USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -119:sc= 0.929 (180deg=-0.281) USER MOD Set 1.2: A 74 CYS SG : rot -20:sc= -0.319 USER MOD Single : A 1 SER N :NH3+ -172:sc= 0 (180deg=-0.0459) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 130:sc= -1.42 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc=-0.00112 (180deg=-0.13) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.251 (180deg=-1.09) USER MOD Single : A 11 SER OG : rot -80:sc= 1.21 USER MOD Single : A 12 TYR OH : rot -141:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.0194 (180deg=0.00376) USER MOD Single : A 17 GLN : amide:sc= 0.643 K(o=0.64,f=-4.8!) USER MOD Single : A 19 SER OG : rot 139:sc= -2.38! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0183 (180deg=-0.187) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.983 K(o=-0.98,f=-3.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -27:sc= 0.542! USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.075) USER MOD Single : A 46 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.42) USER MOD Single : A 47 SER OG : rot 86:sc= 1.01 USER MOD Single : A 48 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.36) USER MOD Single : A 58 THR OG1 : rot -158:sc= -1.7! USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.13) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 63 THR OG1 : rot 157:sc= -0.0349 USER MOD Single : A 70 TYR OH : rot 179:sc= 1.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 73 SER OG : rot -45:sc= 1.26 USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.0429 (180deg=-0.301) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0126 (180deg=-0.16) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0431 (180deg=-0.282) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 203 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.08) USER MOD Single : B 205 LYS NZ :NH3+ 170:sc= 0.698 (180deg=0.525) USER MOD Single : B 207 THR OG1 : rot 41:sc= 0.098 USER MOD Single : B 208 LYS NZ :NH3+ 177:sc= -0.222! (180deg=-0.294!) USER MOD Single : B 209 THR OG1 : rot 13:sc= 0.872 USER MOD Single : B 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 212 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.079 -7.191 -12.526 1.00 0.00 N ATOM 2 CA SER A 1 -12.628 -5.792 -12.388 1.00 0.00 C ATOM 3 C SER A 1 -13.636 -4.966 -11.592 1.00 0.00 C ATOM 4 O SER A 1 -13.260 -4.203 -10.703 1.00 0.00 O ATOM 5 CB SER A 1 -12.428 -5.177 -13.772 1.00 0.00 C ATOM 6 OG SER A 1 -11.535 -5.958 -14.552 1.00 0.00 O ATOM 0 H1 SER A 1 -12.319 -7.760 -12.950 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.316 -7.573 -11.588 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.920 -7.226 -13.137 1.00 0.00 H new ATOM 0 HA SER A 1 -11.682 -5.787 -11.846 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.388 -5.099 -14.281 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.038 -4.164 -13.671 1.00 0.00 H new ATOM 0 HG SER A 1 -11.424 -5.545 -15.434 1.00 0.00 H new ATOM 14 N GLU A 2 -14.917 -5.145 -11.895 1.00 0.00 N ATOM 15 CA GLU A 2 -15.973 -4.340 -11.283 1.00 0.00 C ATOM 16 C GLU A 2 -16.009 -4.488 -9.763 1.00 0.00 C ATOM 17 O GLU A 2 -16.321 -3.536 -9.053 1.00 0.00 O ATOM 18 CB GLU A 2 -17.337 -4.708 -11.868 1.00 0.00 C ATOM 19 CG GLU A 2 -17.445 -4.447 -13.360 1.00 0.00 C ATOM 20 CD GLU A 2 -18.768 -4.897 -13.938 1.00 0.00 C ATOM 21 OE1 GLU A 2 -19.820 -4.482 -13.412 1.00 0.00 O ATOM 22 OE2 GLU A 2 -18.762 -5.674 -14.923 1.00 0.00 O ATOM 0 H GLU A 2 -15.252 -5.841 -12.561 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.746 -3.298 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.533 -5.763 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.111 -4.141 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.315 -3.381 -13.548 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.634 -4.963 -13.874 1.00 0.00 H new ATOM 29 N GLU A 3 -15.685 -5.668 -9.258 1.00 0.00 N ATOM 30 CA GLU A 3 -15.778 -5.913 -7.826 1.00 0.00 C ATOM 31 C GLU A 3 -14.553 -5.419 -7.068 1.00 0.00 C ATOM 32 O GLU A 3 -14.633 -5.175 -5.866 1.00 0.00 O ATOM 33 CB GLU A 3 -16.023 -7.391 -7.543 1.00 0.00 C ATOM 34 CG GLU A 3 -17.474 -7.795 -7.720 1.00 0.00 C ATOM 35 CD GLU A 3 -18.400 -6.996 -6.826 1.00 0.00 C ATOM 36 OE1 GLU A 3 -18.569 -7.373 -5.650 1.00 0.00 O ATOM 37 OE2 GLU A 3 -18.955 -5.976 -7.292 1.00 0.00 O ATOM 0 H GLU A 3 -15.359 -6.462 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.631 -5.339 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.401 -7.991 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.710 -7.617 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.765 -7.654 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.584 -8.857 -7.499 1.00 0.00 H new ATOM 44 N GLU A 4 -13.421 -5.279 -7.743 1.00 0.00 N ATOM 45 CA GLU A 4 -12.232 -4.761 -7.077 1.00 0.00 C ATOM 46 C GLU A 4 -12.176 -3.238 -7.167 1.00 0.00 C ATOM 47 O GLU A 4 -11.773 -2.573 -6.215 1.00 0.00 O ATOM 48 CB GLU A 4 -10.945 -5.397 -7.624 1.00 0.00 