 18.444 25.698 45.926 1.00 0.00 C ATOM 184 OG SER A 12 18.329 25.498 44.526 1.00 0.00 O ATOM 0 H SER A 12 20.784 26.820 45.979 1.00 0.00 H new ATOM 0 HA SER A 12 18.005 27.789 45.721 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.242 25.071 46.324 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.522 25.392 46.420 1.00 0.00 H new ATOM 0 HG SER A 12 19.210 25.596 44.108 1.00 0.00 H new ATOM 190 N ASN A 13 17.865 28.440 48.103 1.00 0.00 N ATOM 191 CA ASN A 13 17.672 28.784 49.508 1.00 0.00 C ATOM 192 C ASN A 13 16.313 28.291 49.990 1.00 0.00 C ATOM 193 O ASN A 13 15.512 27.785 49.204 1.00 0.00 O ATOM 194 CB ASN A 13 17.774 30.295 49.694 1.00 0.00 C ATOM 195 CG ASN A 13 19.116 30.800 49.182 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.145 30.632 49.837 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.107 31.421 48.008 1.00 0.00 N ATOM 0 H ASN A 13 17.377 29.052 47.449 1.00 0.00 H new ATOM 0 HA ASN A 13 18.450 28.300 50.098 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.963 30.790 49.159 1.00 0.00 H new ATOM 0 HB3 ASN A 13 17.661 30.547 50.748 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.977 31.781 47.615 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.231 31.538 47.500 1.00 0.00 H new ATOM 204 N GLU A 14 16.059 28.440 51.285 1.00 0.00 N ATOM 205 CA GLU A 14 14.794 28.007 51.872 1.00 0.00 C ATOM 206 C GLU A 14 13.619 28.655 51.151 1.00 0.00 C ATOM 207 O GLU A 14 12.561 28.046 50.998 1.00 0.00 O ATOM 208 CB GLU A 14 14.752 28.361 53.358 1.00 0.00 C ATOM 209 CG GLU A 14 15.326 29.752 53.617 1.00 0.00 C ATOM 210 CD GLU A 14 14.467 30.499 54.629 1.00 0.00 C ATOM 211 OE1 GLU A 14 13.728 29.837 55.388 1.00 0.00 O ATOM 212 OE2 GLU A 14 14.536 31.746 54.662 1.00 0.00 O ATOM 0 H GLU A 14 16.711 28.857 51.949 1.00 0.00 H new ATOM 0 HA GLU A 14 14.717 26.925 51.762 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.723 28.319 53.715 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.317 27.621 53.926 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.347 29.668 53.989 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.372 30.313 52.684 1.00 0.00 H new ATOM 219 N LYS A 15 13.807 29.896 50.714 1.00 0.00 N ATOM 220 CA LYS A 15 12.752 30.630 50.013 1.00 0.00 C ATOM 221 C LYS A 15 12.874 30.424 48.510 1.00 0.00 C ATOM 222 O LYS A 15 11.908 30.051 47.844 1.00 0.00 O ATOM 223 CB LYS A 15 12.813 32.136 50.324 1.00 0.00 C ATOM 224 CG LYS A 15 13.716 32.466 51.516 1.00 0.00 C ATOM 225 CD LYS A 15 13.203 33.677 52.282 1.00 0.00 C ATOM 226 CE LYS A 15 11.783 33.449 52.790 1.00 0.00 C ATOM 227 NZ LYS A 15 11.713 33.569 54.274 1.00 0.00 N ATOM 0 H LYS A 15 14.677 30.416 50.831 1.00 0.00 H new ATOM 0 HA LYS A 15 11.795 30.241 50.362 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.174 32.669 49.444 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.806 32.500 50.527 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.768 31.606 52.184 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.730 32.658 51.164 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.864 33.885 53.124 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.224 34.555 51.636 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.110 34.174 52.332 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.440 32.460 52.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.735 33.409 54.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.338 32.861 54.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.017 34.521 54.560 1.00 0.00 H new ATOM 241 N HIS A 16 14.064 30.681 47.978 1.00 0.00 N ATOM 242 CA HIS A 16 14.313 30.536 46.547 1.00 0.00 C ATOM 243 C HIS A 16 14.390 29.069 46.153 1.00 0.00 C ATOM 244 O HIS A 16 15.017 28.260 46.836 1.00 0.00 O ATOM 245 CB HIS A 16 15.615 31.236 46.171 1.00 0.00 C ATOM 246 CG HIS A 16 15.510 32.726 46.225 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.209 33.418 47.370 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.668 33.679 45.271 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.181 34.710 47.145 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.458 34.910 45.866 1.00 0.00 N ATOM 0 H HIS A 16 14.873 30.991 48.516 1.00 0.00 H new ATOM 0 HA HIS A 16 13.483 30.996 46.010 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.406 30.908 46.845 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.907 30.933 45.165 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.914 33.507 44.233 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.969 35.477 47.876 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.508 35.816 45.400 1.00 0.00 H new ATOM 258 N LEU A 17 13.757 28.740 45.034 1.00 0.00 N ATOM 259 CA LEU A 17 13.754 27.376 44.521 1.00 0.00 C ATOM 260 C LEU A 17 13.965 27.399 43.014 1.00 0.00 C ATOM 261 O LEU A 17 13.007 27.374 42.240 1.00 0.00 O ATOM 262 CB LEU A 17 12.432 26.692 44.865 1.00 0.00 C ATOM 263 CG LEU A 17 12.582 25.173 44.952 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.833 24.578 43.571 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.704 24.788 45.914 1.00 0.00 C ATOM 0 H LEU A 17 13.236 29.404 44.461 1.00 0.00 H new ATOM 0 HA LEU A 17 14.565 26.813 44.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.062 27.075 45.816 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.687 26.941 44.109 1.00 0.00 H new ATOM 0 HG LEU A 17 11.649 24.764 45.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.937 23.496 43.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.994 24.813 42.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.748 24.999 43.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.789 23.702 45.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.645 25.212 45.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.479 25.174 46.908 1.00 0.00 H new ATOM 277 N ALA A 18 15.228 27.465 42.606 1.00 0.00 N ATOM 278 CA ALA A 18 15.582 27.511 41.191 1.00 0.00 C ATOM 279 C ALA A 18 15.418 26.141 40.545 1.00 0.00 C ATOM 280 O ALA A 18 16.107 25.188 40.906 1.00 0.00 O ATOM 281 CB ALA A 18 17.024 27.985 41.036 1.00 0.00 C ATOM 0 H ALA A 18 16.028 27.488 43.239 1.00 0.00 H new ATOM 0 HA ALA A 18 14.912 28.210 40.691 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.284 28.018 39.978 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.128 28.981 41.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.691 27.295 41.553 1.00 0.00 H new ATOM 287 N VAL A 19 14.509 26.054 39.579 1.00 0.00 N ATOM 288 CA VAL A 19 14.259 24.803 38.869 1.00 0.00 C ATOM 289 C VAL A 19 14.767 24.906 37.437 1.00 0.00 C ATOM 290 O VAL A 19 14.576 25.925 36.773 1.00 0.00 O ATOM 291 CB VAL A 19 12.765 24.483 38.868 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.349 23.859 40.196 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.944 25.738 38.585 1.00 0.00 C ATOM 0 H VAL A 19 13.932 26.836 39.269 1.00 0.00 H new ATOM 0 HA VAL A 19 14.790 24.000 39.380 1.00 0.00 H new ATOM 0 HB VAL A 19 12.572 23.762 38.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.282 23.638 40.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.907 22.937 40.355 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.560 24.556 41.007 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.883 25.487 38.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.143 26.484 39.354 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.218 26.140 37.610 1.00 0.00 H new ATOM 303 N LEU A 20 15.417 23.849 36.965 1.00 0.00 N ATOM 304 CA LEU A 20 15.956 23.825 35.609 1.00 0.00 C ATOM 305 C LEU A 20 14.883 23.396 34.615 1.00 0.00 C ATOM 306 O LEU A 20 14.941 22.298 34.062 1.00 0.00 O ATOM 307 CB LEU A 20 17.144 22.870 35.535 1.00 0.00 C ATOM 308 CG LEU A 20 18.155 23.325 34.486 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.293 22.315 34.362 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.474 23.529 33.135 1.00 0.00 C ATOM 0 H LEU A 20 15.584 22.997 37.500 1.00 0.00 H new ATOM 0 HA LEU A 20 16.289 24.830 35.351 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.629 22.812 36.510 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.793 21.867 35.294 1.00 0.00 H new ATOM 0 HG LEU A 20 18.574 24.278 34.808 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.003 22.658 33.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.800 22.219 35.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.889 21.347 34.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.212 23.853 32.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.025 22.591 32.808 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.698 24.289 33.230 1.00 0.00 H new ATOM 322 N VAL A 21 13.905 24.268 34.388 1.00 0.00 N ATOM 323 CA VAL A 21 12.818 23.976 33.455 1.00 0.00 C ATOM 324 C VAL A 21 13.231 24.347 32.036 1.00 0.00 C ATOM 325 O VAL A 21 13.163 25.512 31.646 1.00 0.00 O ATOM 326 CB VAL A 21 11.554 24.746 33.846 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.329 24.137 33.168 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.372 24.761 35.362 1.00 0.00 C ATOM 0 H VAL A 21 13.842 25.182 34.836 1.00 0.00 H new ATOM 0 HA VAL A 21 12.605 22.908 33.498 1.00 0.00 H new ATOM 0 HB VAL A 21 11.665 25.776 33.507 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.438 24.696 33.456 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.452 24.183 32.086 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.221 23.097 33.477 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.467 25.314 35.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.286 23.738 35.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.233 25.242 35.827 1.00 0.00 H new ATOM 338 N LYS A 22 13.660 23.351 31.268 1.00 0.00 N ATOM 339 CA LYS A 22 14.086 23.576 29.890 1.00 0.00 C ATOM 340 C LYS A 22 14.222 22.251 29.151 1.00 0.00 C ATOM 341 O LYS A 22 14.573 21.231 29.743 1.00 0.00 O ATOM 342 CB LYS A 22 15.419 24.320 29.873 1.00 0.00 C ATOM 343 CG LYS A 22 15.930 24.513 28.447 1.00 0.00 C ATOM 344 CD LYS A 22 16.904 25.685 28.363 1.00 0.00 C ATOM 345 CE LYS A 22 18.351 25.208 28.438 1.00 0.00 C ATOM 346 NZ LYS A 22 19.042 25.767 29.634 1.00 0.00 N ATOM 0 H LYS A 22 13.722 22.380 31.575 1.00 0.00 H new ATOM 0 HA LYS A 22 13.331 24.180 29.386 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.302 25.291 30.