USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 531 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 55 GLN : amide:sc= 0.0116 X(o=0.022,f=0.058) USER MOD Set 1.2: A 59 TYR OH : rot -36:sc= 0.00988 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0119 (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 180:sc= -0.914 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.337 F(o=-3.7,f=-0.34) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 17 MET CE :methyl -141:sc= -1.96 (180deg=-5.65!) USER MOD Single : A 18 SER OG : rot 73:sc= 0.3 USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= -1.04 (180deg=-3.8!) USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 TYR OH : rot 83:sc= 0.523 USER MOD Single : A 26 MET CE :methyl -115:sc= -0.293 (180deg=-0.58) USER MOD Single : A 27 ASN : amide:sc= -0.57 K(o=-0.57,f=-2.4!) USER MOD Single : A 28 MET CE :methyl -138:sc= -0.154 (180deg=-1.26) USER MOD Single : A 31 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.083) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 95:sc= 0.551 USER MOD Single : A 46 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -3.48! C(o=-3.5!,f=-8.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 28:sc= 0.0761 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.471 6.134 -19.946 1.00 0.00 N ATOM 2 CA GLY A 1 -6.429 5.069 -18.961 1.00 0.00 C ATOM 3 C GLY A 1 -7.373 3.931 -19.296 1.00 0.00 C ATOM 4 O GLY A 1 -8.460 4.154 -19.829 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.339 7.050 -19.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.712 5.992 -20.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.392 6.124 -20.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.412 4.684 -18.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.686 5.474 -17.982 1.00 0.00 H new ATOM 8 N SER A 2 -6.957 2.708 -18.985 1.00 0.00 N ATOM 9 CA SER A 2 -7.771 1.530 -19.261 1.00 0.00 C ATOM 10 C SER A 2 -7.827 0.611 -18.045 1.00 0.00 C ATOM 11 O SER A 2 -6.848 0.471 -17.313 1.00 0.00 O ATOM 12 CB SER A 2 -7.213 0.769 -20.465 1.00 0.00 C ATOM 13 OG SER A 2 -8.096 -0.262 -20.872 1.00 0.00 O ATOM 0 H SER A 2 -6.061 2.507 -18.542 1.00 0.00 H new ATOM 0 HA SER A 2 -8.783 1.864 -19.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.050 1.460 -21.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.243 0.342 -20.211 1.00 0.00 H new ATOM 0 HG SER A 2 -7.717 -0.732 -21.644 1.00 0.00 H new ATOM 19 N SER A 3 -8.982 -0.015 -17.836 1.00 0.00 N ATOM 20 CA SER A 3 -9.168 -0.918 -16.707 1.00 0.00 C ATOM 21 C SER A 3 -9.414 -2.345 -17.188 1.00 0.00 C ATOM 22 O SER A 3 -9.760 -2.571 -18.347 1.00 0.00 O ATOM 23 CB SER A 3 -10.340 -0.451 -15.841 1.00 0.00 C ATOM 24 OG SER A 3 -11.570 -0.586 -16.532 1.00 0.00 O ATOM 0 H SER A 3 -9.802 0.087 -18.434 1.00 0.00 H new ATOM 0 HA SER A 3 -8.256 -0.906 -16.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.371 -1.034 -14.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.192 0.590 -15.555 1.00 0.00 H new ATOM 0 HG SER A 3 -12.303 -0.283 -15.957 1.00 0.00 H new ATOM 30 N GLY A 4 -9.231 -3.306 -16.288 1.00 0.00 N ATOM 31 CA GLY A 4 -9.437 -4.699 -16.637 1.00 0.00 C ATOM 32 C GLY A 4 -10.513 -5.356 -15.796 1.00 0.00 C ATOM 33 O GLY A 4 -10.912 -4.823 -14.761 1.00 0.00 O ATOM 0 H GLY A 4 -8.944 -3.144 -15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.710 -4.770 -17.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.501 -5.243 -16.513 1.00 0.00 H new ATOM 37 N SER A 5 -10.985 -6.516 -16.241 1.00 0.00 N ATOM 38 CA SER A 5 -12.026 -7.243 -15.525 1.00 0.00 C ATOM 39 C SER A 5 -11.416 -8.222 -14.526 1.00 0.00 C ATOM 40 O SER A 5 -10.671 -9.126 -14.902 1.00 0.00 O ATOM 41 CB SER A 5 -12.922 -7.996 -16.510 1.00 0.00 C ATOM 42 OG SER A 5 -13.720 -7.098 -17.263 1.00 0.00 O ATOM 0 H SER A 5 -10.663 -6.972 -17.094 1.00 0.00 H new ATOM 0 HA SER A 5 -12.628 -6.519 -14.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.307 -8.593 -17.183 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.564 -8.689 -15.966 1.00 0.00 H new ATOM 0 HG SER A 5 -14.282 -7.604 -17.886 1.00 0.00 H new ATOM 48 N SER A 6 -11.737 -8.032 -13.250 1.00 0.00 N ATOM 49 CA SER A 6 -11.218 -8.895 -12.195 1.00 0.00 C ATOM 50 C SER A 6 -12.355 -9.482 -11.364 1.00 0.00 C ATOM 51 O SER A 6 -13.284 -8.775 -10.975 1.00 0.00 O ATOM 52 CB SER A 6 -10.263 -8.112 -11.291 1.00 0.00 C ATOM 53 OG SER A 6 -10.885 -6.947 -10.778 1.00 0.00 O ATOM 0 H SER A 6 -12.354 -7.289 -12.922 1.00 0.00 H new ATOM 0 HA SER A 6 -10.674 -9.714 -12.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.936 -8.746 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.371 -7.834 -11.853 1.00 0.00 H new ATOM 0 HG SER A 6 -10.254 -6.466 -10.202 1.00 0.00 H new ATOM 59 N GLY A 7 -12.274 -10.782 -11.097 1.00 0.00 N ATOM 60 CA GLY A 7 -13.302 -11.443 -10.315 1.00 0.00 C ATOM 61 C GLY A 7 -12.787 -11.932 -8.976 1.00 0.00 C ATOM 62 O GLY A 7 -12.769 -13.135 -8.711 1.00 0.00 O ATOM 0 H GLY A 7 -11.515 -11.389 -11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.130 -10.753 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.697 -12.288 -10.879 1.00 0.00 H new ATOM 66 N SER A 8 -12.365 -10.999 -8.129 1.00 0.00 N ATOM 67 CA SER A 8 -11.842 -11.342 -6.812 1.00 0.00 C ATOM 68 C SER A 8 -12.509 -10.502 -5.726 1.00 0.00 C ATOM 69 O SER A 8 -12.792 -9.318 -5.908 1.00 0.00 O ATOM 70 CB SER A 8 -10.326 -11.136 -6.772 1.00 0.00 C ATOM 71 OG SER A 8 -9.764 -11.706 -5.603 1.00 0.00 O ATOM 0 H SER A 8 -12.375 -9.999 -8.331 1.00 0.00 H new ATOM 0 HA SER A 8 -12.064 -12.392 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.871 -11.586 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.100 -10.070 -6.805 1.00 0.00 H new ATOM 0 HG SER A 8 -8.795 -11.562 -5.602 1.00 0.00 H new ATOM 77 N PRO A 9 -12.767 -11.129 -4.569 1.00 0.00 N ATOM 78 CA PRO A 9 -13.403 -10.460 -3.431 1.00 0.00 C ATOM 79 C PRO A 9 -12.489 -9.427 -2.780 1.00 0.00 C ATOM 80 O PRO A 9 -11.341 -9.255 -3.191 1.00 0.00 O ATOM 81 CB PRO A 9 -13.689 -11.608 -2.459 1.00 0.00 C ATOM 82 CG PRO A 9 -12.684 -12.653 -2.800 1.00 0.00 C ATOM 83 CD PRO A 9 -12.456 -12.540 -4.283 1.00 0.00 C ATOM 0 HA PRO A 9 -14.292 -9.905 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.587 -11.284 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.706 -11.983 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.756 -12.497 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.048 -13.646 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.429 -12.788 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.104 -13.216 -4.842 1.00 0.00 H new ATOM 91 N ILE A 10 -13.005 -8.743 -1.765 1.00 0.00 N ATOM 92 CA ILE A 10 -12.234 -7.728 -1.058 1.00 0.00 C ATOM 93 C ILE A 10 -12.164 -8.032 0.435 1.00 0.00 C ATOM 94 O ILE A 10 -13.150 -8.450 1.040 1.00 0.00 O ATOM 95 CB ILE A 10 -12.834 -6.324 -1.257 1.00 0.00 C ATOM 96 CG1 ILE A 10 -12.891 -5.977 -2.746 1.00 0.00 C ATOM 97 CG2 ILE A 10 -12.021 -5.288 -0.497 1.00 0.00 C ATOM 98 CD1 ILE A 10 -11.537 -5.978 -3.420 1.00 0.00 C ATOM 0 H ILE A 10 -13.954 -8.873 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.228 -7.747 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.850 -6.320 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.540 -6.691 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.346 -4.993 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.458 -4.301 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.027 -5.529 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.995 -5.290 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.655 -5.724 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.891 -5.243 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.088 -6.968 -3.334 1.00 0.00 H new ATOM 110 N ASN A 11 -10.992 -7.817 1.023 1.00 0.00 N ATOM 111 CA ASN A 11 -10.794 -8.066 2.446 1.00 0.00 C ATOM 112 C ASN A 11 -10.391 -6.786 3.172 1.00 0.00 C ATOM 113 O ASN A 11 -9.242 -6.347 3.116 1.00 0.00 O ATOM 114 CB ASN A 11 -9.725 -9.141 2.653 1.00 0.00 C ATOM 115 CG ASN A 11 -10.159 -10.496 2.128 1.00 0.00 C ATOM 116 OD1 ASN A 11 -11.057 -11.151 2.853 1.00 0.00 O flip ATOM 117 ND2 ASN A 11 -9.691 -10.947 1.082 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.165 -7.471 0.536 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.738 -8.417 2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.806 -8.837 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.496 -9.222 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.002 -10.408 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.992 -11.860 0.740 1.00 0.00 H new ATOM 124 N PRO A 12 -11.357 -6.172 3.870 1.00 0.00 N ATOM 125 CA PRO A 12 -11.127 -4.934 4.621 1.00 0.00 C ATOM 126 C PRO A 12 -10.247 -5.155 5.847 1.00 0.00 C ATOM 127 O PRO A 12 -9.123 -4.658 5.913 1.00 0.00 O ATOM 128 CB PRO A 12 -12.536 -4.509 5.044 1.00 0.00 C ATOM 129 CG PRO A 12 -13.322 -5.774 5.069 1.00 0.00 C ATOM 130 CD PRO A 12 -12.750 -6.639 3.980 1.00 0.00 C ATOM 0 HA PRO A 12 -10.602 -4.187 4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.528 -4.029 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.961 -3.793 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.242 -6.264 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.381 -5.579 4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.800 -7.697 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.291 -6.514 3.042 1.00 0.00 H new ATOM 138 N TYR A 13 -10.765 -5.904 6.814 1.00 0.00 N ATOM 139 CA TYR A 13 -10.027 -6.189 8.038 1.00 0.00 C ATOM 140 C TYR A 13 -9.777 -7.686 8.188 1.00 0.00 C ATOM 141 O TYR A 13 -9.295 -8.148 9.223 1.00 0.00 O ATOM 142 CB TYR A 13 -10.793 -5.664 9.254 1.00 0.00 C ATOM 143 CG TYR A 13 -12.282 -5.917 9.188 1.00 0.00 C ATOM 144 CD1 TYR A 13 -12.779 -7.146 8.771 1.00 0.00 C ATOM 145 CD2 TYR A 13 -13.191 -4.928 9.540 1.00 0.00 C ATOM 146 CE1 TYR A 13 -14.139 -7.382 8.708 1.00 0.00 C ATOM 147 CE2 TYR A 13 -14.552 -5.156 9.482 1.00 0.00 C ATOM 148 CZ TYR A 13 -15.021 -6.384 9.065 1.00 0.00 C ATOM 149 OH TYR A 13 -16.377 -6.614 9.004 1.00 0.00 O ATOM 0 H TYR A 13 -11.693 -6.325 6.774 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.064 -5.683 7.977 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.393 -6.131 10.154 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.619 -4.592 9.347 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.091 -7.930 8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.828 -3.964 9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.509 -8.343 8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.245 -4.377 9.762 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.858 -5.810 9.290 1.00 0.00 H new ATOM 159 N LYS A 14 -10.108 -8.441 7.146 1.00 0.00 N ATOM 160 CA LYS A 14 -9.919 -9.887 7.158 1.00 0.00 C ATOM 161 C LYS A 14 -8.485 -10.246 7.535 1.00 0.00 C ATOM 162 O LYS A 14 -7.542 -9.550 7.159 1.00 0.00 O ATOM 163 CB LYS A 14 -10.260 -10.478 5.787 1.00 0.00 C ATOM 164 CG LYS A 14 -10.856 -11.873 5.857 1.00 0.00 C ATOM 165 CD LYS A 14 -12.313 -11.836 6.287 1.00 0.00 C ATOM 166 CE LYS A 14 -13.237 -11.590 5.104 1.00 0.00 C ATOM 167 NZ LYS A 14 -14.671 -11.652 5.499 1.00 0.00 N ATOM 0 H LYS A 14 -10.509 -8.075 6.282 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.589 -10.309 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.963 -9.817 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.356 -10.508 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.776 -12.353 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.284 -12.479 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.576 -12.779 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.454 -11.051 7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.021 -10.613 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.041 -12.332 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.268 -11.479 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.883 -12.593 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.864 -10.927 6.220 1.00 0.00 H new ATOM 181 N ASP A 15 -8.329 -11.335 8.279 1.00 0.00 N ATOM 182 CA ASP A 15 -7.010 -11.787 8.706 1.00 0.00 C ATOM 183 C ASP A 15 -6.111 -12.051 7.502 1.00 0.00 C ATOM 184 O ASP A 15 -4.968 -11.595 7.456 1.00 0.00 O ATOM 185 CB ASP A 15 -7.131 -13.053 9.555 1.00 0.00 C ATOM 186 CG ASP A 15 -7.970 -12.837 10.799 1.00 0.00 C ATOM 187 OD1 ASP A 15 -7.501 -12.131 11.716 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.095 -13.376 10.857 1.00 0.00 O ATOM 0 H ASP A 15 -9.100 -11.921 8.599 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.559 -10.998 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.574 -13.848 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.136 -13.389 9.845 1.00 0.00 H new ATOM 193 N HIS A 16 -6.634 -12.791 6.530 1.00 0.00 N ATOM 194 CA HIS A 16 -5.879 -13.117 5.325 1.00 0.00 C ATOM 195 C HIS A 16 -5.021 -11.934 4.886 1.00 0.00 C ATOM 196 O HIS A 16 -3.855 -12.099 4.528 1.00 0.00 O ATOM 197 CB HIS A 16 -6.827 -13.521 4.197 1.00 0.00 C ATOM 198 CG HIS A 16 -7.110 -14.991 4.150 1.00 0.00 C ATOM 199 ND1 HIS A 16 -8.229 -15.561 4.720 1.00 0.00 N ATOM 200 CD2 HIS A 16 -6.413 -16.010 3.595 1.00 0.00 C ATOM 201 CE1 HIS A 16 -8.207 -16.866 4.520 1.00 0.00 C ATOM 202 NE2 HIS A 16 -7.115 -17.165 3.839 1.00 0.00 N ATOM 0 H HIS A 16 -7.578 -13.177 6.553 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.221 -13.956 5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.767 -12.982 4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.398 -13.211 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.478 -15.930 3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.955 -17.569 4.856 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -6.838 -18.101 3.543 1.00 0.00 H new ATOM 211 N MET A 17 -5.607 -10.741 4.915 1.00 0.00 N ATOM 212 CA MET A 17 -4.896 -9.531 4.520 1.00 0.00 C ATOM 213 C MET A 17 -4.039 -9.005 5.667 1.00 0.00 C ATOM 214 O MET A 17 -2.843 -8.765 5.502 1.00 0.00 O ATOM 215 CB MET A 17 -5.886 -8.454 4.072 1.00 0.00 C ATOM 216 CG MET A 17 -6.219 -8.513 2.590 1.00 0.00 C ATOM 217 SD MET A 17 -6.572 -10.187 2.023 1.00 0.00 S ATOM 218 CE MET A 17 -5.016 -10.619 1.249 1.00 0.00 C ATOM 0 H MET A 17 -6.572 -10.587 5.208 1.00 0.00 H new ATOM 0 HA MET A 17 -4.241 -9.781 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.806 -8.556 4.647 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.472 -7.473 4.304 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.081 -7.877 2.390 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.384 -8.108 2.018 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.208 -11.189 0.340 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.469 -9.710 0.999 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.422 -11.221 1.937 1.00 0.00 H new ATOM 228 N SER A 18 -4.659 -8.826 6.829 1.00 0.00 N ATOM 229 CA SER A 18 -3.954 -8.324 8.003 1.00 0.00 C ATOM 230 C SER A 18 -2.567 -8.951 8.112 1.00 0.00 C ATOM 231 O SER A 18 -1.553 -8.256 8.051 1.00 0.00 O ATOM 232 CB SER A 18 -4.759 -8.615 9.271 1.00 0.00 C ATOM 233 OG SER A 18 -6.000 -7.932 9.255 1.00 0.00 O ATOM 0 H SER A 18 -5.648 -9.021 6.983 1.00 0.00 H new ATOM 0 HA SER A 18 -3.839 -7.246 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.932 -9.688 9.358 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.185 -8.313 10.147 1.00 0.00 H new ATOM 0 HG SER A 18 -6.600 -8.359 8.608 1.00 0.00 H new ATOM 239 N VAL A 19 -2.531 -10.269 8.276 1.00 0.00 N ATOM 240 CA VAL A 19 -1.270 -10.991 8.393 1.00 0.00 C ATOM 241 C VAL A 19 -0.234 -10.450 7.414 1.00 0.00 C ATOM 242 O VAL A 19 0.910 -10.188 7.787 1.00 0.00 O ATOM 243 CB VAL A 19 -1.461 -12.499 8.140 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.273 -12.730 6.875 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.113 -13.199 8.054 1.00 0.00 C ATOM 0 H VAL A 19 -3.361 -10.859 8.331 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.914 -10.843 9.413 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.012 -12.924 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.397 -13.801 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.252 -12.263 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.752 -12.292 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.266 -14.263 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.467 -12.773 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.428 -13.063 8.990 1.00 0.00 H new ATOM 255 N LEU A 20 -0.642 -10.285 6.161 1.00 0.00 N ATOM 256 CA LEU A 20 0.251 -9.774 5.127 1.00 0.00 C ATOM 257 C LEU A 20 0.832 -8.422 5.529 1.00 0.00 C ATOM 258 O LEU A 20 1.996 -8.129 5.256 1.00 0.00 O ATOM 259 CB LEU A 20 -0.496 -9.646 3.798 1.00 0.00 C ATOM 260 CG LEU A 20 -1.158 -10.921 3.274 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.855 -10.655 1.950 1.00 0.00 C ATOM 262 CD2 LEU A 20 -0.129 -12.033 3.124 1.00 0.00 C ATOM 0 H LEU A 20 -1.585 -10.498 5.836 1.00 0.00 H new ATOM 0 HA LEU A 20 1.072 -10.481 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.264 -8.881 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.204 -9.288 3.044 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.908 -11.242 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.320 -11.574 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.620 -9.891 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.125 -10.309 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.618 -12.933 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.644 -11.721 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.324 -12.242 4.093 1.00 0.00 H new ATOM 274 N LYS A 21 0.015 -7.603 6.181 1.00 0.00 N ATOM 275 CA LYS A 21 0.447 -6.283 6.625 1.00 0.00 C ATOM 276 C LYS A 21 1.471 -6.396 7.750 1.00 0.00 C ATOM 277 O LYS A 21 2.284 -5.494 7.955 1.00 0.00 O ATOM 278 CB LYS A 21 -0.755 -5.461 7.095 1.00 0.00 C ATOM 279 CG LYS A 21 -1.478 -4.741 5.970 1.00 0.00 C ATOM 280 CD LYS A 21 -2.599 -5.590 5.394 1.00 0.00 C ATOM 281 CE LYS A 21 -3.069 -5.056 4.050 1.00 0.00 C ATOM 282 NZ LYS A 21 -3.683 -6.123 3.213 1.00 0.00 N ATOM 0 H LYS A 21 -0.952 -7.830 6.414 1.00 0.00 H new ATOM 0 HA LYS A 21 0.916 -5.778 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.458 -6.120 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.418 -4.727 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.886 -3.801 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.768 -4.491 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.255 -6.618 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.436 -5.610 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.794 -4.258 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.225 -4.618 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.321 -6.052 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.441 -7.055 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.717 -6.008 3.207 1.00 0.00 H new ATOM 296 N ALA A 22 1.427 -7.508 8.475 1.00 0.00 N ATOM 297 CA ALA A 22 2.353 -7.740 9.577 1.00 0.00 C ATOM 298 C ALA A 22 3.748 -8.075 9.060 1.00 0.00 C ATOM 299 O ALA A 22 4.750 -7.625 9.615 1.00 0.00 O ATOM 300 CB ALA A 22 1.838 -8.856 10.473 1.00 0.00 C ATOM 0 H ALA A 22 0.760 -8.263 8.319 1.00 0.00 H new ATOM 0 HA ALA A 22 2.421 -6.822 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.539 -9.018 11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.865 -8.577 10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.740 -9.773 9.892 1.00 0.00 H new ATOM 306 N TYR A 23 3.805 -8.867 7.995 1.00 0.00 N ATOM 307 CA TYR A 23 5.078 -9.264 7.406 1.00 0.00 C ATOM 308 C TYR A 23 5.784 -8.067 6.777 1.00 0.00 C ATOM 309 O TYR A 23 6.991 -7.886 6.943 1.00 0.00 O ATOM 310 CB TYR A 23 4.859 -10.352 6.353 1.00 0.00 C ATOM 311 CG TYR A 23 4.545 -11.709 6.941 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.431 -12.333 7.811 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.363 -12.369 6.626 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.149 -13.573 8.350 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.072 -13.608 7.161 1.00 0.00 C ATOM 316 CZ TYR A 23 3.968 -14.207 8.023 1.00 0.00 C ATOM 317 OH TYR A 23 3.683 -15.442 8.557 1.00 0.00 O ATOM 0 H TYR A 23 2.985 -9.246 7.522 1.00 0.00 H new ATOM 0 HA TYR A 23 5.710 -9.659 8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.042 -10.052 5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.752 -10.432 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.356 -11.840 8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.660 -11.904 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.849 -14.044 9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.148 -14.106 6.906 1.00 0.00 H new ATOM 0 HH TYR A 23 2.733 -15.643 8.427 1.00 0.00 H new ATOM 327 N TYR A 24 5.024 -7.252 6.055 1.00 0.00 N ATOM 328 CA TYR A 24 5.575 -6.073 5.399 1.00 0.00 C ATOM 329 C TYR A 24 6.024 -5.038 6.426 1.00 0.00 C ATOM 330 O TYR A 24 7.137 -4.519 6.356 1.00 0.00 O ATOM 331 CB TYR A 24 4.540 -5.457 4.456 1.00 0.00 C ATOM 332 CG TYR A 24 5.131 -4.479 3.465 1.00 0.00 C ATOM 333 CD1 TYR A 24 5.825 -3.356 3.897 1.00 0.00 C ATOM 334 CD2 TYR A 24 4.993 -4.678 2.096 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.365 -2.459 2.995 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.531 -3.787 1.188 1.00 0.00 C ATOM 337 CZ TYR A 24 6.216 -2.680 1.642 1.00 0.00 C ATOM 338 OH TYR A 24 6.752 -1.790 0.740 1.00 0.00 O ATOM 0 H TYR A 24 4.023 -7.386 5.909 1.00 0.00 H new ATOM 0 HA TYR A 24 6.444 -6.384 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.037 -6.255 3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.780 -4.947 5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.945 -3.181 4.956 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.456 -5.544 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.901 -1.590 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.416 -3.957 0.128 1.00 0.00 H new ATOM 0 HH TYR A 24 7.700 -1.995 0.602 1.00 0.00 H new ATOM 348 N ALA A 25 5.147 -4.743 7.380 1.00 0.00 N ATOM 349 CA ALA A 25 5.452 -3.772 8.424 1.00 0.00 C ATOM 350 C ALA A 25 6.855 -3.988 8.981 1.00 0.00 C ATOM 351 O ALA A 25 7.646 -3.050 9.076 1.00 0.00 O ATOM 352 CB ALA A 25 4.421 -3.856 9.540 1.00 0.00 C ATOM 0 H ALA A 25 4.220 -5.162 7.452 1.00 0.00 H new ATOM 0 HA ALA A 25 5.414 -2.776 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.661 -3.126 10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.430 -3.646 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.432 -4.857 9.971 1.00 0.00 H new ATOM 358 N MET A 26 7.157 -5.229 9.349 1.00 0.00 N ATOM 359 CA MET A 26 8.465 -5.567 9.896 1.00 0.00 C ATOM 360 C MET A 26 9.534 -5.537 8.808 1.00 0.00 C ATOM 361 O MET A 26 10.630 -5.018 9.016 1.00 0.00 O ATOM 362 CB MET A 26 8.427 -6.949 10.552 1.00 0.00 C ATOM 363 CG MET A 26 7.380 -7.073 11.647 1.00 0.00 C ATOM 364 SD MET A 26 7.398 -8.689 12.445 1.00 0.00 S ATOM 365 CE MET A 26 6.748 -9.721 11.134 1.00 0.00 C ATOM 0 H MET A 26 6.513 -6.017 9.278 1.00 0.00 H new ATOM 0 HA MET A 26 8.718 -4.822 10.650 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.231 -7.700 9.787 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.408 -7.170 10.972 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.550 -6.300 12.396 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.392 -6.893 11.222 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.786 -10.133 11.439 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.617 -9.124 10.232 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.444 -10.535 10.933 1.00 0.00 H new ATOM 375 N ASN A 27 9.207 -6.097 7.648 1.00 0.00 N ATOM 376 CA ASN A 27 10.140 -6.135 6.528 1.00 0.00 C ATOM 377 C ASN A 27 9.518 -5.515 5.281 1.00 0.00 C ATOM 378 O ASN A 27 8.617 -6.092 4.671 1.00 0.00 O ATOM 379 CB ASN A 27 10.562 -7.577 6.238 1.00 0.00 C ATOM 380 CG ASN A 27 11.847 -7.652 5.435 1.00 0.00 C ATOM 381 OD1 ASN A 27 12.246 -6.684 4.789 1.00 0.00 O ATOM 382 ND2 ASN A 27 12.501 -8.808 5.473 1.00 0.00 N ATOM 0 H ASN A 27 8.303 -6.531 7.459 1.00 0.00 H new ATOM 0 HA ASN A 27 11.021 -5.553 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.693 -8.111 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.766 -8.083 5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.371 -8.919 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.133 -9.584 6.022 1.00 0.00 H new ATOM 389 N MET A 28 10.005 -4.336 4.907 1.00 0.00 N ATOM 390 CA MET A 28 9.497 -3.638 3.731 1.00 0.00 C ATOM 391 C MET A 28 9.424 -4.577 2.531 1.00 0.00 C ATOM 392 O MET A 28 8.350 -4.801 1.973 1.00 0.00 O ATOM 393 CB MET A 28 10.387 -2.438 3.401 1.00 0.00 C ATOM 394 CG MET A 28 10.531 -1.454 4.550 1.00 0.00 C ATOM 395 SD MET