C ATOM 49 CG GLU A 4 -10.663 -5.114 -9.090 1.00 0.00 C ATOM 50 CD GLU A 4 -9.387 -5.779 -9.558 1.00 0.00 C ATOM 51 OE1 GLU A 4 -9.424 -6.984 -9.882 1.00 0.00 O ATOM 52 OE2 GLU A 4 -8.331 -5.112 -9.583 1.00 0.00 O ATOM 0 H GLU A 4 -13.300 -5.510 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.303 -5.037 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.102 -5.042 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.002 -6.476 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.499 -5.466 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.589 -4.038 -9.244 1.00 0.00 H new ATOM 59 N ASP A 5 -12.606 -2.684 -8.300 1.00 0.00 N ATOM 60 CA ASP A 5 -12.590 -1.233 -8.482 1.00 0.00 C ATOM 61 C ASP A 5 -13.803 -0.585 -7.820 1.00 0.00 C ATOM 62 O ASP A 5 -13.829 0.626 -7.609 1.00 0.00 O ATOM 63 CB ASP A 5 -12.524 -0.846 -9.971 1.00 0.00 C ATOM 64 CG ASP A 5 -11.194 -1.195 -10.607 1.00 0.00 C ATOM 65 OD1 ASP A 5 -10.206 -0.464 -10.371 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.134 -2.181 -11.370 1.00 0.00 O ATOM 0 H ASP A 5 -12.965 -3.210 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.688 -0.859 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.324 -1.353 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.701 0.225 -10.072 1.00 0.00 H new ATOM 71 N LYS A 6 -14.801 -1.393 -7.477 1.00 0.00 N ATOM 72 CA LYS A 6 -15.989 -0.895 -6.801 1.00 0.00 C ATOM 73 C LYS A 6 -16.214 -1.712 -5.532 1.00 0.00 C ATOM 74 O LYS A 6 -17.344 -2.008 -5.136 1.00 0.00 O ATOM 75 CB LYS A 6 -17.207 -0.954 -7.734 1.00 0.00 C ATOM 76 CG LYS A 6 -18.470 -0.268 -7.200 1.00 0.00 C ATOM 77 CD LYS A 6 -18.298 1.241 -7.060 1.00 0.00 C ATOM 78 CE LYS A 6 -17.832 1.641 -5.666 1.00 0.00 C ATOM 79 NZ LYS A 6 -17.601 3.104 -5.557 1.00 0.00 N ATOM 0 H LYS A 6 -14.809 -2.397 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.847 0.150 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.938 -0.496 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.439 -1.999 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.304 -0.475 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.728 -0.693 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.576 1.592 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.245 1.735 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.578 1.336 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.912 1.109 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.285 3.335 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.871 3.392 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.485 3.611 -5.762 1.00 0.00 H new ATOM 93 N CYS A 7 -15.109 -2.104 -4.921 1.00 0.00 N ATOM 94 CA CYS A 7 -15.139 -2.894 -3.699 1.00 0.00 C ATOM 95 C CYS A 7 -15.589 -2.039 -2.518 1.00 0.00 C ATOM 96 O CYS A 7 -15.653 -0.813 -2.607 1.00 0.00 O ATOM 97 CB CYS A 7 -13.753 -3.481 -3.423 1.00 0.00 C ATOM 98 SG CYS A 7 -13.734 -4.806 -2.189 1.00 0.00 S ATOM 0 H CYS A 7 -14.170 -1.886 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.853 -3.707 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.342 -3.865 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.093 -2.681 -3.089 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.085 -5.829 -2.661 1.00 0.00 H new ATOM 104 N LYS A 8 -15.899 -2.702 -1.417 1.00 0.00 N ATOM 105 CA LYS A 8 -16.348 -2.029 -0.212 1.00 0.00 C ATOM 106 C LYS A 8 -15.158 -1.701 0.680 1.00 0.00 C ATOM 107 O LYS A 8 -14.189 -2.462 0.738 1.00 0.00 O ATOM 108 CB LYS A 8 -17.353 -2.906 0.543 1.00 0.00 C ATOM 109 CG LYS A 8 -18.789 -2.783 0.044 1.00 0.00 C ATOM 110 CD LYS A 8 -18.917 -3.110 -1.436 1.00 0.00 C ATOM 111 CE LYS A 8 -20.361 -3.032 -1.903 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.195 -4.106 -1.302 1.00 0.00 N ATOM 0 H LYS A 8 -15.847 -3.717 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.841 -1.099 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.041 -3.947 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.324 -2.644 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.429 -3.453 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.147 -1.769 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.308 -2.417 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.527 -4.110 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.776 -2.059 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.396 -3.110 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.118 -4.137 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.715 -5.022 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.336 -3.911 -0.290 1.00 0.00 H new ATOM 126 N PRO A 9 -15.208 -0.555 1.380 1.00 0.00 N ATOM 127 CA PRO A 9 -14.122 -0.119 2.256 1.00 0.00 C ATOM 128 C PRO A 9 -13.847 -1.104 3.377 1.00 0.00 C ATOM 129 O PRO A 9 -14.771 -1.615 4.017 1.00 0.00 O ATOM 130 CB PRO A 9 -14.614 1.191 2.855 1.00 0.00 C ATOM 131 CG PRO A 9 -15.743 1.638 1.990 1.00 0.00 C ATOM 132 CD PRO A 9 -16.329 0.400 1.373 1.00 0.00 C ATOM 0 HA PRO A 9 -13.192 -0.028 