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.155 23.764 30.453 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.423 23.602 28.108 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.088 24.688 27.777 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.745 26.227 27.431 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.706 26.384 29.176 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.376 24.119 28.476 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.883 25.507 27.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.024 25.426 29.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.038 26.806 29.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.547 25.460 30.496 1.00 0.00 H new ATOM 360 N TYR A 23 13.942 22.275 27.852 1.00 0.00 N ATOM 361 CA TYR A 23 14.034 21.077 27.024 1.00 0.00 C ATOM 362 C TYR A 23 14.105 21.457 25.551 1.00 0.00 C ATOM 363 O TYR A 23 13.685 22.547 25.161 1.00 0.00 O ATOM 364 CB TYR A 23 12.827 20.173 27.270 1.00 0.00 C ATOM 365 CG TYR A 23 11.544 20.939 27.464 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.049 21.733 26.445 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.860 20.846 28.662 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.869 22.434 26.626 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.681 21.548 28.842 1.00 0.00 C ATOM 370 CZ TYR A 23 9.191 22.339 27.823 1.00 0.00 C ATOM 371 OH TYR A 23 8.017 23.036 28.003 1.00 0.00 O ATOM 0 H TYR A 23 13.649 23.112 27.349 1.00 0.00 H new ATOM 0 HA TYR A 23 14.942 20.538 27.293 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.713 19.492 26.426 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.014 19.560 28.151 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.583 21.806 25.509 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.246 20.226 29.457 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.480 23.054 25.832 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.146 21.477 29.777 1.00 0.00 H new ATOM 0 HH TYR A 23 7.424 22.530 28.597 1.00 0.00 H new ATOM 381 N GLU A 24 14.640 20.555 24.735 1.00 0.00 N ATOM 382 CA GLU A 24 14.766 20.797 23.302 1.00 0.00 C ATOM 383 C GLU A 24 13.391 20.911 22.651 1.00 0.00 C ATOM 384 O GLU A 24 13.254 21.490 21.573 1.00 0.00 O ATOM 385 CB GLU A 24 15.558 19.667 22.649 1.00 0.00 C ATOM 386 CG GLU A 24 14.951 18.305 22.971 1.00 0.00 C ATOM 387 CD GLU A 24 16.003 17.392 23.587 1.00 0.00 C ATOM 388 OE1 GLU A 24 17.118 17.309 23.031 1.00 0.00 O ATOM 389 OE2 GLU A 24 15.710 16.763 24.625 1.00 0.00 O ATOM 0 H GLU A 24 14.994 19.649 25.042 1.00 0.00 H new ATOM 0 HA GLU A 24 15.297 21.738 23.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.579 19.812 21.569 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.591 19.698 22.995 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.115 18.425 23.660 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.553 17.852 22.063 1.00 0.00 H new ATOM 396 N GLY A 25 12.373 20.358 23.309 1.00 0.00 N ATOM 397 CA GLY A 25 11.006 20.400 22.790 1.00 0.00 C ATOM 398 C GLY A 25 10.648 21.800 22.301 1.00 0.00 C ATOM 399 O GLY A 25 10.876 22.139 21.140 1.00 0.00 O ATOM 0 H GLY A 25 12.469 19.876 24.203 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.902 19.688 21.971 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.308 20.094 23.569 1.00 0.00 H new ATOM 403 N ASP A 26 10.087 22.609 23.194 1.00 0.00 N ATOM 404 CA ASP A 26 9.699 23.973 22.851 1.00 0.00 C ATOM 405 C ASP A 26 10.842 24.938 23.135 1.00 0.00 C ATOM 406 O ASP A 26 11.998 24.529 23.245 1.00 0.00 O ATOM 407 CB ASP A 26 8.464 24.380 23.647 1.00 0.00 C ATOM 408 CG ASP A 26 7.473 25.099 22.742 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.748 24.415 21.990 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.423 26.346 22.787 1.00 0.00 O ATOM 0 H ASP A 26 9.891 22.344 24.159 1.00 0.00 H new ATOM 0 HA ASP A 26 9.466 24.012 21.787 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.996 23.498 24.084 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.752 25.030 24.473 1.00 0.00 H new ATOM 415 N THR A 27 10.517 26.222 23.250 1.00 0.00 N ATOM 416 CA THR A 27 11.525 27.243 23.516 1.00 0.00 C ATOM 417 C THR A 27 11.182 28.037 24.773 1.00 0.00 C ATOM 418 O THR A 27 11.621 29.174 24.940 1.00 0.00 O ATOM 419 CB THR A 27 11.639 28.184 22.323 1.00 0.00 C ATOM 420 OG1 THR A 27 11.862 27.438 21.136 1.00 0.00 O ATOM 421 CG2 THR A 27 12.773 29.177 22.538 1.00 0.00 C ATOM 0 H THR A 27 9.566 26.580 23.163 1.00 0.00 H new ATOM 0 HA THR A 27 12.481 26.745 23.677 1.00 0.00 H new ATOM 0 HB THR A 27 10.706 28.738 22.224 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.932 28.050 20.374 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.842 29.842 21.677 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.578 29.764 23.436 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.712 28.637 22.655 1.00 0.00 H new ATOM 429 N MET A 28 10.407 27.427 25.661 1.00 0.00 N ATOM 430 CA MET A 28 10.015 28.072 26.913 1.00 0.00 C ATOM 431 C MET A 28 9.229 29.347 26.647 1.00 0.00 C ATOM 432 O MET A 28 9.693 30.240 25.940 1.00 0.00 O ATOM 433 CB MET A 28 11.256 28.411 27.723 1.00 0.00 C ATOM 434 CG MET A 28 11.933 27.151 28.255 1.00 0.00 C ATOM 435 SD MET A 28 13.729 27.257 28.189 1.00 0.00 S ATOM 436 CE MET A 28 14.013 27.131 26.416 1.00 0.00 C ATOM 0 H MET A 28 10.036 26.485 25.539 1.00 0.00 H new ATOM 0 HA MET A 28 9.382 27.381 27.469 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.957 28.968 27.102 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.983 29.059 28.556 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.619 26.981 29.285 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.601 26.291 27.674 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.057 26.879 26.232 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.373 26.353 25.999 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.781 28.085 25.942 1.00 0.00 H new ATOM 446 N ALA A 29 8.037 29.429 27.227 1.00 0.00 N ATOM 447 CA ALA A 29 7.182 30.599 27.060 1.00 0.00 C ATOM 448 C ALA A 29 6.856 31.212 28.416 1.00 0.00 C ATOM 449 O ALA A 29 7.203 32.360 28.690 1.00 0.00 O ATOM 450 CB ALA A 29 5.895 30.200 26.350 1.00 0.00 C ATOM 0 H ALA A 29 7.640 28.698 27.818 1.00 0.00 H new ATOM 0 HA ALA A 29 7.710 31.338 26.458 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.260 31.077 26.228 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.133 29.785 25.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.369 29.451 26.943 1.00 0.00 H new ATOM 456 N GLU A 30 6.187 30.434 29.260 1.00 0.00 N ATOM 457 CA GLU A 30 5.809 30.891 30.594 1.00 0.00 C ATOM 458 C GLU A 30 5.821 29.723 31.570 1.00 0.00 C ATOM 459 O GLU A 30 5.970 28.570 31.166 1.00 0.00 O ATOM 460 CB GLU A 30 4.421 31.524 30.555 1.00 0.00 C ATOM 461 CG GLU A 30 4.438 32.928 31.154 1.00 0.00 C ATOM 462 CD GLU A 30 3.091 33.248 31.789 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.070 33.217 31.070 1.00 0.00 O ATOM 464 OE2 GLU A 30 3.059 33.530 33.005 1.00 0.00 O ATOM 0 H GLU A 30 5.894 29.481 29.044 1.00 0.00 H new ATOM 0 HA GLU A 30 6.530 31.637 30.928 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.068 31.569 29.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.718 30.899 31.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.227 33.002 31.902 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.665 33.659 30.378 1.00 0.00 H new ATOM 471 N VAL A 31 5.668 30.023 32.856 1.00 0.00 N ATOM 472 CA VAL A 31 5.667 28.985 33.883 1.00 0.00 C ATOM 473 C VAL A 31 5.578 29.608 35.273 1.00 0.00 C ATOM 474 O VAL A 31 6.024 30.733 35.499 1.00 0.00 O ATOM 475 CB VAL A 31 6.925 28.106 33.737 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.147 28.956 33.403 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.192 27.267 34.990 1.00 0.00 C ATOM 0 H VAL A 31 5.544 30.971 33.211 1.00 0.00 H new ATOM 0 HA VAL A 31 4.790 28.350 33.752 1.00 0.00 H new ATOM 0 HB VAL A 31 6.736 27.418 32.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.022 28.313 33.305 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.978 29.484 32.464 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.316 29.679 34.201 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.088 26.664 34.840 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.337 27.927 35.845 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.341 26.612 35.177 1.00 0.00 H new ATOM 487 N GLU A 32 4.986 28.856 36.194 1.00 0.00 N ATOM 488 CA GLU A 32 4.810 29.302 37.567 1.00 0.00 C ATOM 489 C GLU A 32 5.061 28.144 38.527 1.00 0.00 C ATOM 490 O GLU A 32 5.224 27.001 38.100 1.00 0.00 O ATOM 491 CB GLU A 32 3.398 29.844 37.739 1.00 0.00 C ATOM 492 CG GLU A 32 2.357 28.804 37.339 1.00 0.00 C ATOM 493 CD GLU A 32 1.865 29.071 35.923 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.978 29.935 35.754 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.366 28.417 34.985 1.00 0.00 O ATOM 0 H GLU A 32 4.616 27.924 36.009 1.00 0.00 H new ATOM 0 HA GLU A 32 5.525 30.093 37.792 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.242 30.138 38.777 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.273 30.740 37.131 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.788 27.805 37.