A 28 9.208 -0.230 4.587 1.00 0.00 S ATOM 396 CE MET A 28 8.059 -1.008 5.720 1.00 0.00 C ATOM 0 H MET A 28 10.750 -3.844 5.401 1.00 0.00 H new ATOM 0 HA MET A 28 8.490 -3.285 3.955 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.376 -2.797 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.975 -1.917 2.537 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.541 -2.001 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.491 -0.944 4.468 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.042 -0.890 5.345 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.294 -2.069 5.805 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.141 -0.539 6.700 1.00 0.00 H new ATOM 406 N GLU A 29 10.571 -5.123 2.141 1.00 0.00 N ATOM 407 CA GLU A 29 10.635 -6.036 1.006 1.00 0.00 C ATOM 408 C GLU A 29 11.265 -7.366 1.413 1.00 0.00 C ATOM 409 O GLU A 29 12.482 -7.489 1.547 1.00 0.00 O ATOM 410 CB GLU A 29 11.435 -5.409 -0.138 1.00 0.00 C ATOM 411 CG GLU A 29 10.741 -4.223 -0.787 1.00 0.00 C ATOM 412 CD GLU A 29 10.731 -2.995 0.103 1.00 0.00 C ATOM 413 OE1 GLU A 29 11.818 -2.586 0.561 1.00 0.00 O ATOM 414 OE2 GLU A 29 9.636 -2.444 0.340 1.00 0.00 O ATOM 0 H GLU A 29 11.468 -4.949 2.594 1.00 0.00 H new ATOM 0 HA GLU A 29 9.617 -6.224 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.405 -5.089 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.624 -6.168 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.241 -3.983 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.715 -4.497 -1.033 1.00 0.00 H new ATOM 421 N PRO A 30 10.416 -8.385 1.614 1.00 0.00 N ATOM 422 CA PRO A 30 10.866 -9.723 2.008 1.00 0.00 C ATOM 423 C PRO A 30 11.612 -10.438 0.887 1.00 0.00 C ATOM 424 O PRO A 30 11.459 -10.100 -0.286 1.00 0.00 O ATOM 425 CB PRO A 30 9.561 -10.454 2.333 1.00 0.00 C ATOM 426 CG PRO A 30 8.521 -9.748 1.533 1.00 0.00 C ATOM 427 CD PRO A 30 8.952 -8.309 1.472 1.00 0.00 C ATOM 0 HA PRO A 30 11.570 -9.688 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.620 -11.508 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.338 -10.410 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.442 -10.174 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.540 -9.842 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.663 -7.843 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.501 -7.720 2.271 1.00 0.00 H new ATOM 435 N ASN A 31 12.419 -11.427 1.256 1.00 0.00 N ATOM 436 CA ASN A 31 13.189 -12.189 0.280 1.00 0.00 C ATOM 437 C ASN A 31 12.401 -13.401 -0.209 1.00 0.00 C ATOM 438 O ASN A 31 11.282 -13.649 0.242 1.00 0.00 O ATOM 439 CB ASN A 31 14.517 -12.643 0.889 1.00 0.00 C ATOM 440 CG ASN A 31 14.963 -11.752 2.032 1.00 0.00 C ATOM 441 OD1 ASN A 31 15.460 -10.647 1.815 1.00 0.00 O ATOM 442 ND2 ASN A 31 14.788 -12.230 3.259 1.00 0.00 N ATOM 0 H ASN A 31 12.557 -11.720 2.223 1.00 0.00 H new ATOM 0 HA ASN A 31 13.390 -11.540 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.418 -13.667 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.285 -12.649 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.070 -11.675 4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.372 -13.152 3.393 1.00 0.00 H new ATOM 449 N SER A 32 12.992 -14.151 -1.133 1.00 0.00 N ATOM 450 CA SER A 32 12.344 -15.335 -1.685 1.00 0.00 C ATOM 451 C SER A 32 11.995 -16.328 -0.581 1.00 0.00 C ATOM 452 O SER A 32 11.076 -17.136 -0.725 1.00 0.00 O ATOM 453 CB SER A 32 13.252 -16.003 -2.720 1.00 0.00 C ATOM 454 OG SER A 32 13.670 -15.076 -3.706 1.00 0.00 O ATOM 0 H SER A 32 13.918 -13.960 -1.515 1.00 0.00 H new ATOM 0 HA SER A 32 11.421 -15.020 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.124 -16.428 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.722 -16.829 -3.194 1.00 0.00 H new ATOM 0 HG SER A 32 14.250 -15.527 -4.354 1.00 0.00 H new ATOM 460 N ASP A 33 12.734 -16.263 0.520 1.00 0.00 N ATOM 461 CA ASP A 33 12.503 -17.155 1.651 1.00 0.00 C ATOM 462 C ASP A 33 11.273 -16.722 2.442 1.00 0.00 C ATOM 463 O ASP A 33 10.426 -17.544 2.788 1.00 0.00 O ATOM 464 CB ASP A 33 13.729 -17.183 2.564 1.00 0.00 C ATOM 465 CG ASP A 33 14.845 -18.048 2.010 1.00 0.00 C ATOM 466 OD1 ASP A 33 14.542 -18.991 1.250 1.00 0.00 O ATOM 467 OD2 ASP A 33 16.020 -17.781 2.336 1.00 0.00 O ATOM 0 H ASP A 33 13.499 -15.602 0.654 1.00 0.00 H new ATOM 0 HA ASP A 33 12.327 -18.158 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.097 -16.167 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.438 -17.555 3.546 1.00 0.00 H new ATOM 472 N GLU A 34 11.184 -15.426 2.726 1.00 0.00 N ATOM 473 CA GLU A 34 10.059 -14.885 3.479 1.00 0.00 C ATOM 474 C GLU A 34 8.773 -14.956 2.661 1.00 0.00 C ATOM 475 O GLU A 34 7.759 -15.483 3.120 1.00 0.00 O ATOM 476 CB GLU A 34 10.338 -13.437 3.887 1.00 0.00 C ATOM 477 CG GLU A 34 11.389 -13.303 4.976 1.00 0.00 C ATOM 478 CD GLU A 34 11.698 -11.858 5.314 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.750 -11.049 5.385 1.00 0.00 O ATOM 480 OE2 GLU A 34 12.889 -11.536 5.507 1.00 0.00 O ATOM 0 H GLU A 34 11.877 -14.732 2.446 1.00 0.00 H new ATOM 0 HA GLU A 34 9.932 -15.489 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.663 -12.877 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.410 -12.980 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.044 -13.816 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.304 -13.801 4.656 1.00 0.00 H new ATOM 487 N LEU A 35 8.821 -14.421 1.446 1.00 0.00 N ATOM 488 CA LEU A 35 7.661 -14.422 0.562 1.00 0.00 C ATOM 489 C LEU A 35 6.899 -15.739 0.665 1.00 0.00 C ATOM 490 O LEU A 35 5.689 -15.753 0.892 1.00 0.00 O ATOM 491 CB LEU A 35 8.097 -14.183 -0.885 1.00 0.00 C ATOM 492 CG LEU A 35 8.212 -12.721 -1.319 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.762 -12.626 -2.733 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.861 -12.028 -1.222 1.00 0.00 C ATOM 0 H LEU A 35 9.652 -13.981 1.050 1.00 0.00 H new ATOM 0 HA LEU A 35 6.998 -13.615 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.064 -14.663 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.387 -14.682 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 35 8.906 -12.216 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.837 -11.578 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.750 -13.085 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.094 -13.147 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.962 -10.989 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.145 -12.534 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.507 -12.064 -0.192 1.00 0.00 H new ATOM 506 N LEU A 36 7.616 -16.845 0.499 1.00 0.00 N ATOM 507 CA LEU A 36 7.008 -18.169 0.575 1.00 0.00 C ATOM 508 C LEU A 36 6.201 -18.325 1.861 1.00 0.00 C ATOM 509 O LEU A 36 4.980 -18.481 1.825 1.00 0.00 O ATOM 510 CB LEU A 36 8.086 -19.252 0.503 1.00 0.00 C ATOM 511 CG LEU A 36 7.587 -20.697 0.496 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.464 -20.870 -0.515 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.730 -21.655 0.195 1.00 0.00 C ATOM 0 H LEU A 36 8.619 -16.851 0.311 1.00 0.00 H new ATOM 0 HA LEU A 36 6.332 -18.280 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.677 -19.089 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.758 -19.125 1.352 1.00 0.00 H new ATOM 0 HG LEU A 36 7.195 -20.930 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.122 -21.905 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.635 -20.212 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.829 -20.618 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.356 -22.679 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.152 -21.422 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.502 -21.551 0.958 1.00 0.00 H new ATOM 525 N LYS A 37 6.891 -18.279 2.995 1.00 0.00 N ATOM 526 CA LYS A 37 6.240 -18.411 4.293 1.00 0.00 C ATOM 527 C LYS A 37 5.013 -17.509 4.380 1.00 0.00 C ATOM 528 O LYS A 37 3.957 -17.926 4.857 1.00 0.00 O ATOM 529 CB LYS A 37 7.221 -18.067 5.416 1.00 0.00 C ATOM 530 CG LYS A 37 7.920 -19.279 6.007 1.00 0.00 C ATOM 531 CD LYS A 37 7.183 -19.809 7.225 1.00 0.00 C ATOM 532 CE LYS A 37 6.163 -20.871 6.842 1.00 0.00 C ATOM 533 NZ LYS A 37 5.312 -21.265 7.998 1.00 0.00 N ATOM 0 H LYS A 37 7.902 -18.151 3.042 1.00 0.00 H