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.943 1.050 3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.818 1.935 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.492 2.171 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.392 2.326 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.176 0.028 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.689 0.588 0.362 1.00 0.00 H new ATOM 140 N MET A 10 -12.574 -1.360 3.612 1.00 0.00 N ATOM 141 CA MET A 10 -12.158 -2.218 4.702 1.00 0.00 C ATOM 142 C MET A 10 -12.134 -1.431 6.007 1.00 0.00 C ATOM 143 O MET A 10 -11.996 -0.204 6.002 1.00 0.00 O ATOM 144 CB MET A 10 -10.786 -2.825 4.405 1.00 0.00 C ATOM 145 CG MET A 10 -9.700 -1.798 4.160 1.00 0.00 C ATOM 146 SD MET A 10 -8.106 -2.545 3.777 1.00 0.00 S ATOM 147 CE MET A 10 -8.532 -3.576 2.374 1.00 0.00 C ATOM 0 H MET A 10 -11.806 -0.982 3.057 1.00 0.00 H new ATOM 0 HA MET A 10 -12.874 -3.033 4.806 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.491 -3.458 5.242 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.867 -3.470 3.530 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.999 -1.149 3.337 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.598 -1.167 5.043 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.635 -3.788 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.964 -4.512 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.257 -3.056 1.747 1.00 0.00 H new ATOM 157 N SER A 11 -12.275 -2.146 7.110 1.00 0.00 N ATOM 158 CA SER A 11 -12.392 -1.541 8.431 1.00 0.00 C ATOM 159 C SER A 11 -11.082 -0.907 8.905 1.00 0.00 C ATOM 160 O SER A 11 -10.055 -0.991 8.225 1.00 0.00 O ATOM 161 CB SER A 11 -12.860 -2.592 9.443 1.00 0.00 C ATOM 162 OG SER A 11 -11.988 -3.714 9.462 1.00 0.00 O ATOM 0 H SER A 11 -12.312 -3.165 7.117 1.00 0.00 H new ATOM 0 HA SER A 11 -13.128 -0.740 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.906 -2.148 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.870 -2.917 9.192 1.00 0.00 H new ATOM 0 HG SER A 11 -12.196 -4.303 8.707 1.00 0.00 H new ATOM 168 N TYR A 12 -11.123 -0.296 10.085 1.00 0.00 N ATOM 169 CA TYR A 12 -9.961 0.385 10.649 1.00 0.00 C ATOM 170 C TYR A 12 -8.826 -0.609 10.886 1.00 0.00 C ATOM 171 O TYR A 12 -7.663 -0.318 10.593 1.00 0.00 O ATOM 172 CB TYR A 12 -10.362 1.086 11.952 1.00 0.00 C ATOM 173 CG TYR A 12 -9.341 2.077 12.466 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.215 1.656 13.156 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.522 3.438 12.274 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.294 2.565 13.639 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.606 4.353 12.749 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.496 3.912 13.433 1.00 0.00 C ATOM 179 OH TYR A 12 -6.585 4.828 13.907 1.00 0.00 O ATOM 0 H TYR A 12 -11.955 -0.258 10.674 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.603 1.136 9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.308 1.605 11.795 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.536 0.331 12.718 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.055 0.600 13.319 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.395 3.788 11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.421 2.222 14.175 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.759 5.410 12.585 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.059 5.615 14.249 1.00 0.00 H new ATOM 189 N GLU A 13 -9.181 -1.792 11.381 1.00 0.00 N ATOM 190 CA GLU A 13 -8.207 -2.847 11.645 1.00 0.00 C ATOM 191 C GLU A 13 -7.465 -3.216 10.365 1.00 0.00 C ATOM 192 O GLU A 13 -6.248 -3.401 10.366 1.00 0.00 O ATOM 193 CB GLU A 13 -8.906 -4.090 12.207 1.00 0.00 C ATOM 194 CG GLU A 13 -7.945 -5.171 12.672 1.00 0.00 C ATOM 195 CD GLU A 13 -8.651 -6.464 13.017 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.339 -6.516 14.059 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.528 -7.436 12.243 1.00 0.00 O ATOM 0 H GLU A 13 -10.143 -2.045 11.609 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.492 -2.476 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.538 -3.794 13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.563 -4.504 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.210 -5.360 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.398 -4.815 13.545 1.00 0.00 H new ATOM 204 N GLU A 14 -8.213 -3.283 9.274 1.00 0.00 N ATOM 205 CA GLU A 14 -7.670 -3.703 7.988 1.00 0.00 C ATOM 206 C GLU A 14 -6.792 -2.612 7.385 1.00 0.00 C ATOM 207 O GLU A 14 -5.683 -2.884 6.934 1.00 0.00 O ATOM 208 CB GLU A 14 -8.806 -4.060 7.031 1.00 0.00 C ATOM 209 CG GLU A 14 -9.589 -5.299 7.440 1.00 0.00 C ATOM 210 CD GLU A 14 -10.873 -5.454 6.655 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.882 -4.818 7.028 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.882 -6.209 5.661 1.00 0.00 O ATOM 0 H GLU A 14 -9.206 -3.050 9.253 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.051 -4.586 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.491 -3.215 