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.518 28.832 38.035 1.00 0.00 H new ATOM 502 N LEU A 33 5.111 28.440 39.823 1.00 0.00 N ATOM 503 CA LEU A 33 5.364 27.426 40.828 1.00 0.00 C ATOM 504 C LEU A 33 4.264 27.455 41.893 1.00 0.00 C ATOM 505 O LEU A 33 3.627 28.482 42.117 1.00 0.00 O ATOM 506 CB LEU A 33 6.753 27.694 41.432 1.00 0.00 C ATOM 507 CG LEU A 33 6.942 27.055 42.803 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.008 25.534 42.685 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.202 27.593 43.475 1.00 0.00 C ATOM 0 H LEU A 33 4.978 29.379 40.197 1.00 0.00 H new ATOM 0 HA LEU A 33 5.353 26.429 40.387 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.517 27.316 40.753 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.905 28.770 41.515 1.00 0.00 H new ATOM 0 HG LEU A 33 6.083 27.314 43.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.143 25.098 43.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.081 25.162 42.248 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.847 25.255 42.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.321 27.126 44.453 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.070 27.365 42.856 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.117 28.673 43.597 1.00 0.00 H new ATOM 521 N ARG A 34 4.062 26.316 42.551 1.00 0.00 N ATOM 522 CA ARG A 34 3.058 26.191 43.604 1.00 0.00 C ATOM 523 C ARG A 34 3.563 25.235 44.679 1.00 0.00 C ATOM 524 O ARG A 34 4.609 24.609 44.516 1.00 0.00 O ATOM 525 CB ARG A 34 1.743 25.679 43.021 1.00 0.00 C ATOM 526 CG ARG A 34 0.544 26.240 43.783 1.00 0.00 C ATOM 527 CD ARG A 34 -0.153 25.153 44.597 1.00 0.00 C ATOM 528 NE ARG A 34 -1.104 24.425 43.763 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.390 24.336 44.086 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.757 23.689 45.184 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.310 24.892 43.311 1.00 0.00 N ATOM 0 H ARG A 34 4.586 25.459 42.371 1.00 0.00 H new ATOM 0 HA ARG A 34 2.882 27.171 44.048 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.674 25.961 41.970 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.725 24.590 43.060 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.874 27.039 44.447 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.163 26.681 43.080 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.587 24.463 45.003 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.671 25.601 45.445 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.773 23.973 42.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.052 23.259 45.782 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.745 23.622 45.430 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.032 25.389 42.465 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.297 24.823 43.560 1.00 0.00 H new ATOM 545 N GLU A 35 2.824 25.119 45.778 1.00 0.00 N ATOM 546 CA GLU A 35 3.222 24.230 46.864 1.00 0.00 C ATOM 547 C GLU A 35 2.035 23.389 47.323 1.00 0.00 C ATOM 548 O GLU A 35 1.812 22.292 46.809 1.00 0.00 O ATOM 549 CB GLU A 35 3.787 25.043 48.028 1.00 0.00 C ATOM 550 CG GLU A 35 5.116 25.695 47.659 1.00 0.00 C ATOM 551 CD GLU A 35 4.891 27.137 47.225 1.00 0.00 C ATOM 552 OE1 GLU A 35 3.846 27.415 46.601 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.761 27.987 47.511 1.00 0.00 O ATOM 0 H GLU A 35 1.953 25.625 45.940 1.00 0.00 H new ATOM 0 HA GLU A 35 3.999 23.557 46.501 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.071 25.812 48.318 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.926 24.394 48.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.793 25.666 48.513 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.593 25.135 46.854 1.00 0.00 H new ATOM 560 N HIS A 36 1.274 23.898 48.290 1.00 0.00 N ATOM 561 CA HIS A 36 0.121 23.181 48.805 1.00 0.00 C ATOM 562 C HIS A 36 -0.604 24.018 49.855 1.00 0.00 C ATOM 563 O HIS A 36 0.021 24.770 50.602 1.00 0.00 O ATOM 564 CB HIS A 36 0.578 21.857 49.405 1.00 0.00 C ATOM 565 CG HIS A 36 1.339 22.021 50.686 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.754 21.950 51.924 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.654 22.252 50.934 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.643 22.125 52.875 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.821 22.313 52.305 1.00 0.00 N ATOM 0 H HIS A 36 1.439 24.804 48.729 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.574 22.986 47.988 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.293 21.227 49.585 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.205 21.335 48.682 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.431 22.367 50.193 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.446 22.117 53.937 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.702 22.475 52.793 1.00 0.00 H new ATOM 577 N GLY A 37 -1.925 23.882 49.905 1.00 0.00 N ATOM 578 CA GLY A 37 -2.735 24.625 50.864 1.00 0.00 C ATOM 579 C GLY A 37 -2.591 26.127 50.647 1.00 0.00 C ATOM 580 O GLY A 37 -2.542 26.899 51.604 1.00 0.00 O ATOM 0 H GLY A 37 -2.458 23.264 49.293 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.781 24.337 50.763 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.431 24.369 51.879 1.00 0.00 H new ATOM 584 N SER A 38 -2.525 26.535 49.384 1.00 0.00 N ATOM 585 CA SER A 38 -2.387 27.948 49.042 1.00 0.00 C ATOM 586 C SER A 38 -3.587 28.418 48.230 1.00 0.00 C ATOM 587 O SER A 38 -4.447 27.621 47.855 1.00 0.00 O ATOM 588 CB SER A 38 -1.102 28.173 48.250 1.00 0.00 C ATOM 589 OG SER A 38 -0.594 29.477 48.488 1.00 0.00 O ATOM 0 H SER A 38 -2.565 25.909 48.580 1.00 0.00 H new ATOM 0 HA SER A 38 -2.341 28.526 49.965 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.358 27.429 48.534 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.296 28.040 47.186 1.00 0.00 H new ATOM 0 HG SER A 38 0.231 29.605 47.975 1.00 0.00 H new ATOM 595 N ASP A 39 -3.639 29.719 47.963 1.00 0.00 N ATOM 596 CA ASP A 39 -4.735 30.305 47.195 1.00 0.00 C ATOM 597 C ASP A 39 -4.746 29.754 45.775 1.00 0.00 C ATOM 598 O ASP A 39 -5.633 28.985 45.403 1.00 0.00 O ATOM 599 CB ASP A 39 -4.587 31.823 47.157 1.00 0.00 C ATOM 600 CG ASP A 39 -4.978 32.425 48.500 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.798 31.810 49.213 1.00 0.00 O ATOM 602 OD2 ASP A 39 -4.462 33.512 48.837 1.00 0.00 O ATOM 0 H ASP A 39 -2.934 30.390 48.267 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.677 30.045 47.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.558 32.089 46.917 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.215 32.237 46.368 1.00 0.00 H new ATOM 607 N GLU A 40 -3.756 30.155 44.986 1.00 0.00 N ATOM 608 CA GLU A 40 -3.646 29.709 43.602 1.00 0.00 C ATOM 609 C GLU A 40 -2.193 29.754 43.154 1.00 0.00 C ATOM 610 O GLU A 40 -1.325 30.239 43.879 1.00 0.00 O ATOM 611 CB GLU A 40 -4.494 30.601 42.700 1.00 0.00 C ATOM 612 CG GLU A 40 -5.865 29.986 42.439 1.00 0.00 C ATOM 613 CD GLU A 40 -6.908 31.081 42.258 1.00 0.00 C ATOM 614 OE1 GLU A 40 -6.875 31.768 41.216 1.00 0.00 O ATOM 615 OE2 GLU A 40 -7.757 31.250 43.159 1.00 0.00 O ATOM 0 H GLU A 40 -3.015 30.791 45.282 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.007 28.683 43.531 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.615 31.580 43.164 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.978 30.759 41.753 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.827 29.360 41.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.146 29.340 43.271 1.00 0.00 H new ATOM 622 N TRP A 41 -1.932 29.251 41.953 1.00 0.00 N ATOM 623 CA TRP A 41 -0.580 29.240 41.408 1.00 0.00 C ATOM 624 C TRP A 41 0.021 30.638 41.465 1.00 0.00 C ATOM 625 O TRP A 41 -0.698 31.635 41.408 1.00 0.00 O ATOM 626 CB TRP A 41 -0.603 28.746 39.966 1.00 0.00 C ATOM 627 CG TRP A 41 -1.090 27.335 39.842 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.390 26.912 39.848 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.279 26.151 39.690 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.411 25.552 39.710 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.148 25.056 39.611 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.095 25.914 39.613 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.687 23.759 39.460 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.565 24.616 39.462 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.681 23.548 39.387 1.00 0.00 C ATOM 0 H TRP A 41 -2.638 28.846 41.339 1.00 0.00 H new ATOM 0 HA TRP A 41 0.033 28.567 42.007 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.243 29.400 39.373 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.401 28.817 39.547 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.258 27.548 39.946 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.259 24.986 39.685 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.791 26.738 39.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.378 22.931 39.