new ATOM 0 HA LYS A 37 5.917 -19.446 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.972 -17.377 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.684 -17.546 6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.990 -20.063 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.940 -19.012 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.900 -20.229 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.680 -18.987 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.531 -20.494 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.681 -21.749 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.630 -21.990 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.912 -21.648 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.798 -20.432 8.351 1.00 0.00 H new ATOM 547 N ILE A 38 5.159 -16.273 3.916 1.00 0.00 N ATOM 548 CA ILE A 38 4.062 -15.313 3.940 1.00 0.00 C ATOM 549 C ILE A 38 2.809 -15.895 3.294 1.00 0.00 C ATOM 550 O ILE A 38 1.716 -15.814 3.853 1.00 0.00 O ATOM 551 CB ILE A 38 4.440 -14.007 3.217 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.638 -13.347 3.902 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.252 -13.057 3.183 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.363 -12.351 3.025 1.00 0.00 C ATOM 0 H ILE A 38 6.026 -15.912 3.519 1.00 0.00 H new ATOM 0 HA ILE A 38 3.859 -15.092 4.988 1.00 0.00 H new ATOM 0 HB ILE A 38 4.719 -14.245 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.297 -12.842 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.339 -14.121 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.535 -12.139 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.424 -13.529 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.945 -12.822 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.200 -11.923 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.735 -12.855 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.677 -11.556 2.733 1.00 0.00 H new ATOM 566 N SER A 39 2.977 -16.483 2.114 1.00 0.00 N ATOM 567 CA SER A 39 1.860 -17.077 1.390 1.00 0.00 C ATOM 568 C SER A 39 1.480 -18.428 1.990 1.00 0.00 C ATOM 569 O SER A 39 0.360 -18.907 1.810 1.00 0.00 O ATOM 570 CB SER A 39 2.214 -17.245 -0.089 1.00 0.00 C ATOM 571 OG SER A 39 2.806 -18.510 -0.331 1.00 0.00 O ATOM 0 H SER A 39 3.876 -16.561 1.639 1.00 0.00 H new ATOM 0 HA SER A 39 1.005 -16.406 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.315 -17.139 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.900 -16.455 -0.394 1.00 0.00 H new ATOM 0 HG SER A 39 2.116 -19.144 -0.618 1.00 0.00 H new ATOM 577 N ILE A 40 2.421 -19.036 2.704 1.00 0.00 N ATOM 578 CA ILE A 40 2.186 -20.331 3.332 1.00 0.00 C ATOM 579 C ILE A 40 1.289 -20.193 4.557 1.00 0.00 C ATOM 580 O ILE A 40 0.238 -20.828 4.644 1.00 0.00 O ATOM 581 CB ILE A 40 3.508 -21.001 3.751 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.228 -21.568 2.526 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.245 -22.098 4.772 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.604 -22.117 2.834 1.00 0.00 C ATOM 0 H ILE A 40 3.353 -18.653 2.862 1.00 0.00 H new ATOM 0 HA ILE A 40 1.690 -20.956 2.590 1.00 0.00 H new ATOM 0 HB ILE A 40 4.150 -20.249 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.619 -22.360 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.318 -20.785 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.189 -22.562 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.770 -21.668 5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.588 -22.851 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.055 -22.502 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.230 -21.323 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.519 -22.922 3.564 1.00 0.00 H new ATOM 596 N ALA A 41 1.709 -19.357 5.500 1.00 0.00 N ATOM 597 CA ALA A 41 0.941 -19.132 6.719 1.00 0.00 C ATOM 598 C ALA A 41 -0.534 -18.910 6.405 1.00 0.00 C ATOM 599 O ALA A 41 -1.411 -19.443 7.084 1.00 0.00 O ATOM 600 CB ALA A 41 1.505 -17.945 7.486 1.00 0.00 C ATOM 0 H ALA A 41 2.577 -18.824 5.444 1.00 0.00 H new ATOM 0 HA ALA A 41 1.022 -20.024 7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.922 -17.788 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.543 -18.143 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.454 -17.052 6.863 1.00 0.00 H new ATOM 606 N VAL A 42 -0.802 -18.117 5.372 1.00 0.00 N ATOM 607 CA VAL A 42 -2.172 -17.824 4.968 1.00 0.00 C ATOM 608 C VAL A 42 -2.728 -18.926 4.073 1.00 0.00 C ATOM 609 O VAL A 42 -3.929 -19.192 4.072 1.00 0.00 O ATOM 610 CB VAL A 42 -2.262 -16.479 4.223 1.00 0.00 C ATOM 611 CG1 VAL A 42 -2.098 -15.319 5.194 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.219 -16.411 3.118 1.00 0.00 C ATOM 0 H VAL A 42 -0.088 -17.666 4.800 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.766 -17.766 5.880 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.248 -16.402 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.164 -14.377 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.886 -15.360 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.126 -15.388 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.297 -15.454 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.223 -16.510 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.388 -17.221 2.408 1.00 0.00 H new ATOM 622 N GLY A 43 -1.845 -19.565 3.311 1.00 0.00 N ATOM 623 CA GLY A 43 -2.267 -20.632 2.422 1.00 0.00 C ATOM 624 C GLY A 43 -2.379 -20.175 0.981 1.00 0.00 C ATOM 625 O GLY A 43 -2.734 -20.958 0.099 1.00 0.00 O ATOM 0 H GLY A 43 -0.845 -19.363 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.556 -21.456 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.231 -21.017 2.754 1.00 0.00 H new ATOM 629 N LEU A 44 -2.079 -18.903 0.740 1.00 0.00 N ATOM 630 CA LEU A 44 -2.149 -18.342 -0.604 1.00 0.00 C ATOM 631 C LEU A 44 -0.911 -18.711 -1.414 1.00 0.00 C ATOM 632 O LEU A 44 0.149 -19.018 -0.869 1.00 0.00 O ATOM 633 CB LEU A 44 -2.293 -16.821 -0.536 1.00 0.00 C ATOM 634 CG LEU A 44 -3.693 -16.292 -0.223 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.626 -14.848 0.250 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.594 -16.414 -1.444 1.00 0.00 C ATOM 0 H LEU A 44 -1.785 -18.241 1.458 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.024 -18.762 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.606 -16.445 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.974 -16.403 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.117 -16.895 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.632 -14.489 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.016 -14.788 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.181 -14.230 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.586 -16.033 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.173 -15.836 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.669 -17.461 -1.738 1.00 0.00 H new ATOM 648 N PRO A 45 -1.045 -18.680 -2.749 1.00 0.00 N ATOM 649 CA PRO A 45 0.053 -19.007 -3.663 1.00 0.00 C ATOM 650 C PRO A 45 1.151 -17.948 -3.651 1.00 0.00 C ATOM 651 O PRO A 45 0.913 -16.791 -3.996 1.00 0.00 O ATOM 652 CB PRO A 45 -0.628 -19.055 -5.033 1.00 0.00 C ATOM 653 CG PRO A 45 -1.824 -18.177 -4.893 1.00 0.00 C ATOM 654 CD PRO A 45 -2.280 -18.324 -3.468 1.00 0.00 C ATOM 0 HA PRO A 45 0.551 -19.937 -3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.037 -18.696 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.913 -20.073 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.575 -17.140 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.610 -18.474 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.714 -17.399 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.041 -19.098 -3.367 1.00 0.00 H new ATOM 662 N GLN A 46 2.352 -18.353 -3.251 1.00 0.00 N ATOM 663 CA GLN A 46 3.486 -17.438 -3.194 1.00 0.00 C ATOM 664 C GLN A 46 3.488 -16.498 -4.396 1.00 0.00 C ATOM 665 O GLN A 46 3.860 -15.331 -4.281 1.00 0.00 O ATOM 666 CB GLN A 46 4.799 -18.221 -3.143 1.00 0.00 C ATOM 667 CG GLN A 46 6.005 -17.366 -2.790 1.00 0.00 C ATOM 668 CD GLN A 46 7.306 -18.140 -2.846 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.344 -19.280 -3.310 