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.393 -4.215 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.968 -6.183 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.821 -5.245 8.504 1.00 0.00 H new ATOM 219 N LYS A 15 -7.291 -1.376 7.391 1.00 0.00 N ATOM 220 CA LYS A 15 -6.522 -0.235 6.907 1.00 0.00 C ATOM 221 C LYS A 15 -5.209 -0.098 7.675 1.00 0.00 C ATOM 222 O LYS A 15 -4.151 0.138 7.088 1.00 0.00 O ATOM 223 CB LYS A 15 -7.343 1.050 7.029 1.00 0.00 C ATOM 224 CG LYS A 15 -8.460 1.161 6.009 1.00 0.00 C ATOM 225 CD LYS A 15 -9.432 2.275 6.361 1.00 0.00 C ATOM 226 CE LYS A 15 -10.098 2.835 5.117 1.00 0.00 C ATOM 227 NZ LYS A 15 -11.173 3.806 5.448 1.00 0.00 N ATOM 0 H LYS A 15 -8.225 -1.142 7.726 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.287 -0.404 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.771 1.103 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.678 1.907 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.035 1.347 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.997 0.214 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.192 1.896 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.903 3.072 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.349 3.323 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.517 2.017 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.414 4.360 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.015 3.292 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.843 4.447 6.198 1.00 0.00 H new ATOM 241 N ARG A 16 -5.284 -0.254 8.992 1.00 0.00 N ATOM 242 CA ARG A 16 -4.093 -0.233 9.834 1.00 0.00 C ATOM 243 C ARG A 16 -3.150 -1.368 9.452 1.00 0.00 C ATOM 244 O ARG A 16 -1.946 -1.165 9.289 1.00 0.00 O ATOM 245 CB ARG A 16 -4.475 -0.376 11.307 1.00 0.00 C ATOM 246 CG ARG A 16 -3.287 -0.288 12.254 1.00 0.00 C ATOM 247 CD ARG A 16 -3.528 -1.093 13.521 1.00 0.00 C ATOM 248 NE ARG A 16 -3.563 -2.532 13.249 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.402 -3.387 13.835 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.305 -2.951 14.709 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.343 -4.682 13.536 1.00 0.00 N ATOM 0 H ARG A 16 -6.157 -0.396 9.500 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.591 0.723 9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.193 0.402 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.976 -1.333 11.453 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.392 -0.655 11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.102 0.755 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.741 -0.878 14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.470 -0.785 13.974 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.902 -2.904 12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.359 -1.958 14.934 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.944 -3.610 15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.657 -5.019 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.983 -5.338 13.983 1.00 0.00 H new ATOM 265 N GLN A 17 -3.712 -2.562 9.302 1.00 0.00 N ATOM 266 CA GLN A 17 -2.934 -3.749 9.002 1.00 0.00 C ATOM 267 C GLN A 17 -2.307 -3.658 7.618 1.00 0.00 C ATOM 268 O GLN A 17 -1.263 -4.243 7.362 1.00 0.00 O ATOM 269 CB GLN A 17 -3.817 -4.995 9.104 1.00 0.00 C ATOM 270 CG GLN A 17 -3.029 -6.279 9.275 1.00 0.00 C ATOM 271 CD GLN A 17 -2.184 -6.268 10.536 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.545 -5.637 11.532 1.00 0.00 O ATOM 273 NE2 GLN A 17 -1.058 -6.957 10.503 1.00 0.00 N ATOM 0 H GLN A 17 -4.715 -2.730 9.385 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.128 -3.823 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.498 -4.880 9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.431 -5.071 8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.717 -7.124 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.384 -6.426 8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.796 -7.466 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.450 -6.981 11.322 1.00 0.00 H new ATOM 282 N LEU A 18 -2.948 -2.904 6.742 1.00 0.00 N ATOM 283 CA LEU A 18 -2.462 -2.701 5.380 1.00 0.00 C ATOM 284 C LEU A 18 -1.243 -1.786 5.399 1.00 0.00 C ATOM 285 O LEU A 18 -0.285 -1.962 4.657 1.00 0.00 O ATOM 286 CB LEU A 18 -3.579 -2.090 4.531 1.00 0.00 C ATOM 287 CG LEU A 18 -3.715 -2.615 3.097 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.014 -2.130 2.488 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.552 -2.175 2.229 1.00 0.00 C ATOM 0 H LEU A 18 -3.818 -2.414 6.950 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.170 -3.657 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.526 -2.253 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.422 -1.012 4.486 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.713 -3.704 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.102 -2.508 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.852 -2.492 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.024 -1.040 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.683 -2.566 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.515 -1.086 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.621 -2.556 2.648 1.00 0.00 H new ATOM 301 N SER A 19 -1.281 -0.802 6.269 1.00 0.00 N ATOM 302 CA SER A 19 -0.124 0.043 6.489 1.00 0.00 C ATOM 303 C SER A 19 1.031 -0.815 7.015 1.00 0.00 C ATOM 304 O SER A 19 2.209 -0.576 6.723 1.00 0.00 O ATOM 305 CB SER A 19 -0.490 1.160 7.479 1.00 0.00 C ATOM 306 OG SER A 19 0.574 2.074 7.672 1.00 0.00 O ATOM 0 H SER A 19 -2.096 -0.566 6.835 1.00 0.00 H new ATOM 0 HA SER A 19 0.192 0.508 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.365 1.696 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.765 0.718 8.437 1.00 0.00 H new ATOM 0 HG SER A 19 0.220 2.988 7.696 1.00 0.00 H new ATOM 312 N LEU A 20 0.665 -1.850 7.750 1.00 0.00 N ATOM 313 CA LEU A 20 1.625 -2.758 8.341 1.00 0.00 C ATOM 314 C LEU A 20 2.114 -3.808 7.338 1.00 0.00 C ATOM 315 O LEU A 20 3.267 -4.234 7.400 1.00 0.00 O ATOM 316 CB LEU A 20 1.000 -3.427 9.555 1.00 0.00 C ATOM 317 CG LEU A 20 0.768 -2.493 10.737 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.174 -3.268 11.889 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.066 -1.808 11.145 1.00 0.00 C ATOM 0 H LEU A 20 -0.307 -2.083 7.953 1.00 0.00 H new ATOM 0 HA LEU A 20 2.498 -2.182 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.047 -3.867 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.644 -4.246 9.875 1.00 0.00 H new ATOM 0 HG LEU A 20 0.064 -1.714 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.009 -2.597 12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.776 -3.705 11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.860 -4.062 12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.878 -1.146 11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.801 -2.561 11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.449 -1.226 10.307 1.00 0.00 H new ATOM 331 N ASP A 21 1.247 -4.211 6.411 1.00 0.00 N ATOM 332 CA ASP A 21 1.591 -5.257 5.452 1.00 0.00 C ATOM 333 C ASP A 21 2.478 -4.719 4.326 1.00 0.00 C ATOM 334 O ASP A 21 3.343 -5.435 3.814 1.00 0.00 O ATOM 335 CB ASP A 21 0.331 -5.969 4.915 1.00 0.00 C ATOM 336 CG ASP A 21 -0.659 -5.101 4.177 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.246 -4.217 3.418 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.876 -5.345 4.338 1.00 0.00 O ATOM 0 H ASP A 21 0.306 -3.831 6.304 1.00 0.00 H new ATOM 0 HA ASP A 21 2.177 -6.009 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.648 -6.771 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.183 -6.437 5.755 1.00 0.00 H new ATOM 343 N ILE A 22 2.303 -3.450 3.970 1.00 0.00 N ATOM 344 CA ILE A 22 3.185 -2.811 2.995 1.00 0.00 C ATOM 345 C ILE A 22 4.533 -2.519 3.630 1.00 0.00 C ATOM 346 O ILE A 22 5.576 -2.586 2.978 1.00 0.00 O ATOM 347 CB ILE A 22 2.570 -1.509 2.449 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.278 -1.822 1.699 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.542 -0.782 1.534 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.426 -0.612 1.471 1.00 0.00 C ATOM 0 H ILE A 22 1.566 -2.847 4.337 1.00 0.00 H new ATOM 0 HA ILE A 22 3.317 -3.498 2.159 1.00 0.00 H new ATOM 0 HB ILE A 22 2.350 -0.855 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.523 -2.274 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.707 -2.561 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.079 0.133 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.447 -0.533 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.799 -1.424 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.478 -0.899 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.153 -0.173 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.981 0.118 0.883 1.00 0.00 H new ATOM 362 N ASN A 23 4.496 -2.216 4.920 1.00 0.00 N ATOM 363 CA ASN A 23 5.698 -2.024 5.716 1.00 0.00 C ATOM 364 C ASN A 23 6.573 -3.285 5.681 1.00 0.00 C ATOM 365 O ASN A 23 7.787 -3.226 5.891 1.00 0.00 O ATOM 366 CB ASN A 23 5.272 -1.702 7.149 1.00 0.00 C ATOM 367 CG ASN A 23 6.423 -1.616 8.131 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.852 -2.623 8.696 1.00 0.00 O ATOM 369 ND2 ASN A 23 6.898 -0.408 8.374 1.00 0.00 N ATOM 0 H ASN A 23 3.629 -2.096 5.444 1.00 0.00 H new ATOM 0 HA ASN A 23 6.289 -1.203 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.734 -0.754 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.574 -2.466 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.649 -0.282 9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.514 0.399 7.883 1.00 0.00 H new ATOM 376 N LYS A 24 5.942 -4.420 5.395 1.00 0.00 N ATOM 377 CA LYS A 24 6.624 -5.710 5.374 1.00 0.00 C ATOM 378 C LYS A 24 7.347 -5.958 4.053 1.00 0.00 C ATOM 379 O LYS A 24 8.359 -6.659 4.018 1.00 0.00 O ATOM 380 CB LYS A 24 5.616 -6.828 5.631 1.00 0.00 C ATOM 381 CG LYS A 24 5.077 -6.829 7.049 1.00 0.00 C ATOM 382 CD LYS A 24 4.032 -7.910 