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.628 24.436 39.402 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.062 22.544 39.271 1.00 0.00 H new ATOM 646 N VAL A 42 1.343 30.708 41.579 1.00 0.00 N ATOM 647 CA VAL A 42 2.035 31.990 41.643 1.00 0.00 C ATOM 648 C VAL A 42 3.068 32.092 40.528 1.00 0.00 C ATOM 649 O VAL A 42 4.003 31.294 40.460 1.00 0.00 O ATOM 650 CB VAL A 42 2.711 32.149 43.003 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.670 32.409 44.088 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.534 30.910 43.341 1.00 0.00 C ATOM 0 H VAL A 42 1.956 29.894 41.629 1.00 0.00 H new ATOM 0 HA VAL A 42 1.305 32.789 41.513 1.00 0.00 H new ATOM 0 HB VAL A 42 3.383 33.006 42.955 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.168 32.520 45.051 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.122 33.322 43.855 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.975 31.571 44.134 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.008 31.042 44.314 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.882 30.037 43.371 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.301 30.764 42.580 1.00 0.00 H new ATOM 662 N ALA A 43 2.890 33.076 39.653 1.00 0.00 N ATOM 663 CA ALA A 43 3.803 33.285 38.533 1.00 0.00 C ATOM 664 C ALA A 43 5.247 33.319 39.017 1.00 0.00 C ATOM 665 O ALA A 43 5.563 33.969 40.014 1.00 0.00 O ATOM 666 CB ALA A 43 3.467 34.593 37.824 1.00 0.00 C ATOM 0 H ALA A 43 2.120 33.743 39.697 1.00 0.00 H new ATOM 0 HA ALA A 43 3.688 32.456 37.835 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.153 34.741 36.990 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.444 34.552 37.450 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.564 35.422 38.525 1.00 0.00 H new ATOM 672 N MET A 44 6.121 32.617 38.303 1.00 0.00 N ATOM 673 CA MET A 44 7.536 32.569 38.656 1.00 0.00 C ATOM 674 C MET A 44 8.185 33.925 38.414 1.00 0.00 C ATOM 675 O MET A 44 7.498 34.919 38.179 1.00 0.00 O ATOM 676 CB MET A 44 8.246 31.500 37.829 1.00 0.00 C ATOM 677 CG MET A 44 8.634 30.301 38.690 1.00 0.00 C ATOM 678 SD MET A 44 10.329 30.405 39.286 1.00 0.00 S ATOM 679 CE MET A 44 10.657 28.680 39.683 1.00 0.00 C ATOM 0 H MET A 44 5.874 32.073 37.476 1.00 0.00 H new ATOM 0 HA MET A 44 7.624 32.319 39.713 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.596 31.173 37.018 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.139 31.925 37.370 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.956 30.233 39.541 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.511 29.386 38.111 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.684 28.576 40.033 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.973 28.350 40.465 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.513 28.068 38.793 1.00 0.00 H new ATOM 689 N THR A 45 9.512 33.961 38.470 1.00 0.00 N ATOM 690 CA THR A 45 10.253 35.199 38.254 1.00 0.00 C ATOM 691 C THR A 45 11.592 34.906 37.592 1.00 0.00 C ATOM 692 O THR A 45 12.516 34.405 38.234 1.00 0.00 O ATOM 693 CB THR A 45 10.476 35.915 39.584 1.00 0.00 C ATOM 694 OG1 THR A 45 9.240 36.076 40.262 1.00 0.00 O ATOM 695 CG2 THR A 45 11.132 37.274 39.361 1.00 0.00 C ATOM 0 H THR A 45 10.097 33.148 38.663 1.00 0.00 H new ATOM 0 HA THR A 45 9.670 35.843 37.596 1.00 0.00 H new ATOM 0 HB THR A 45 11.142 35.307 40.196 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.392 36.535 41.115 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.282 37.768 40.321 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.095 37.137 38.869 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.488 37.890 38.733 1.00 0.00 H new ATOM 703 N LYS A 46 11.693 35.222 36.305 1.00 0.00 N ATOM 704 CA LYS A 46 12.923 34.993 35.556 1.00 0.00 C ATOM 705 C LYS A 46 14.017 35.934 36.041 1.00 0.00 C ATOM 706 O LYS A 46 14.192 37.027 35.504 1.00 0.00 O ATOM 707 CB LYS A 46 12.676 35.211 34.065 1.00 0.00 C ATOM 708 CG LYS A 46 12.014 36.561 33.806 1.00 0.00 C ATOM 709 CD LYS A 46 12.908 37.463 32.959 1.00 0.00 C ATOM 710 CE LYS A 46 12.998 36.963 31.520 1.00 0.00 C ATOM 711 NZ LYS A 46 14.317 37.297 30.912 1.00 0.00 N ATOM 0 H LYS A 46 10.938 35.637 35.759 1.00 0.00 H new ATOM 0 HA LYS A 46 13.244 33.964 35.718 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.622 35.158 33.526 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.043 34.413 33.678 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.061 36.410 33.299 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.796 37.050 34.756 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.516 38.480 32.969 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.906 37.502 33.395 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.848 35.884 31.498 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.199 37.408 30.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.348 36.944 29.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.448 38.329 30.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.077 36.851 31.465 1.00 0.00 H new ATOM 725 N GLY A 47 14.750 35.505 37.063 1.00 0.00 N ATOM 726 CA GLY A 47 15.828 36.314 37.623 1.00 0.00 C ATOM 727 C GLY A 47 17.084 35.478 37.835 1.00 0.00 C ATOM 728 O GLY A 47 17.948 35.835 38.636 1.00 0.00 O ATOM 0 H GLY A 47 14.618 34.603 37.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.049 37.146 36.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.509 36.745 38.572 1.00 0.00 H new ATOM 732 N GLU A 48 17.184 34.366 37.114 1.00 0.00 N ATOM 733 CA GLU A 48 18.338 33.484 37.227 1.00 0.00 C ATOM 734 C GLU A 48 19.200 33.579 35.975 1.00 0.00 C ATOM 735 O GLU A 48 18.861 34.291 35.030 1.00 0.00 O ATOM 736 CB GLU A 48 17.872 32.047 37.429 1.00 0.00 C ATOM 737 CG GLU A 48 18.187 31.559 38.840 1.00 0.00 C ATOM 738 CD GLU A 48 19.611 31.024 38.906 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.464 31.505 38.132 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.871 30.125 39.733 1.00 0.00 O ATOM 0 H GLU A 48 16.479 34.055 36.445 1.00 0.00 H new ATOM 0 HA GLU A 48 18.934 33.792 38.086 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.799 31.981 37.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.358 31.398 36.700 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.064 32.376 39.551 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.484 30.778 39.128 1.00 0.00 H new ATOM 747 N GLY A 49 20.314 32.857 35.974 1.00 0.00 N ATOM 748 CA GLY A 49 21.227 32.859 34.836 1.00 0.00 C ATOM 749 C GLY A 49 20.539 32.311 33.593 1.00 0.00 C ATOM 750 O GLY A 49 20.660 32.873 32.505 1.00 0.00 O ATOM 0 H GLY A 49 20.608 32.262 36.749 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.577 33.874 34.646 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.105 32.256 35.067 1.00 0.00 H new ATOM 754 N GLY A 50 19.814 31.209 33.762 1.00 0.00 N ATOM 755 CA GLY A 50 19.103 30.581 32.654 1.00 0.00 C ATOM 756 C GLY A 50 18.009 29.656 33.171 1.00 0.00 C ATOM 757 O GLY A 50 17.691 28.645 32.544 1.00 0.00 O ATOM 0 H GLY A 50 19.704 30.732 34.657 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.666 31.348 32.015 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.804 30.016 32.040 1.00 0.00 H new ATOM 761 N VAL A 51 17.437 30.006 34.319 1.00 0.00 N ATOM 762 CA VAL A 51 16.377 29.205 34.923 1.00 0.00 C ATOM 763 C VAL A 51 15.373 30.101 35.636 1.00 0.00 C ATOM 764 O VAL A 51 15.508 31.324 35.637 1.00 0.00 O ATOM 765 CB VAL A 51 16.975 28.209 35.910 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.647 27.060 35.166 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.969 28.906 36.834 1.00 0.00 C ATOM 0 H VAL A 51 17.690 30.839 34.850 1.00 0.00 H new ATOM 0 HA VAL A 51 15.860 28.660 34.133 1.00 0.00 H new ATOM 0 HB VAL A 51 16.170 27.799 36.519 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.069 26.358 35.885 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.911 26.547 34.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.443 27.452 34.533 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.387 28.181 37.532 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.772 29.343 36.241 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.459 29.693 37.390 1.00 0.00 H new ATOM 777 N TRP A 52 14.361 29.484 36.239 1.00 0.00 N ATOM 778 CA TRP A 52 13.326 30.223 36.954 1.00 0.00 C ATOM 779 C TRP A 52 13.504 30.070 38.459 1.00 0.00 C ATOM 780 O TRP A 52 13.833 28.990 38.949 1.00 0.00 O ATOM 781 CB TRP A 52 11.950 29.712 36.538 1.00 0.00 C ATOM 782 CG TRP A 52 11.861 29.443 35.068 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.399 28.304 34.470 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.257 30.330 34.002 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.483 28.455 33.113 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.000 29.673 32.793 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.800 31.616 33.957 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.268 30.258 31.567 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.071 32.207 32.731 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.806 31.533 31.546 1.00 0.00 C ATOM 0 H TRP A 52 14.236 28.472 36.246 1.00 0.00 H new ATOM 0 HA TRP A 52 13.411 31.280 36.701 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.724 28.797 37.086 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.194 30.446 36.817 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.029 27.429 34.984 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.197 27.750 32.433 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.008 32.149 34.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.062 29.731 30.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.492 33.201 32.698 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.022 32.008 30.600 1.00 0.00 H new ATOM 801 N THR A 53 13.282 31.159 39.188 1.00 0.00 N ATOM 802 CA THR A 53 13.414 31.152 40.641 1.00 0.00 C ATOM 803 C THR A 53 12.276 31.939 41.277 1.00 0.00 C ATOM 804 O THR A 53 11.715 32.844 40.660 1.00 0.00 O ATOM 805 CB THR A 53 14.754 31.760 41.045 1.00 0.00 C ATOM 806 OG1 THR A 53 15.215 32.636 40.028 1.00 0.00 O ATOM 807 CG2 THR A 53 15.789 30.670 41.305 1.00 0.00 C ATOM 0 H THR A 53 13.009 32.060 38.795 1.00 0.00 H new ATOM 0 HA THR A 53 13.369 30.121 40.992 1.00 0.00 H new ATOM 0 HB THR A 53 14.612 32.324 41.967 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.075 33.024 40.295 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.736 31.128 41.591 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.441 30.022 42.110 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.931 30.080 40.400 1.00 0.00 H new ATOM 815 N PHE A 54 11.936 31.589 42.513 1.00 0.00 N ATOM 816 CA PHE A 54 10.860 32.266 43.229 1.00 0.00 C ATOM 817 C PHE A 54 10.999 32.055 44.731 1.00 0.00 C ATOM 818 O PHE A 54 11.365 30.971 45.186 1.00 0.00 O ATOM 819 CB PHE A 54 9.510 31.739 42.752 1.00 0.00 C ATOM 820 CG PHE A 54 8.358 32.621 43.159 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.076 33.769 42.438 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.580 32.284 44.254 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.018 34.580 42.811 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.521 33.094 44.628 1.00 0.00 C ATOM 