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.383 -17.524 -2.373 1.00 0.00 N ATOM 0 H GLN A 46 2.565 -19.308 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 46 3.392 -16.840 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.706 -19.023 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.969 -18.692 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.060 -16.521 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.874 -16.955 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.306 -16.579 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.287 -17.996 -2.385 1.00 0.00 H new ATOM 679 N GLU A 47 3.069 -17.015 -5.546 1.00 0.00 N ATOM 680 CA GLU A 47 3.024 -16.221 -6.768 1.00 0.00 C ATOM 681 C GLU A 47 2.160 -14.978 -6.578 1.00 0.00 C ATOM 682 O GLU A 47 2.562 -13.868 -6.929 1.00 0.00 O ATOM 683 CB GLU A 47 2.482 -17.059 -7.928 1.00 0.00 C ATOM 684 CG GLU A 47 3.394 -18.206 -8.329 1.00 0.00 C ATOM 685 CD GLU A 47 4.851 -17.793 -8.406 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.159 -16.838 -9.148 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.683 -18.426 -7.723 1.00 0.00 O ATOM 0 H GLU A 47 2.756 -17.979 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 47 4.040 -15.904 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.508 -17.461 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.326 -16.412 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.288 -19.018 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.079 -18.595 -9.297 1.00 0.00 H new ATOM 694 N PHE A 48 0.969 -15.172 -6.020 1.00 0.00 N ATOM 695 CA PHE A 48 0.047 -14.067 -5.784 1.00 0.00 C ATOM 696 C PHE A 48 0.642 -13.062 -4.802 1.00 0.00 C ATOM 697 O PHE A 48 0.727 -11.869 -5.093 1.00 0.00 O ATOM 698 CB PHE A 48 -1.286 -14.594 -5.247 1.00 0.00 C ATOM 699 CG PHE A 48 -2.281 -13.510 -4.944 1.00 0.00 C ATOM 700 CD1 PHE A 48 -3.085 -12.990 -5.945 1.00 0.00 C ATOM 701 CD2 PHE A 48 -2.412 -13.012 -3.658 1.00 0.00 C ATOM 702 CE1 PHE A 48 -4.000 -11.992 -5.669 1.00 0.00 C ATOM 703 CE2 PHE A 48 -3.326 -12.014 -3.376 1.00 0.00 C ATOM 704 CZ PHE A 48 -4.122 -11.504 -4.383 1.00 0.00 C ATOM 0 H PHE A 48 0.620 -16.083 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.126 -13.561 -6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.718 -15.279 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.101 -15.170 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.996 -13.369 -6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.793 -13.408 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.620 -11.594 -6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.418 -11.633 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.838 -10.725 -4.165 1.00 0.00 H new ATOM 714 N VAL A 49 1.051 -13.553 -3.637 1.00 0.00 N ATOM 715 CA VAL A 49 1.639 -12.699 -2.611 1.00 0.00 C ATOM 716 C VAL A 49 2.735 -11.815 -3.195 1.00 0.00 C ATOM 717 O VAL A 49 2.747 -10.602 -2.985 1.00 0.00 O ATOM 718 CB VAL A 49 2.226 -13.532 -1.457 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.209 -12.701 -0.645 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.114 -14.074 -0.571 1.00 0.00 C ATOM 0 H VAL A 49 0.986 -14.538 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 49 0.837 -12.070 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 49 2.766 -14.379 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.614 -13.306 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.022 -12.367 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.696 -11.834 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.547 -14.660 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.544 -13.244 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.453 -14.707 -1.163 1.00 0.00 H new ATOM 730 N LYS A 50 3.656 -12.430 -3.929 1.00 0.00 N ATOM 731 CA LYS A 50 4.758 -11.700 -4.545 1.00 0.00 C ATOM 732 C LYS A 50 4.276 -10.372 -5.119 1.00 0.00 C ATOM 733 O LYS A 50 4.782 -9.310 -4.758 1.00 0.00 O ATOM 734 CB LYS A 50 5.399 -12.542 -5.650 1.00 0.00 C ATOM 735 CG LYS A 50 6.407 -11.777 -6.490 1.00 0.00 C ATOM 736 CD LYS A 50 7.697 -11.530 -5.727 1.00 0.00 C ATOM 737 CE LYS A 50 8.678 -10.702 -6.543 1.00 0.00 C ATOM 738 NZ LYS A 50 9.776 -10.153 -5.699 1.00 0.00 N ATOM 0 H LYS A 50 3.661 -13.433 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 50 5.502 -11.495 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.893 -13.403 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.615 -12.929 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.623 -12.337 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.977 -10.824 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.475 -11.016 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.154 -12.484 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.102 -11.318 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.147 -9.882 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.423 -9.595 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.373 -9.544 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.299 -10.936 -5.257 1.00 0.00 H new ATOM 752 N GLU A 51 3.294 -10.439 -6.013 1.00 0.00 N ATOM 753 CA GLU A 51 2.745 -9.240 -6.635 1.00 0.00 C ATOM 754 C GLU A 51 2.187 -8.287 -5.581 1.00 0.00 C ATOM 755 O GLU A 51 2.387 -7.075 -5.658 1.00 0.00 O ATOM 756 CB GLU A 51 1.646 -9.614 -7.632 1.00 0.00 C ATOM 757 CG GLU A 51 2.177 -10.184 -8.937 1.00 0.00 C ATOM 758 CD GLU A 51 1.072 -10.695 -9.842 1.00 0.00 C ATOM 759 OE1 GLU A 51 -0.064 -10.188 -9.737 1.00 0.00 O ATOM 760 OE2 GLU A 51 1.346 -11.602 -10.656 1.00 0.00 O ATOM 0 H GLU A 51 2.863 -11.310 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 51 3.552 -8.735 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.981 -10.344 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.047 -8.729 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.744 -9.415 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.869 -10.998 -8.719 1.00 0.00 H new ATOM 767 N TRP A 52 1.488 -8.844 -4.599 1.00 0.00 N ATOM 768 CA TRP A 52 0.901 -8.044 -3.530 1.00 0.00 C ATOM 769 C TRP A 52 1.951 -7.152 -2.878 1.00 0.00 C ATOM 770 O TRP A 52 1.666 -6.015 -2.501 1.00 0.00 O ATOM 771 CB TRP A 52 0.262 -8.952 -2.478 1.00 0.00 C ATOM 772 CG TRP A 52 -0.439 -8.198 -1.389 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.704 -7.685 -1.430 1.00 0.00 C ATOM 774 CD2 TRP A 52 0.088 -7.870 -0.098 1.00 0.00 C ATOM 775 NE1 TRP A 52 -1.995 -7.058 -0.242 1.00 0.00 N ATOM 776 CE2 TRP A 52 -0.913 -7.158 0.591 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.306 -8.110 0.542 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.730 -6.685 1.888 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.486 -7.640 1.829 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.472 -6.935 2.491 1.00 0.00 C ATOM 0 H TRP A 52 1.314 -9.846 -4.521 1.00 0.00 H new ATOM 0 HA TRP A 52 0.131 -7.408 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.451 -9.617 -2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.034 -9.582 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.376 -7.761 -2.272 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.875 -6.593 -0.017 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.093 -8.653 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.510 -6.140 2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.424 -7.819 2.333 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.643 -6.582 3.497 1.00 0.00 H new ATOM 791 N PHE A 53 3.167 -7.673 -2.750 1.00 0.00 N ATOM 792 CA PHE A 53 4.260 -6.923 -2.143 1.00 0.00 C ATOM 793 C PHE A 53 4.832 -5.904 -3.125 1.00 0.00 C ATOM 794 O PHE A 53 5.077 -4.753 -2.767 1.00 0.00 O ATOM 795 CB PHE A 53 5.364 -7.875 -1.677 1.00 0.00 C ATOM 796 CG PHE A 53 5.190 -8.347 -0.262 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.702 -7.613 0.795 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.516 -9.526 0.011 1.00 0.00 C ATOM 799 CE1 PHE A 53 5.544 -8.045 2.099 1.00 0.00 C ATOM 800 CE2 PHE A 53 4.354 -9.963 1.312 1.00 0.00 C ATOM 801 CZ PHE A 53 4.870 -9.222 2.357 1.00 0.00 C ATOM 0 H PHE A 53 3.420 -8.612 -3.059 1.00 0.00 H new ATOM 0 HA PHE A 53 3.864 -6.387 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.390 -8.740 