7.258 1.00 0.00 C ATOM 383 CE LYS A 24 3.414 -7.815 8.647 1.00 0.00 C ATOM 384 NZ LYS A 24 4.438 -7.919 9.722 1.00 0.00 N ATOM 0 H LYS A 24 4.948 -4.472 5.172 1.00 0.00 H new ATOM 0 HA LYS A 24 7.378 -5.698 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.785 -6.727 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.089 -7.789 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.899 -6.979 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.641 -5.855 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.252 -7.817 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.488 -8.891 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.883 -6.868 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.677 -8.608 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.965 -8.020 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.040 -8.749 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.025 -7.060 9.727 1.00 0.00 H new ATOM 398 N LEU A 25 6.828 -5.391 2.974 1.00 0.00 N ATOM 399 CA LEU A 25 7.403 -5.599 1.648 1.00 0.00 C ATOM 400 C LEU A 25 8.824 -5.053 1.550 1.00 0.00 C ATOM 401 O LEU A 25 9.087 -3.915 1.938 1.00 0.00 O ATOM 402 CB LEU A 25 6.545 -4.921 0.588 1.00 0.00 C ATOM 403 CG LEU A 25 5.105 -5.391 0.508 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.470 -4.855 -0.751 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.032 -6.897 0.538 1.00 0.00 C ATOM 0 H LEU A 25 6.009 -4.783 2.988 1.00 0.00 H new ATOM 0 HA LEU A 25 7.432 -6.676 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.548 -3.847 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.013 -5.075 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 25 4.560 -5.012 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.435 -5.193 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.496 -3.765 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.019 -5.219 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.990 -7.212 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.583 -7.305 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.471 -7.264 1.466 1.00 0.00 H new ATOM 417 N PRO A 26 9.766 -5.873 1.049 1.00 0.00 N ATOM 418 CA PRO A 26 11.122 -5.412 0.722 1.00 0.00 C ATOM 419 C PRO A 26 11.090 -4.302 -0.329 1.00 0.00 C ATOM 420 O PRO A 26 10.176 -4.264 -1.151 1.00 0.00 O ATOM 421 CB PRO A 26 11.805 -6.668 0.165 1.00 0.00 C ATOM 422 CG PRO A 26 11.020 -7.805 0.721 1.00 0.00 C ATOM 423 CD PRO A 26 9.601 -7.319 0.801 1.00 0.00 C ATOM 0 HA PRO A 26 11.641 -4.989 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.793 -6.674 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.849 -6.720 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.097 -8.684 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.391 -8.093 1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.055 -7.512 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.051 -7.807 1.605 1.00 0.00 H new ATOM 431 N GLY A 27 12.095 -3.421 -0.297 1.00 0.00 N ATOM 432 CA GLY A 27 12.128 -2.230 -1.145 1.00 0.00 C ATOM 433 C GLY A 27 11.677 -2.451 -2.585 1.00 0.00 C ATOM 434 O GLY A 27 10.897 -1.657 -3.113 1.00 0.00 O ATOM 0 H GLY A 27 12.905 -3.515 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.495 -1.465 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.145 -1.838 -1.155 1.00 0.00 H new ATOM 438 N GLU A 28 12.161 -3.518 -3.221 1.00 0.00 N ATOM 439 CA GLU A 28 11.771 -3.833 -4.597 1.00 0.00 C ATOM 440 C GLU A 28 10.251 -3.945 -4.717 1.00 0.00 C ATOM 441 O GLU A 28 9.618 -3.254 -5.519 1.00 0.00 O ATOM 442 CB GLU A 28 12.416 -5.151 -5.052 1.00 0.00 C ATOM 443 CG GLU A 28 12.014 -5.581 -6.451 1.00 0.00 C ATOM 444 CD GLU A 28 11.847 -7.081 -6.578 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.734 -7.583 -6.311 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.821 -7.765 -6.953 1.00 0.00 O ATOM 0 H GLU A 28 12.821 -4.177 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 28 12.120 -3.022 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.500 -5.046 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.146 -5.938 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.079 -5.092 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.768 -5.242 -7.161 1.00 0.00 H new ATOM 453 N LYS A 29 9.681 -4.804 -3.890 1.00 0.00 N ATOM 454 CA LYS A 29 8.249 -5.064 -3.886 1.00 0.00 C ATOM 455 C LYS A 29 7.482 -3.843 -3.388 1.00 0.00 C ATOM 456 O LYS A 29 6.373 -3.553 -3.836 1.00 0.00 O ATOM 457 CB LYS A 29 7.973 -6.263 -2.980 1.00 0.00 C ATOM 458 CG LYS A 29 8.523 -7.583 -3.507 1.00 0.00 C ATOM 459 CD LYS A 29 7.773 -8.045 -4.748 1.00 0.00 C ATOM 460 CE LYS A 29 8.142 -9.468 -5.147 1.00 0.00 C ATOM 461 NZ LYS A 29 7.725 -10.461 -4.121 1.00 0.00 N ATOM 0 H LYS A 29 10.200 -5.344 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 29 7.916 -5.279 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.404 -6.069 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.896 -6.360 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.581 -7.469 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.449 -8.345 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.700 -7.988 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.991 -7.369 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.671 -9.711 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.219 -9.534 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.564 -10.957 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.245 -9.971 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.074 -11.150 -4.549 1.00 0.00 H new ATOM 475 N LEU A 30 8.098 -3.146 -2.462 1.00 0.00 N ATOM 476 CA LEU A 30 7.528 -1.956 -1.847 1.00 0.00 C ATOM 477 C LEU A 30 7.307 -0.837 -2.863 1.00 0.00 C ATOM 478 O LEU A 30 6.258 -0.193 -2.845 1.00 0.00 O ATOM 479 CB LEU A 30 8.470 -1.507 -0.729 1.00 0.00 C ATOM 480 CG LEU A 30 8.060 -0.265 0.043 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.565 -0.263 0.327 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.859 -0.205 1.337 1.00 0.00 C ATOM 0 H LEU A 30 9.022 -3.388 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 30 6.545 -2.194 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.576 -2.329 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.454 -1.330 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 30 8.273 0.619 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.301 0.638 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.016 -0.284 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.306 -1.141 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.573 0.683 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.654 -1.094 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.923 -0.161 1.106 1.00 0.00 H new ATOM 494 N GLY A 31 8.275 -0.631 -3.752 1.00 0.00 N ATOM 495 CA GLY A 31 8.191 0.455 -4.724 1.00 0.00 C ATOM 496 C GLY A 31 6.921 0.418 -5.559 1.00 0.00 C ATOM 497 O GLY A 31 6.460 1.455 -6.038 1.00 0.00 O ATOM 0 H GLY A 31 9.121 -1.197 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.244 1.408 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.055 0.408 -5.387 1.00 0.00 H new ATOM 501 N ARG A 32 6.350 -0.768 -5.726 1.00 0.00 N ATOM 502 CA ARG A 32 5.097 -0.913 -6.456 1.00 0.00 C ATOM 503 C ARG A 32 3.952 -0.230 -5.717 1.00 0.00 C ATOM 504 O ARG A 32 3.200 0.531 -6.312 1.00 0.00 O ATOM 505 CB ARG A 32 4.763 -2.389 -6.661 1.00 0.00 C ATOM 506 CG ARG A 32 3.423 -2.631 -7.351 1.00 0.00 C ATOM 507 CD ARG A 32 3.410 -2.054 -8.763 1.00 0.00 C ATOM 508 NE ARG A 32 4.451 -2.635 -9.610 1.00 0.00 N ATOM 509 CZ ARG A 32 4.765 -2.179 -10.823 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.099 -1.157 -11.347 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.744 -2.747 -11.516 1.00 0.00 N ATOM 0 H ARG A 32 6.734 -1.642 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 32 5.223 -0.435 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.553 -2.851 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.757 -2.888 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.222 -3.701 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.623 -2.179 -6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.435 -2.231 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.546 -0.974 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 32 4.968 -3.438 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.344 -0.717 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.343 -0.812 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.258 -3.534 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.982 -2.396 -12.444 1.00 0.00 H new ATOM 525 N VAL A 33 3.834 -0.489 -4.420 1.00 0.00 N ATOM 526 CA VAL A 33 2.706 0.019 -3.641 1.00 0.00 C ATOM 527 C VAL A 33 2.740 1.529 -3.564 1.00 0.00 C ATOM 528 O VAL A 33 1.735 2.182 -3.826 1.00 0.00 O ATOM 529 CB VAL A 33 2.663 -0.559 -2.214 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.230 -0.859 -1.830 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.518 -1.805 -2.088 1.00 0.00 C ATOM 0 H VAL A 33 4.501 -1.045 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 33 1.806 -0.305 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 33 3.073 0.186 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.202 -1.268 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.644 0.059 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.811 -1.585 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.462 -2.183 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.155 -2.567 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.553 -1.562 -2.328 1.00 0.00 H new ATOM 541 N VAL A 34 3.902 2.078 -3.229 1.00 0.00 N ATOM 542 CA VAL A 34 4.086 3.532 -3.217 1.00 0.00 C ATOM 543 C VAL A 34 3.612 4.119 -4.543 1.00 0.00 C ATOM 544 O VAL A 34 2.974 5.175 -4.585 1.00 0.00 O ATOM 545 CB VAL A 34 5.570 3.925 -2.947 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.447 2.703 -2.968 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.097 4.949 -3.948 1.00 0.00 C