825 CZ PHE A 54 6.240 34.242 43.906 1.00 0.00 C ATOM 0 H PHE A 54 12.389 30.842 43.039 1.00 0.00 H new ATOM 0 HA PHE A 54 10.923 33.334 43.023 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.525 31.648 41.666 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.354 30.738 43.154 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.682 34.032 41.584 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.799 31.389 44.817 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.799 35.476 42.249 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.915 32.831 45.482 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.414 34.874 44.197 1.00 0.00 H new ATOM 835 N ASP A 55 10.701 33.099 45.498 1.00 0.00 N ATOM 836 CA ASP A 55 10.788 33.033 46.952 1.00 0.00 C ATOM 837 C ASP A 55 9.436 32.660 47.545 1.00 0.00 C ATOM 838 O ASP A 55 8.420 33.285 47.240 1.00 0.00 O ATOM 839 CB ASP A 55 11.245 34.379 47.508 1.00 0.00 C ATOM 840 CG ASP A 55 10.217 35.456 47.190 1.00 0.00 C ATOM 841 OD1 ASP A 55 9.631 35.413 46.087 1.00 0.00 O ATOM 842 OD2 ASP A 55 9.998 36.341 48.043 1.00 0.00 O ATOM 0 H ASP A 55 10.397 34.002 45.135 1.00 0.00 H new ATOM 0 HA ASP A 55 11.515 32.268 47.225 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.385 34.307 48.587 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.210 34.649 47.079 1.00 0.00 H new ATOM 847 N SER A 56 9.429 31.637 48.392 1.00 0.00 N ATOM 848 CA SER A 56 8.199 31.177 49.028 1.00 0.00 C ATOM 849 C SER A 56 8.041 31.817 50.401 1.00 0.00 C ATOM 850 O SER A 56 9.022 32.025 51.115 1.00 0.00 O ATOM 851 CB SER A 56 8.220 29.658 49.161 1.00 0.00 C ATOM 852 OG SER A 56 8.918 29.270 50.335 1.00 0.00 O ATOM 0 H SER A 56 10.262 31.110 48.655 1.00 0.00 H new ATOM 0 HA SER A 56 7.353 31.470 48.407 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.200 29.276 49.195 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.696 29.217 48.285 1.00 0.00 H new ATOM 0 HG SER A 56 8.921 28.293 50.406 1.00 0.00 H new ATOM 858 N GLU A 57 6.801 32.127 50.766 1.00 0.00 N ATOM 859 CA GLU A 57 6.516 32.743 52.057 1.00 0.00 C ATOM 860 C GLU A 57 5.922 31.718 53.015 1.00 0.00 C ATOM 861 O GLU A 57 5.192 32.069 53.942 1.00 0.00 O ATOM 862 CB GLU A 57 5.548 33.909 51.877 1.00 0.00 C ATOM 863 CG GLU A 57 6.121 34.962 50.933 1.00 0.00 C ATOM 864 CD GLU A 57 5.927 34.533 49.485 1.00 0.00 C ATOM 865 OE1 GLU A 57 4.800 34.130 49.129 1.00 0.00 O ATOM 866 OE2 GLU A 57 6.903 34.601 48.708 1.00 0.00 O ATOM 0 H GLU A 57 5.978 31.962 50.186 1.00 0.00 H new ATOM 0 HA GLU A 57 7.449 33.116 52.479 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.601 33.541 51.483 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.336 34.362 52.846 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.630 35.920 51.105 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.182 35.106 51.138 1.00 0.00 H new ATOM 873 N GLU A 58 6.239 30.447 52.786 1.00 0.00 N ATOM 874 CA GLU A 58 5.737 29.368 53.630 1.00 0.00 C ATOM 875 C GLU A 58 6.869 28.419 54.003 1.00 0.00 C ATOM 876 O GLU A 58 7.881 28.345 53.307 1.00 0.00 O ATOM 877 CB GLU A 58 4.636 28.605 52.899 1.00 0.00 C ATOM 878 CG GLU A 58 5.135 28.061 51.563 1.00 0.00 C ATOM 879 CD GLU A 58 3.972 27.893 50.593 1.00 0.00 C ATOM 880 OE1 GLU A 58 3.534 28.906 50.007 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.501 26.749 50.421 1.00 0.00 O ATOM 0 H GLU A 58 6.841 30.139 52.023 1.00 0.00 H new ATOM 0 HA GLU A 58 5.326 29.799 54.543 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.285 27.782 53.522 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.784 29.263 52.731 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.875 28.740 51.140 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.632 27.103 51.715 1.00 0.00 H new ATOM 888 N PRO A 59 6.713 27.677 55.112 1.00 0.00 N ATOM 889 CA PRO A 59 7.699 26.730 55.598 1.00 0.00 C ATOM 890 C PRO A 59 7.418 25.307 55.127 1.00 0.00 C ATOM 891 O PRO A 59 7.700 24.341 55.836 1.00 0.00 O ATOM 892 CB PRO A 59 7.539 26.851 57.107 1.00 0.00 C ATOM 893 CG PRO A 59 6.161 27.369 57.352 1.00 0.00 C ATOM 894 CD PRO A 59 5.564 27.680 56.013 1.00 0.00 C ATOM 0 HA PRO A 59 8.706 26.939 55.237 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.681 25.884 57.590 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.286 27.527 57.522 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.559 26.629 57.880 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.190 28.261 57.978 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.825 26.934 55.721 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.059 28.646 56.014 1.00 0.00 H new ATOM 902 N LEU A 60 6.858 25.184 53.926 1.00 0.00 N ATOM 903 CA LEU A 60 6.536 23.877 53.360 1.00 0.00 C ATOM 904 C LEU A 60 7.736 22.941 53.447 1.00 0.00 C ATOM 905 O LEU A 60 8.868 23.380 53.648 1.00 0.00 O ATOM 906 CB LEU A 60 6.063 24.026 51.905 1.00 0.00 C ATOM 907 CG LEU A 60 7.196 24.377 50.929 1.00 0.00 C ATOM 908 CD1 LEU A 60 8.098 25.475 51.488 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.013 23.137 50.570 1.00 0.00 C ATOM 0 H LEU A 60 6.618 25.973 53.326 1.00 0.00 H new ATOM 0 HA LEU A 60 5.725 23.439 53.942 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.594 23.095 51.586 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.298 24.801 51.857 1.00 0.00 H new ATOM 0 HG LEU A 60 6.735 24.759 50.018 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.888 25.697 50.771 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.508 26.374 51.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.543 25.139 52.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.808 23.413 49.878 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.450 22.715 51.475 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.364 22.397 50.101 1.00 0.00 H new ATOM 921 N GLN A 61 7.481 21.645 53.300 1.00 0.00 N ATOM 922 CA GLN A 61 8.538 20.641 53.365 1.00 0.00 C ATOM 923 C GLN A 61 8.146 19.407 52.564 1.00 0.00 C ATOM 924 O GLN A 61 8.592 18.297 52.856 1.00 0.00 O ATOM 925 CB GLN A 61 8.802 20.255 54.818 1.00 0.00 C ATOM 926 CG GLN A 61 7.498 20.000 55.569 1.00 0.00 C ATOM 927 CD GLN A 61 7.773 19.265 56.874 1.00 0.00 C ATOM 928 OE1 GLN A 61 7.700 18.038 56.935 1.00 0.00 O ATOM 929 NE2 GLN A 61 8.092 20.017 57.922 1.00 0.00 N ATOM 0 H GLN A 61 6.549 21.264 53.135 1.00 0.00 H new ATOM 0 HA GLN A 61 9.447 21.063 52.936 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.425 19.361 54.852 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.360 21.050 55.312 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.999 20.947 55.775 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.822 19.412 54.948 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.141 21.031 57.826 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.288 19.580 58.823 1.00 0.00 H new ATOM 938 N GLY A 62 7.308 19.608 51.552 1.00 0.00 N ATOM 939 CA GLY A 62 6.852 18.512 50.706 1.00 0.00 C ATOM 940 C GLY A 62 7.231 18.759 49.250 1.00 0.00 C ATOM 941 O GLY A 62 8.187 19.481 48.963 1.00 0.00 O ATOM 0 H GLY A 62 6.931 20.521 51.298 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.293 17.575 51.047 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.771 18.406 50.792 1.00 0.00 H new ATOM 945 N PRO A 63 6.484 18.158 48.308 1.00 0.00 N ATOM 946 CA PRO A 63 6.747 18.312 46.872 1.00 0.00 C ATOM 947 C PRO A 63 6.199 19.625 46.324 1.00 0.00 C ATOM 948 O PRO A 63 5.369 20.276 46.958 1.00 0.00 O ATOM 949 CB PRO A 63 6.030 17.127 46.242 1.00 0.00 C ATOM 950 CG PRO A 63 4.943 16.752 47.199 1.00 0.00 C ATOM 951 CD PRO A 63 5.331 17.278 48.563 1.00 0.00 C ATOM 0 HA PRO A 63 7.815 18.336 46.655 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.619 17.392 45.268 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.716 16.295 46.083 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.991 17.177 46.882 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.815 15.670 47.228 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.509 17.825 49.025 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.594 16.466 49.241 1.00 0.00 H new ATOM 959 N PHE A 64 6.668 20.004 45.140 1.00 0.00 N ATOM 960 CA PHE A 64 6.226 21.238 44.498 1.00 0.00 C ATOM 961 C PHE A 64 5.285 20.923 43.343 1.00 0.00 C ATOM 962 O PHE A 64 4.930 19.767 43.116 1.00 0.00 O ATOM 963 CB PHE A 64 7.433 22.019 43.983 1.00 0.00 C ATOM 964 CG PHE A 64 8.248 22.646 45.085 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.687 23.615 45.900 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.563 22.256 45.281 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.438 24.193 46.910 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.315 22.834 46.290 1.00 0.00 C ATOM 969 CZ PHE A 64 9.753 23.802 47.105 1.00 0.00 C ATOM 0 H PHE A 64 7.355 19.474 44.604 1.00 0.00 H new ATOM 0 HA PHE A 64 5.694 21.843 45.232 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.070 21.351 43.404 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.090 22.800 43.304 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.662 23.920 45.748 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.002 21.500 44.646 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.999 24.948 47.545 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.340 22.530 46.441 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.339 24.252 47.892 1.00 0.00 H new ATOM 979 N ASN A 65 4.888 21.959 42.612 1.00 0.00 N ATOM 980 CA ASN A 65 3.990 21.795 41.474 1.00 0.00 C ATOM 981 C ASN A 65 4.258 22.879 40.440 1.00 0.00 C ATOM 982 O ASN A 65 4.522 24.030 40.788 1.00 0.00 O ATOM 983 CB ASN A 65 2.535 21.863 41.935 1.00 0.00 C ATOM 984 CG ASN A 65 2.345 21.069 43.222 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.043 19.876 43.189 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.521 21.733 44.359 1.00 0.00 N ATOM 0 H ASN A 65 5.174 22.922 42.787 1.00 0.00 H new ATOM 0 HA ASN A 65 4.170 20.819 41.022 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.246 22.902 42.096 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.882 21.467 41.