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.328 -7.374 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.231 -6.692 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.112 -10.111 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.947 -7.463 2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.824 -10.883 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.746 -9.563 3.374 1.00 0.00 H new ATOM 811 N GLU A 54 5.042 -6.339 -4.363 1.00 0.00 N ATOM 812 CA GLU A 54 5.586 -5.466 -5.397 1.00 0.00 C ATOM 813 C GLU A 54 4.709 -4.231 -5.583 1.00 0.00 C ATOM 814 O GLU A 54 5.205 -3.104 -5.610 1.00 0.00 O ATOM 815 CB GLU A 54 5.710 -6.221 -6.721 1.00 0.00 C ATOM 816 CG GLU A 54 6.661 -7.405 -6.661 1.00 0.00 C ATOM 817 CD GLU A 54 6.888 -8.041 -8.018 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.047 -8.865 -8.435 1.00 0.00 O ATOM 819 OE2 GLU A 54 7.906 -7.715 -8.663 1.00 0.00 O ATOM 0 H GLU A 54 4.844 -7.290 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 54 6.577 -5.142 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.723 -6.573 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.051 -5.531 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.617 -7.078 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.261 -8.153 -5.976 1.00 0.00 H new ATOM 826 N GLN A 55 3.405 -4.452 -5.711 1.00 0.00 N ATOM 827 CA GLN A 55 2.460 -3.358 -5.896 1.00 0.00 C ATOM 828 C GLN A 55 2.692 -2.258 -4.866 1.00 0.00 C ATOM 829 O GLN A 55 2.758 -1.077 -5.208 1.00 0.00 O ATOM 830 CB GLN A 55 1.023 -3.874 -5.794 1.00 0.00 C ATOM 831 CG GLN A 55 0.472 -4.404 -7.108 1.00 0.00 C ATOM 832 CD GLN A 55 -1.022 -4.655 -7.054 1.00 0.00 C ATOM 833 OE1 GLN A 55 -1.807 -3.745 -6.789 1.00 0.00 O ATOM 834 NE2 GLN A 55 -1.423 -5.896 -7.308 1.00 0.00 N ATOM 0 H GLN A 55 2.979 -5.379 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 55 2.618 -2.939 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.983 -4.666 -5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.381 -3.068 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.688 -3.690 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.984 -5.332 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.737 -6.620 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.417 -6.125 -7.288 1.00 0.00 H new ATOM 843 N ARG A 56 2.814 -2.653 -3.603 1.00 0.00 N ATOM 844 CA ARG A 56 3.037 -1.700 -2.522 1.00 0.00 C ATOM 845 C ARG A 56 4.028 -0.620 -2.946 1.00 0.00 C ATOM 846 O ARG A 56 3.921 0.534 -2.530 1.00 0.00 O ATOM 847 CB ARG A 56 3.554 -2.421 -1.276 1.00 0.00 C ATOM 848 CG ARG A 56 3.388 -1.620 0.005 1.00 0.00 C ATOM 849 CD ARG A 56 1.998 -1.797 0.596 1.00 0.00 C ATOM 850 NE ARG A 56 1.027 -0.886 -0.005 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.214 -0.735 0.444 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.633 -1.431 1.491 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.038 0.114 -0.156 1.00 0.00 N ATOM 0 H ARG A 56 2.762 -3.626 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 56 2.085 -1.224 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.028 -3.370 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.610 -2.655 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.137 -1.935 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.566 -0.564 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.670 -2.826 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.037 -1.627 1.672 1.00 0.00 H new ATOM 0 HE ARG A 56 1.318 -0.336 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.002 -2.085 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.586 -1.313 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.719 0.651 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.991 0.230 0.189 1.00 0.00 H new ATOM 867 N LYS A 57 4.993 -1.002 -3.776 1.00 0.00 N ATOM 868 CA LYS A 57 6.003 -0.067 -4.257 1.00 0.00 C ATOM 869 C LYS A 57 5.380 0.988 -5.165 1.00 0.00 C ATOM 870 O LYS A 57 5.720 2.169 -5.086 1.00 0.00 O ATOM 871 CB LYS A 57 7.104 -0.818 -5.011 1.00 0.00 C ATOM 872 CG LYS A 57 7.786 -1.891 -4.181 1.00 0.00 C ATOM 873 CD LYS A 57 9.129 -2.284 -4.774 1.00 0.00 C ATOM 874 CE LYS A 57 8.972 -3.331 -5.866 1.00 0.00 C ATOM 875 NZ LYS A 57 10.228 -4.102 -6.080 1.00 0.00 N ATOM 0 H LYS A 57 5.097 -1.953 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 57 6.439 0.435 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.675 -1.277 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.853 -0.103 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.929 -1.529 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.143 -2.769 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.619 -1.401 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.776 -2.672 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.167 -4.016 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.682 -2.844 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.080 -4.805 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.991 -3.452 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.492 -4.588 -5.199 1.00 0.00 H new ATOM 889 N VAL A 58 4.464 0.556 -6.026 1.00 0.00 N ATOM 890 CA VAL A 58 3.791 1.464 -6.946 1.00 0.00 C ATOM 891 C VAL A 58 3.281 2.704 -6.220 1.00 0.00 C ATOM 892 O VAL A 58 3.309 3.809 -6.763 1.00 0.00 O ATOM 893 CB VAL A 58 2.609 0.774 -7.652 1.00 0.00 C ATOM 894 CG1 VAL A 58 1.904 1.745 -8.587 1.00 0.00 C ATOM 895 CG2 VAL A 58 3.086 -0.457 -8.409 1.00 0.00 C ATOM 0 H VAL A 58 4.171 -0.418 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 58 4.528 1.761 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 58 1.894 0.453 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.072 1.239 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.527 2.593 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.607 2.100 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.238 -0.932 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.822 -0.162 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.541 -1.160 -7.711 1.00 0.00 H new ATOM 905 N TYR A 59 2.816 2.513 -4.991 1.00 0.00 N ATOM 906 CA TYR A 59 2.297 3.616 -4.190 1.00 0.00 C ATOM 907 C TYR A 59 3.428 4.348 -3.474 1.00 0.00 C ATOM 908 O TYR A 59 3.515 5.574 -3.519 1.00 0.00 O ATOM 909 CB TYR A 59 1.281 3.100 -3.170 1.00 0.00 C ATOM 910 CG TYR A 59 0.416 1.976 -3.693 1.00 0.00 C ATOM 911 CD1 TYR A 59 0.889 0.670 -3.733 1.00 0.00 C ATOM 912 CD2 TYR A 59 -0.874 2.219 -4.148 1.00 0.00 C ATOM 913 CE1 TYR A 59 0.102 -0.361 -4.210 1.00 0.00 C ATOM 914 CE2 TYR A 59 -1.668 1.195 -4.625 1.00 0.00 C ATOM 915 CZ TYR A 59 -1.176 -0.093 -4.655 1.00 0.00 C ATOM 916 OH TYR A 59 -1.963 -1.116 -5.131 1.00 0.00 O ATOM 0 H TYR A 59 2.788 1.605 -4.527 1.00 0.00 H new ATOM 0 HA TYR A 59 1.802 4.318 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.812 2.756 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.641 3.925 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.889 0.457 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.263 3.226 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.485 -1.370 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.669 1.402 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.406 -1.757 -5.620 1.00 0.00 H new ATOM 926 N GLN A 60 4.293 3.584 -2.813 1.00 0.00 N ATOM 927 CA GLN A 60 5.419 4.159 -2.086 1.00 0.00 C ATOM 928 C GLN A 60 6.266 5.037 -3.001 1.00 0.00 C ATOM 929 O GLN A 60 6.868 6.015 -2.556 1.00 0.00 O ATOM 930 CB GLN A 60 6.282 3.050 -1.481 1.00 0.00 C ATOM 931 CG GLN A 60 7.399 2.580 -2.399 1.00 0.00 C ATOM 932 CD GLN A 60 8.682 3.363 -2.204 1.00 0.00 C ATOM 933 OE1 GLN A 60 8.783 4.522 -2.606 1.00 0.00 O ATOM 934 NE2 GLN A 60 9.673 2.731 -1.585 1.00 0.00 N ATOM 0 H GLN A 60 4.235 2.567 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 60 5.022 4.780 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.716 3.407 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.646 2.201 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.592 1.523 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.075 2.672 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.546 1.770 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.561 3.207 -1.426 1.00 0.00 H new ATOM 943 N TYR A 61 6.308 4.682 -4.281 