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.406 21.254 45.252 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.771 22.722 44.339 1.00 0.00 H new ATOM 993 N PHE A 66 4.197 22.507 39.165 1.00 0.00 N ATOM 994 CA PHE A 66 4.443 23.455 38.084 1.00 0.00 C ATOM 995 C PHE A 66 3.441 23.261 36.953 1.00 0.00 C ATOM 996 O PHE A 66 2.582 22.381 37.010 1.00 0.00 O ATOM 997 CB PHE A 66 5.862 23.277 37.553 1.00 0.00 C ATOM 998 CG PHE A 66 6.905 23.910 38.440 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.326 23.260 39.589 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.442 25.143 38.107 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.284 23.841 40.402 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.400 25.724 38.921 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.821 25.074 40.069 1.00 0.00 C ATOM 0 H PHE A 66 3.980 21.559 38.856 1.00 0.00 H new ATOM 0 HA PHE A 66 4.326 24.464 38.479 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.076 22.213 37.452 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.928 23.712 36.556 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.907 22.300 39.850 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.113 25.651 37.212 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.613 23.333 41.296 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.819 26.685 38.660 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.567 25.528 40.704 1.00 0.00 H new ATOM 1013 N ARG A 67 3.564 24.094 35.926 1.00 0.00 N ATOM 1014 CA ARG A 67 2.681 24.037 34.766 1.00 0.00 C ATOM 1015 C ARG A 67 3.019 25.176 33.813 1.00 0.00 C ATOM 1016 O ARG A 67 2.401 26.239 33.856 1.00 0.00 O ATOM 1017 CB ARG A 67 1.224 24.139 35.207 1.00 0.00 C ATOM 1018 CG ARG A 67 1.013 25.315 36.156 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.116 26.220 35.672 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.410 25.647 36.027 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.548 26.142 35.550 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.116 27.186 36.137 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.118 25.591 34.488 1.00 0.00 N ATOM 0 H ARG A 67 4.274 24.824 35.873 1.00 0.00 H new ATOM 0 HA ARG A 67 2.824 23.085 34.255 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.584 24.256 34.332 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.925 23.214 35.699 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.782 24.943 37.154 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.935 25.891 36.236 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.014 27.210 36.117 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.051 26.348 34.591 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.442 24.846 36.657 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.680 27.611 36.956 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.989 27.565 35.770 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.684 24.786 34.036 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.991 25.971 34.123 1.00 0.00 H new ATOM 1037 N PHE A 68 4.016 24.951 32.964 1.00 0.00 N ATOM 1038 CA PHE A 68 4.453 25.964 32.009 1.00 0.00 C ATOM 1039 C PHE A 68 3.438 26.132 30.891 1.00 0.00 C ATOM 1040 O PHE A 68 2.385 25.495 30.883 1.00 0.00 O ATOM 1041 CB PHE A 68 5.807 25.579 31.421 1.00 0.00 C ATOM 1042 CG PHE A 68 5.820 24.179 30.858 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.057 23.872 29.743 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.591 23.199 31.458 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.066 22.585 29.230 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.599 21.912 30.945 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.837 21.606 29.831 1.00 0.00 C ATOM 0 H PHE A 68 4.537 24.076 32.917 1.00 0.00 H new ATOM 0 HA PHE A 68 4.544 26.912 32.539 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.071 26.285 30.634 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.571 25.663 32.194 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.455 24.636 29.274 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.187 23.437 32.327 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.471 22.346 28.361 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.200 21.147 31.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.844 20.603 29.431 1.00 0.00 H new ATOM 1057 N LEU A 69 3.776 26.996 29.943 1.00 0.00 N ATOM 1058 CA LEU A 69 2.917 27.268 28.797 1.00 0.00 C ATOM 1059 C LEU A 69 3.778 27.405 27.550 1.00 0.00 C ATOM 1060 O LEU A 69 3.971 28.507 27.043 1.00 0.00 O ATOM 1061 CB LEU A 69 2.120 28.554 29.025 1.00 0.00 C ATOM 1062 CG LEU A 69 1.660 28.681 30.478 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.045 30.056 30.726 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.663 27.580 30.824 1.00 0.00 C ATOM 0 H LEU A 69 4.648 27.525 29.946 1.00 0.00 H new ATOM 0 HA LEU A 69 2.215 26.444 28.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.734 29.415 28.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.252 28.567 28.366 1.00 0.00 H new ATOM 0 HG LEU A 69 2.531 28.571 31.124 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.723 30.129 31.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.786 30.828 30.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.186 30.194 30.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.348 27.688 31.862 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.206 27.658 30.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.134 26.607 30.687 1.00 0.00 H new ATOM 1076 N THR A 70 4.307 26.269 27.079 1.00 0.00 N ATOM 1077 CA THR A 70 5.183 26.212 25.899 1.00 0.00 C ATOM 1078 C THR A 70 4.854 27.296 24.876 1.00 0.00 C ATOM 1079 O THR A 70 3.689 27.607 24.632 1.00 0.00 O ATOM 1080 CB THR A 70 5.069 24.840 25.244 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.725 24.593 24.871 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.561 23.746 26.187 1.00 0.00 C ATOM 0 H THR A 70 4.139 25.358 27.507 1.00 0.00 H new ATOM 0 HA THR A 70 6.203 26.386 26.242 1.00 0.00 H new ATOM 0 HB THR A 70 5.696 24.830 24.352 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.179 25.380 25.077 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.470 22.776 25.698 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.605 23.928 26.442 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.960 23.752 27.096 1.00 0.00 H new ATOM 1090 N GLU A 71 5.899 27.869 24.289 1.00 0.00 N ATOM 1091 CA GLU A 71 5.747 28.926 23.296 1.00 0.00 C ATOM 1092 C GLU A 71 4.859 28.465 22.146 1.00 0.00 C ATOM 1093 O GLU A 71 4.053 29.237 21.627 1.00 0.00 O ATOM 1094 CB GLU A 71 7.119 29.335 22.765 1.00 0.00 C ATOM 1095 CG GLU A 71 8.039 29.785 23.898 1.00 0.00 C ATOM 1096 CD GLU A 71 8.142 31.304 23.922 1.00 0.00 C ATOM 1097 OE1 GLU A 71 7.102 31.969 24.113 1.00 0.00 O ATOM 1098 OE2 GLU A 71 9.262 31.827 23.748 1.00 0.00 O ATOM 0 H GLU A 71 6.867 27.617 24.486 1.00 0.00 H new ATOM 0 HA GLU A 71 5.272 29.784 23.772 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.572 28.496 22.237 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.006 30.143 22.042 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.655 29.424 24.852 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.029 29.348 23.767 1.00 0.00 H new ATOM 1105 N LYS A 72 5.013 27.208 21.746 1.00 0.00 N ATOM 1106 CA LYS A 72 4.225 26.652 20.651 1.00 0.00 C ATOM 1107 C LYS A 72 3.858 25.201 20.933 1.00 0.00 C ATOM 1108 O LYS A 72 4.118 24.317 20.117 1.00 0.00 O ATOM 1109 CB LYS A 72 5.013 26.744 19.347 1.00 0.00 C ATOM 1110 CG LYS A 72 4.083 26.905 18.147 1.00 0.00 C ATOM 1111 CD LYS A 72 3.641 25.548 17.605 1.00 0.00 C ATOM 1112 CE LYS A 72 3.604 25.546 16.080 1.00 0.00 C ATOM 1113 NZ LYS A 72 4.933 25.191 15.505 1.00 0.00 N ATOM 0 H LYS A 72 5.676 26.554 22.163 1.00 0.00 H new ATOM 0 HA LYS A 72 3.305 27.229 20.559 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.700 27.589 19.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.619 25.847 19.222 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.208 27.486 18.437 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.591 27.465 17.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.324 24.774 17.955 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.653 25.302 17.995 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.854 24.835 15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.301 26.529 15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.875 25.198 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.643 25.884 15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.210 24.242 15.830 1.00 0.00 H new ATOM 1127 N GLY A 73 3.252 24.959 22.091 1.00 0.00 N ATOM 1128 CA GLY A 73 2.850 23.610 22.474 1.00 0.00 C ATOM 1129 C GLY A 73 1.517 23.630 23.210 1.00 0.00 C ATOM 1130 O GLY A 73 0.471 23.885 22.614 1.00 0.00 O ATOM 0 H GLY A 73 3.029 25.678 22.779 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.770 22.984 21.585 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.615 23.165 23.110 1.00 0.00 H new ATOM 1134 N MET A 74 1.566 23.360 24.509 1.00 0.00 N ATOM 1135 CA MET A 74 0.368 23.343 25.341 1.00 0.00 C ATOM 1136 C MET A 74 0.749 23.426 26.814 1.00 0.00 C ATOM 1137 O MET A 74 1.929 23.515 27.154 1.00 0.00 O ATOM 1138 CB MET A 74 -0.425 22.065 25.085 1.00 0.00 C ATOM 1139 CG MET A 74 -1.187 22.139 23.765 1.00 0.00 C ATOM 1140 SD MET A 74 -2.568 20.988 23.703 1.00 0.00 S ATOM 1141 CE MET A 74 -3.877 21.990 24.423 1.00 0.00 C ATOM 0 H MET A 74 2.428 23.149 25.012 1.00 0.00 H new ATOM 0 HA MET A 74 -0.248 24.205 25.086 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.253 21.211 25.069 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.126 21.900 25.903 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.557 23.154 23.619 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.504 21.927 22.942 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.802 21.413 24.454 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.597 22.281 25.435 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.027 22.883 23.817 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.254 23.392 27.684 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.021 23.457 29.123 1.00 0.00 C ATOM 1153 C LYS A 75 0.055 22.052 29.704 1.00 0.00 C ATOM 1154 O LYS A 75 -0.030 21.064 28.974 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.142 24.241 29.802 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.517 25.484 28.999 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.767 25.243 28.160 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.804 26.338 28.387 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.081 26.027 27.685 1.00 0.00 N ATOM 0 H LYS A 75 -1.236 23.320 27.419 1.00 0.00 H new ATOM 0 HA LYS A 75 0.926 23.967 29.