1.00 0.00 N ATOM 944 CA TYR A 61 7.084 5.437 -5.258 1.00 0.00 C ATOM 945 C TYR A 61 6.289 6.630 -5.780 1.00 0.00 C ATOM 946 O TYR A 61 6.850 7.691 -6.055 1.00 0.00 O ATOM 947 CB TYR A 61 7.494 4.533 -6.422 1.00 0.00 C ATOM 948 CG TYR A 61 8.873 3.934 -6.267 1.00 0.00 C ATOM 949 CD1 TYR A 61 9.058 2.729 -5.601 1.00 0.00 C ATOM 950 CD2 TYR A 61 9.992 4.574 -6.788 1.00 0.00 C ATOM 951 CE1 TYR A 61 10.317 2.179 -5.457 1.00 0.00 C ATOM 952 CE2 TYR A 61 11.254 4.030 -6.649 1.00 0.00 C ATOM 953 CZ TYR A 61 11.412 2.833 -5.983 1.00 0.00 C ATOM 954 OH TYR A 61 12.667 2.287 -5.842 1.00 0.00 O ATOM 0 H TYR A 61 5.814 3.877 -4.666 1.00 0.00 H new ATOM 0 HA TYR A 61 7.981 5.810 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.766 3.728 -6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.459 5.108 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.203 2.213 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.872 5.512 -7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.443 1.242 -4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.113 4.540 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 61 13.328 2.871 -6.270 1.00 0.00 H new ATOM 964 N SER A 62 4.980 6.448 -5.914 1.00 0.00 N ATOM 965 CA SER A 62 4.107 7.507 -6.406 1.00 0.00 C ATOM 966 C SER A 62 3.901 8.580 -5.342 1.00 0.00 C ATOM 967 O SER A 62 4.327 9.723 -5.507 1.00 0.00 O ATOM 968 CB SER A 62 2.756 6.928 -6.830 1.00 0.00 C ATOM 969 OG SER A 62 1.889 7.946 -7.299 1.00 0.00 O ATOM 0 H SER A 62 4.500 5.577 -5.689 1.00 0.00 H new ATOM 0 HA SER A 62 4.586 7.965 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.905 6.184 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.296 6.415 -5.986 1.00 0.00 H new ATOM 0 HG SER A 62 1.033 7.550 -7.565 1.00 0.00 H new ATOM 975 N ASN A 63 3.246 8.203 -4.249 1.00 0.00 N ATOM 976 CA ASN A 63 2.982 9.133 -3.156 1.00 0.00 C ATOM 977 C ASN A 63 4.167 10.071 -2.943 1.00 0.00 C ATOM 978 O ASN A 63 3.992 11.275 -2.760 1.00 0.00 O ATOM 979 CB ASN A 63 2.687 8.366 -1.866 1.00 0.00 C ATOM 980 CG ASN A 63 3.945 8.044 -1.084 1.00 0.00 C ATOM 981 OD1 ASN A 63 4.593 7.025 -1.321 1.00 0.00 O ATOM 982 ND2 ASN A 63 4.296 8.913 -0.143 1.00 0.00 N ATOM 0 H ASN A 63 2.888 7.260 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 63 2.110 9.731 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.015 8.955 -1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.166 7.440 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.132 8.748 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.729 9.745 0.020 1.00 0.00 H new ATOM 989 N SER A 64 5.371 9.510 -2.969 1.00 0.00 N ATOM 990 CA SER A 64 6.585 10.295 -2.776 1.00 0.00 C ATOM 991 C SER A 64 6.909 11.110 -4.024 1.00 0.00 C ATOM 992 O SER A 64 6.976 10.573 -5.130 1.00 0.00 O ATOM 993 CB SER A 64 7.761 9.379 -2.432 1.00 0.00 C ATOM 994 OG SER A 64 8.880 10.129 -1.992 1.00 0.00 O ATOM 0 H SER A 64 5.532 8.515 -3.122 1.00 0.00 H new ATOM 0 HA SER A 64 6.415 10.983 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.463 8.675 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.035 8.790 -3.307 1.00 0.00 H new ATOM 0 HG SER A 64 9.617 9.521 -1.777 1.00 0.00 H new ATOM 1000 N ARG A 65 7.109 12.411 -3.838 1.00 0.00 N ATOM 1001 CA ARG A 65 7.425 13.302 -4.948 1.00 0.00 C ATOM 1002 C ARG A 65 8.715 12.872 -5.640 1.00 0.00 C ATOM 1003 O ARG A 65 9.778 12.827 -5.021 1.00 0.00 O ATOM 1004 CB ARG A 65 7.556 14.743 -4.451 1.00 0.00 C ATOM 1005 CG ARG A 65 7.719 15.760 -5.569 1.00 0.00 C ATOM 1006 CD ARG A 65 6.404 16.011 -6.290 1.00 0.00 C ATOM 1007 NE ARG A 65 6.383 17.312 -6.953 1.00 0.00 N ATOM 1008 CZ ARG A 65 5.526 17.633 -7.916 1.00 0.00 C ATOM 1009 NH1 ARG A 65 4.625 16.751 -8.327 1.00 0.00 N ATOM 1010 NH2 ARG A 65 5.569 18.838 -8.470 1.00 0.00 N ATOM 0 H ARG A 65 7.058 12.871 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 65 6.610 13.246 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.673 14.998 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.413 14.811 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.094 16.697 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.463 15.403 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.239 15.226 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.583 15.955 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 65 7.064 18.013 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.589 15.824 -7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.968 17.000 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.261 19.519 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.910 19.083 -9.209 1.00 0.00 H new ATOM 1024 N SER A 66 8.613 12.556 -6.927 1.00 0.00 N ATOM 1025 CA SER A 66 9.771 12.125 -7.702 1.00 0.00 C ATOM 1026 C SER A 66 9.571 12.419 -9.186 1.00 0.00 C ATOM 1027 O SER A 66 8.523 12.115 -9.754 1.00 0.00 O ATOM 1028 CB SER A 66 10.022 10.630 -7.496 1.00 0.00 C ATOM 1029 OG SER A 66 8.896 9.865 -7.889 1.00 0.00 O ATOM 0 H SER A 66 7.741 12.590 -7.455 1.00 0.00 H new ATOM 0 HA SER A 66 10.639 12.683 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.894 10.322 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.249 10.437 -6.447 1.00 0.00 H new ATOM 0 HG SER A 66 8.398 10.348 -8.582 1.00 0.00 H new ATOM 1035 N GLY A 67 10.585 13.012 -9.808 1.00 0.00 N ATOM 1036 CA GLY A 67 10.502 13.337 -11.219 1.00 0.00 C ATOM 1037 C GLY A 67 11.051 14.716 -11.530 1.00 0.00 C ATOM 1038 O GLY A 67 11.644 15.378 -10.678 1.00 0.00 O ATOM 0 H GLY A 67 11.463 13.273 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.053 12.592 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.462 13.282 -11.541 1.00 0.00 H new ATOM 1042 N PRO A 68 10.856 15.167 -12.778 1.00 0.00 N ATOM 1043 CA PRO A 68 11.329 16.480 -13.228 1.00 0.00 C ATOM 1044 C PRO A 68 10.555 17.626 -12.587 1.00 0.00 C ATOM 1045 O PRO A 68 9.343 17.537 -12.393 1.00 0.00 O ATOM 1046 CB PRO A 68 11.083 16.446 -14.739 1.00 0.00 C ATOM 1047 CG PRO A 68 9.975 15.467 -14.920 1.00 0.00 C ATOM 1048 CD PRO A 68 10.157 14.432 -13.845 1.00 0.00 C ATOM 0 HA PRO A 68 12.370 16.654 -12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.807 17.430 -15.118 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.978 16.136 -15.279 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.005 15.955 -14.831 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.014 15.012 -15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.201 14.038 -13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.743 13.584 -14.199 1.00 0.00 H new ATOM 1056 N SER A 69 11.263 18.703 -12.261 1.00 0.00 N ATOM 1057 CA SER A 69 10.642 19.866 -11.639 1.00 0.00 C ATOM 1058 C SER A 69 10.800 21.102 -12.519 1.00 0.00 C ATOM 1059 O SER A 69 11.577 21.103 -13.474 1.00 0.00 O ATOM 1060 CB SER A 69 11.258 20.125 -10.263 1.00 0.00 C ATOM 1061 OG SER A 69 10.353 20.818 -9.421 1.00 0.00 O ATOM 0 H SER A 69 12.267 18.794 -12.417 1.00 0.00 H new ATOM 0 HA SER A 69 9.579 19.659 -11.520 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.536 19.177 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.173 20.706 -10.375 1.00 0.00 H new ATOM 0 HG SER A 69 10.770 20.970 -8.547 1.00 0.00 H new ATOM 1067 N SER A 70 10.055 22.154 -12.191 1.00 0.00 N ATOM 1068 CA SER A 70 10.109 23.396 -12.954 1.00 0.00 C ATOM 1069 C SER A 70 11.522 23.969 -12.960 1.00 0.00 C ATOM 1070 O SER A 70 12.044 24.353 -14.006 1.00 0.00 O ATOM 1071 CB SER A 70 9.133 24.420 -12.370 1.00 0.00 C ATOM 1072 OG SER A 70 7.793 23.979 -12.500 1.00 0.00 O ATOM 0 H SER A 70 9.408 22.171 -11.403 1.00 0.00 H new ATOM 0 HA SER A 70 9.821 23.175 -13.982 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.363 24.588 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.256 25.376 -12.880 1.00 0.00 H new ATOM 0 HG SER A 70 7.189 24.650 -12.118 1.00 0.00 H new ATOM 1078 N GLY A 71 12.137 24.024 -11.782 1.00 0.00 N ATOM 1079 CA GLY A 71 13.485 24.552 -11.673 1.00 0.00 C ATOM 1080 C GLY A 71 14.220 24.018 -10.460 1.00 0.00 C ATOM 1081 O GLY A 71 14.224 24.647 -9.402 1.00 0.00 O ATOM 0 H GLY A 71 11.726 23.713 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.045 24.299 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.443 25.640 -11.619 1.00 0.00 H new TER 1085 GLY A 71