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.018 23.602 29.916 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.828 24.534 30.804 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.687 26.320 29.677 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.688 25.764 28.349 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.498 25.207 27.104 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.197 24.274 28.413 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.991 26.449 29.455 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.413 27.291 28.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.767 26.790 27.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.904 25.945 26.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.464 25.129 28.043 1.00 0.00 H new ATOM 1173 N ASN A 76 0.216 21.967 31.020 1.00 0.00 N ATOM 1174 CA ASN A 76 0.304 20.677 31.696 1.00 0.00 C ATOM 1175 C ASN A 76 0.563 20.874 33.183 1.00 0.00 C ATOM 1176 O ASN A 76 1.100 21.899 33.600 1.00 0.00 O ATOM 1177 CB ASN A 76 1.424 19.842 31.082 1.00 0.00 C ATOM 1178 CG ASN A 76 0.998 18.383 30.980 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.179 18.082 30.779 1.00 0.00 O ATOM 1180 ND2 ASN A 76 1.957 17.475 31.118 1.00 0.00 N ATOM 0 H ASN A 76 0.288 22.774 31.639 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.644 20.153 31.571 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.673 20.226 30.093 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.324 19.924 31.691 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.732 16.482 31.059 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.919 17.771 31.283 1.00 0.00 H new ATOM 1187 N VAL A 77 0.180 19.881 33.977 1.00 0.00 N ATOM 1188 CA VAL A 77 0.373 19.937 35.420 1.00 0.00 C ATOM 1189 C VAL A 77 1.422 18.917 35.844 1.00 0.00 C ATOM 1190 O VAL A 77 1.544 17.850 35.241 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.954 19.671 36.133 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.754 19.559 37.643 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.956 20.776 35.813 1.00 0.00 C ATOM 0 H VAL A 77 -0.267 19.026 33.645 1.00 0.00 H new ATOM 0 HA VAL A 77 0.724 20.931 35.697 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.348 18.721 35.773 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.714 19.370 38.124 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.071 18.737 37.860 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.334 20.490 38.024 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.896 20.575 36.327 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.559 21.735 36.146 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.130 20.809 34.737 1.00 0.00 H new ATOM 1203 N PHE A 78 2.179 19.253 36.881 1.00 0.00 N ATOM 1204 CA PHE A 78 3.223 18.367 37.383 1.00 0.00 C ATOM 1205 C PHE A 78 3.184 18.307 38.904 1.00 0.00 C ATOM 1206 O PHE A 78 3.198 19.336 39.578 1.00 0.00 O ATOM 1207 CB PHE A 78 4.589 18.858 36.915 1.00 0.00 C ATOM 1208 CG PHE A 78 4.626 19.157 35.437 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.717 18.120 34.524 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.568 20.468 34.991 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.749 18.393 33.166 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.600 20.740 33.633 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.691 19.702 32.721 1.00 0.00 C ATOM 0 H PHE A 78 2.090 20.132 37.391 1.00 0.00 H new ATOM 0 HA PHE A 78 3.049 17.365 36.991 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.857 19.757 37.470 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.341 18.104 37.148 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.763 17.098 34.870 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.498 21.278 35.702 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.819 17.584 32.454 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.554 21.762 33.286 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.717 19.914 31.662 1.00 0.00 H new ATOM 1223 N ASP A 79 3.138 17.092 39.437 1.00 0.00 N ATOM 1224 CA ASP A 79 3.099 16.888 40.880 1.00 0.00 C ATOM 1225 C ASP A 79 4.321 16.096 41.331 1.00 0.00 C ATOM 1226 O ASP A 79 4.944 15.394 40.535 1.00 0.00 O ATOM 1227 CB ASP A 79 1.820 16.147 41.264 1.00 0.00 C ATOM 1228 CG ASP A 79 1.819 14.747 40.665 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.619 14.494 39.739 1.00 0.00 O ATOM 1230 OD2 ASP A 79 1.018 13.904 41.122 1.00 0.00 O ATOM 0 H ASP A 79 3.127 16.231 38.890 1.00 0.00 H new ATOM 0 HA ASP A 79 3.109 17.858 41.377 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.739 16.085 42.349 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.951 16.701 40.911 1.00 0.00 H new ATOM 1235 N ASP A 80 4.662 16.216 42.609 1.00 0.00 N ATOM 1236 CA ASP A 80 5.815 15.512 43.161 1.00 0.00 C ATOM 1237 C ASP A 80 7.060 15.806 42.334 1.00 0.00 C ATOM 1238 O ASP A 80 7.932 14.951 42.180 1.00 0.00 O ATOM 1239 CB ASP A 80 5.547 14.010 43.185 1.00 0.00 C ATOM 1240 CG ASP A 80 4.524 13.677 44.262 1.00 0.00 C ATOM 1241 OD1 ASP A 80 3.379 14.165 44.166 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.870 12.929 45.201 1.00 0.00 O ATOM 0 H ASP A 80 4.158 16.793 43.282 1.00 0.00 H new ATOM 0 HA ASP A 80 5.982 15.860 44.180 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.181 13.683 42.212 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.475 13.470 43.375 1.00 0.00 H new ATOM 1247 N VAL A 81 7.135 17.022 41.803 1.00 0.00 N ATOM 1248 CA VAL A 81 8.272 17.439 40.987 1.00 0.00 C ATOM 1249 C VAL A 81 9.567 17.395 41.799 1.00 0.00 C ATOM 1250 O VAL A 81 10.660 17.399 41.232 1.00 0.00 O ATOM 1251 CB VAL A 81 8.025 18.849 40.446 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.257 19.388 39.722 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.821 18.852 39.508 1.00 0.00 C ATOM 0 H VAL A 81 6.420 17.739 41.923 1.00 0.00 H new ATOM 0 HA VAL A 81 8.378 16.749 40.150 1.00 0.00 H new ATOM 0 HB VAL A 81 7.818 19.502 41.294 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.050 20.391 39.349 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.099 19.424 40.414 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.503 18.734 38.886 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.656 19.861 39.130 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.009 18.178 38.672 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.936 18.519 40.051 1.00 0.00 H new ATOM 1263 N VAL A 82 9.445 17.352 43.124 1.00 0.00 N ATOM 1264 CA VAL A 82 10.612 17.306 43.998 1.00 0.00 C ATOM 1265 C VAL A 82 10.303 16.498 45.253 1.00 0.00 C ATOM 1266 O VAL A 82 9.211 16.602 45.814 1.00 0.00 O ATOM 1267 CB VAL A 82 11.031 18.724 44.381 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.243 18.695 45.308 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.333 19.547 43.132 1.00 0.00 C ATOM 0 H VAL A 82 8.550 17.348 43.614 1.00 0.00 H new ATOM 0 HA VAL A 82 11.431 16.823 43.464 1.00 0.00 H new ATOM 0 HB VAL A 82 10.204 19.194 44.913 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.526 19.715 45.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.994 18.144 46.215 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.076 18.206 44.803 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.630 20.555 43.423 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.143 19.077 42.574 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.442 19.598 42.506 1.00 0.00 H new ATOM 1279 N PRO A 83 11.265 15.681 45.717 1.00 0.00 N ATOM 1280 CA PRO A 83 11.091 14.852 46.922 1.00 0.00 C ATOM 1281 C PRO A 83 11.039 15.694 48.192 1.00 0.00 C ATOM 1282 O PRO A 83 10.884 16.913 48.133 1.00 0.00 O ATOM 1283 CB PRO A 83 12.317 13.947 46.925 1.00 0.00 C ATOM 1284 CG PRO A 83 13.348 14.691 46.143 1.00 0.00 C ATOM 1285 CD PRO A 83 12.599 15.498 45.116 1.00 0.00 C ATOM 0 HA PRO A 83 10.151 14.301 46.904 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.659 13.749 47.941 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.096 12.982 46.469 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.936 15.339 46.793 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.044 14.003 45.664 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.086 16.454 44.925 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.539 14.975 44.162 1.00 0.00 H new ATOM 1293 N GLU A 84 11.175 15.036 49.339 1.00 0.00 N ATOM 1294 CA GLU A 84 11.148 15.726 50.625 1.00 0.00 C ATOM 1295 C GLU A 84 12.453 16.482 50.839 1.00 0.00 C ATOM 1296 O GLU A 84 12.469 17.713 50.881 1.00 0.00 O ATOM 1297 CB GLU A 84 10.939 14.720 51.754 1.00 0.00 C ATOM 1298 CG GLU A 84 9.539 14.114 51.705 1.00 0.00 C ATOM 1299 CD GLU A 84 9.556 12.806 50.925 1.00 0.00 C ATOM 1300 OE1 GLU A 84 9.853 11.755 51.531 1.00 0.00 O ATOM 1301 OE2 GLU A 84 9.274 12.835 49.708 1.00 0.00 O ATOM 0 H GLU A 84 11.305 14.026 49.405 1.00 0.00 H new ATOM 0 HA GLU A 84 10.322 16.437 50.626 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.683 13.927 51.680 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.091 15.212 52.715 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.176 13.937 52.718 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.848 14.815 51.237 1.00 0.00 H new ATOM 1308 N LYS A 85 13.547 15.738 50.969 1.00 0.00 N ATOM 1309 CA LYS A 85 14.862 16.337 51.173 1.00 0.00 C ATOM 1310 C LYS A 85 15.647 16.340 49.868 1.00 0.00 C ATOM 1311 O LYS A 85 16.606 15.584 49.706 1.00 0.00 O ATOM 1312 CB LYS A 85 15.631 15.562 52.241 1.00 0.00 C ATOM 1313 CG LYS A 85 15.782 14.093 51.860 1.00 0.00 C ATOM 1314 CD LYS A 85 17.246 13.661 51.887 1.00 0.00 C ATOM 1315 CE LYS A 85 17.543 12.790 53.105 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.496 11.696 52.768 1.00 0.00 N ATOM 0 H LYS A 85 13.549 14.719 50.937 1.00 0.00 H new ATOM 0 HA LYS A 85 14.730 17.366 51.507 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.616 16.007 52.378 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.111 15.641 53.196 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.206 13.475 52.549 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.370 13.929 50.864 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.482 13.110 50.977 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.888 14.542 51.902 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.960 13.406 53.902 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.615 12.363 53.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.678 11.121 53.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.086 11.096 52.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.390 12.106 52.429 1.00 0.00 H new ATOM 1330 N TYR A 86 15.233 17.193 48.937 1.00 0.00 N ATOM 1331 CA TYR A 86 15.893 17.297 47.640 1.00 0.00 C ATOM 1332 C TYR A 86 17.373 17.618 47.818 1.00 0.00 C ATOM 1333 O TYR A 86 17.799 18.055 48.887 1.00 0.00 O ATOM 1334 CB TYR A 86 15.222 18.383 46.802 1.00 0.00 C ATOM 1335 CG TYR A 86 15.464 19.773 47.336 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.688 20.389 47.135 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.464 20.436 48.027 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.910 21.666 47.624 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.688 21.713 48.516 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.910 22.321 48.312 1.00 0.00 C ATOM 1341 OH TYR A 86 16.131 23.590 48.797 1.00 0.00 O ATOM 0 H TYR A 86 14.441 17.824 49.057 1.00 0.00 H new ATOM 0 HA TYR A 86 15.804 16.340 47.126 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.591 18.324 45.778 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.149 18.195 46.766 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.470 19.874 46.597 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.509 19.958 48.185 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.864 22.148 47.467 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.909 22.231 49.055 1.00 0.00 H new ATOM 0 HH TYR A 86 15.326 23.910 49.256 1.00 0.00 H new ATOM 1351 N THR A 87 18.153 17.397 46.764 1.00 0.00 N ATOM 1352 CA THR A 87 19.588 17.662 46.802 1.00 0.00 C ATOM 1353 C THR A 87 20.055 18.249 45.476 1.00 0.00 C ATOM 1354 O THR A 87 19.872 17.645 44.419 1.00 0.00 O ATOM 1355 CB THR A 87 20.348 16.371 47.093 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.856 15.776 48.284 1.00 0.00 O ATOM 1357 CG2 THR A 87 21.844 16.643 47.224 1.00 0.00 C ATOM 0 H THR A 87 17.815 17.035 45.872 1.00 0.00 H new ATOM 0 HA THR A 87 19.788 18.383 47.594 1.00 0.00 H new ATOM 0 HB THR A 87 20.194 15.685 46.260 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.348 14.947 48.463 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.367 15.709 47.431 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.219 17.070 46.294 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.016 17.344 48.041 1.00 0.00 H new ATOM 1365 N ILE A 88 20.660 19.431 45.538 1.00 0.00 N ATOM 1366 CA ILE A 88 21.157 20.103 44.341 1.00 0.00 C ATOM 1367 C ILE A 88 22.036 19.159 43.530 1.00 0.00 C ATOM 1368 O ILE A 88 23.083 18.714 43.999 1.00 0.00 O ATOM 1369 CB ILE A 88 21.949 21.347 44.732 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.087 22.288 45.572 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.470 22.067 43.492 1.00 0.00 C ATOM 1372 CD1 ILE A 88 19.773 22.617 44.867 1.00 0.00 C ATOM 0 H ILE A 88 20.818 19.944 46.405 1.00 0.00 H new ATOM 0 HA ILE A 88 20.306 20.401 43.728 1.00 0.00 H new ATOM 0 HB ILE A 88 22.804 21.033 45.331 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.878 21.828 46.538 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.636 23.209 45.769 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.032 22.951 43.794 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.121 21.398 42.929 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.630 22.367 42.866 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.183 23.288 45.491 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.983 23.100 43.913 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.213 21.698 44.693 1.00 0.00 H new ATOM 1384 N GLY A 89 21.601 18.854 42.311 1.00 0.00 N ATOM 1385 CA GLY A 89 22.346 17.960 41.431 1.00 0.00 C ATOM 1386 C GLY A 89 21.575 16.665 41.202 1.00 0.00 C ATOM 1387 O GLY A 89 22.168 15.607 40.991 1.00 0.00 O ATOM 0 H GLY A 89 20.735 19.214 41.910 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.532 18.452 40.476 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.319 17.737 41.869 1.00 0.00 H new ATOM 1391 N ALA A 90 20.250 16.757 41.243 1.00 0.00 N ATOM 1392 CA ALA A 90 19.392 15.595 41.037 1.00 0.00 C ATOM 1393 C ALA A 90 18.219 15.961 40.138 1.00 0.00 C ATOM 1394 O ALA A 90 17.586 17.001 40.320 1.00 0.00 O ATOM 1395 CB ALA A 90 18.878 15.081 42.380 1.00 0.00 C ATOM 0 H ALA A 90 19.746 17.626 41.417 1.00 0.00 H new ATOM 0 HA ALA A 90 19.974 14.810 40.555 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.238 14.214 42.217 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.722 14.796 43.008 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.306 15.866 42.875 1.00 0.00 H new ATOM 1401 N THR A 91 17.937 15.106 39.161 1.00 0.00 N ATOM 1402 CA THR A 91 16.842 15.345 38.226 1.00 0.00 C ATOM 1403 C THR A 91 15.552 14.711 38.727 1.00 0.00 C ATOM 1404 O THR A 91 15.381 13.493 38.668 1.00 0.00 O ATOM 1405 CB THR A 91 17.194 14.778 36.854 1.00 0.00 C ATOM 1406 OG1 THR A 91 18.481 15.227 36.459 1.00 0.00 O ATOM 1407 CG2 THR A 91 16.154 15.189 35.816 1.00 0.00 C ATOM 0 H THR A 91 18.451 14.241 38.995 1.00 0.00 H new ATOM 0 HA THR A 91 16.691 16.422 38.146 1.00 0.00 H new ATOM 0 HB THR A 91 17.200 13.690 36.921 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.700 14.857 35.578 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.425 14.774 34.845 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.175 14.811 36.112 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.118 16.276 35.748 1.00 0.00 H new ATOM 1415 N TYR A 92 14.642 15.548 39.212 1.00 0.00 N ATOM 1416 CA TYR A 92 13.357 15.084 39.717 1.00 0.00 C ATOM 1417 C TYR A 92 12.295 15.236 38.633 1.00 0.00 C ATOM 1418 O TYR A 92 12.617 15.262 37.445 1.00 0.00 O ATOM 1419 CB TYR A 92 12.982 15.891 40.956 1.00 0.00 C ATOM 1420 CG TYR A 92 14.097 15.947 41.970 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.505 14.792 42.613 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.715 17.152 42.257 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.531 14.841 43.542 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.741 17.200 43.186 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.143 16.044 43.824 1.00 0.00 C ATOM 1426 OH TYR A 92 17.162 16.093 44.747 1.00 0.00 O ATOM 0 H TYR A 92 14.773 16.558 39.266 1.00 0.00 H new ATOM 0 HA TYR A 92 13.424 14.031 39.990 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.716 16.905 40.658 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.098 15.452 41.418 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.023 13.851 42.390 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.397 18.055 41.756 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.851 13.940 44.044 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.225 18.139 43.411 1.00 0.00 H new ATOM 0 HH TYR A 92 17.631 15.233 44.762 1.00 0.00 H new ATOM 1436 N ALA A 93 11.029 15.341 39.036 1.00 0.00 N ATOM 1437 CA ALA A 93 9.929 15.496 38.083 1.00 0.00 C ATOM 1438 C ALA A 93 9.646 14.181 37.365 1.00 0.00 C ATOM 1439 O ALA A 93 10.356 13.194 37.559 1.00 0.00 O ATOM 1440 CB ALA A 93 10.267 16.577 37.065 1.00 0.00 C ATOM 0 H ALA A 93 10.739 15.322 40.014 1.00 0.00 H new ATOM 0 HA ALA A 93 9.037 15.789 38.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.442 16.684 36.361 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.430 17.524 37.580 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.171 16.298 36.525 1.00 0.00 H new ATOM 1446 N PRO A 94 8.600 14.152 36.521 1.00 0.00 N ATOM 1447 CA PRO A 94 8.224 12.946 35.769 1.00 0.00 C ATOM 1448 C PRO A 94 9.165 12.686 34.598 1.00 0.00 C ATOM 1449 O PRO A 94 8.721 12.081 33.600 1.00 0.00 O ATOM 1450 CB PRO A 94 6.816 13.244 35.273 1.00 0.00 C ATOM 1451 CG PRO A 94 6.715 14.734 35.223 1.00 0.00 C ATOM 1452 CD PRO A 94 7.701 15.284 36.228 1.00 0.00 C ATOM 0 HA PRO A 94 8.279 12.049 36.387 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.646 12.806 34.289 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.067 12.823 35.943 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.941 15.101 34.222 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.702 15.059 35.461 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.251 16.133 35.821 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.196 15.634 37.129 1.00 0.00 H new TER 1460 PRO A 94