ATOM 0 H VAL A 34 4.730 1.545 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 34 3.489 3.943 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 34 5.598 4.386 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.480 2.993 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.118 2.006 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.379 2.223 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.135 5.187 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.038 4.537 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.495 5.856 -3.891 1.00 0.00 H new ATOM 557 N HIS A 35 3.904 3.396 -5.612 1.00 0.00 N ATOM 558 CA HIS A 35 3.495 3.792 -6.948 1.00 0.00 C ATOM 559 C HIS A 35 1.981 3.642 -7.127 1.00 0.00 C ATOM 560 O HIS A 35 1.339 4.510 -7.713 1.00 0.00 O ATOM 561 CB HIS A 35 4.242 2.954 -7.988 1.00 0.00 C ATOM 562 CG HIS A 35 4.186 3.516 -9.376 1.00 0.00 C ATOM 563 ND1 HIS A 35 5.170 4.331 -9.892 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.264 3.378 -10.358 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.855 4.670 -11.128 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.704 4.106 -11.436 1.00 0.00 N ATOM 0 H HIS A 35 4.429 2.522 -5.578 1.00 0.00 H new ATOM 0 HA HIS A 35 3.745 4.843 -7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.285 2.863 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.824 1.947 -7.997 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.352 2.802 -10.304 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.441 5.303 -11.778 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.219 4.196 -12.329 1.00 0.00 H new ATOM 575 N ILE A 36 1.420 2.543 -6.615 1.00 0.00 N ATOM 576 CA ILE A 36 -0.016 2.280 -6.729 1.00 0.00 C ATOM 577 C ILE A 36 -0.836 3.402 -6.091 1.00 0.00 C ATOM 578 O ILE A 36 -1.715 3.971 -6.738 1.00 0.00 O ATOM 579 CB ILE A 36 -0.447 0.928 -6.096 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.323 -0.241 -6.723 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.949 0.727 -6.281 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.187 -1.612 -6.310 1.00 0.00 C ATOM 0 H ILE A 36 1.940 1.820 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.214 2.229 -7.800 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.215 0.955 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.269 -0.157 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.375 -0.158 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.247 -0.222 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.488 1.541 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.187 0.719 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.410 -2.384 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.107 -1.719 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.230 -1.718 -6.609 1.00 0.00 H new ATOM 594 N ILE A 37 -0.541 3.728 -4.834 1.00 0.00 N ATOM 595 CA ILE A 37 -1.311 4.749 -4.122 1.00 0.00 C ATOM 596 C ILE A 37 -1.208 6.097 -4.827 1.00 0.00 C ATOM 597 O ILE A 37 -2.219 6.734 -5.112 1.00 0.00 O ATOM 598 CB ILE A 37 -0.874 4.928 -2.652 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.010 3.624 -1.873 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.730 5.997 -2.001 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.308 3.030 -1.449 1.00 0.00 C ATOM 0 H ILE A 37 0.214 3.308 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.341 4.393 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 37 0.174 5.226 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.619 3.802 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.544 2.899 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.424 6.126 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.605 6.939 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.777 5.696 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.131 2.105 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.912 2.819 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.836 3.736 -0.808 1.00 0.00 H new ATOM 613 N GLN A 38 0.021 6.513 -5.113 1.00 0.00 N ATOM 614 CA GLN A 38 0.276 7.774 -5.812 1.00 0.00 C ATOM 615 C GLN A 38 -0.465 7.834 -7.147 1.00 0.00 C ATOM 616 O GLN A 38 -0.913 8.899 -7.572 1.00 0.00 O ATOM 617 CB GLN A 38 1.779 7.954 -6.051 1.00 0.00 C ATOM 618 CG GLN A 38 2.571 8.311 -4.798 1.00 0.00 C ATOM 619 CD GLN A 38 3.623 9.370 -5.062 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.470 10.208 -5.946 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.697 9.345 -4.291 1.00 0.00 N ATOM 0 H GLN A 38 0.864 5.993 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.093 8.581 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.182 7.033 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.926 8.736 -6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.887 8.667 -4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.052 7.414 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.788 8.633 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.434 10.038 -4.421 1.00 0.00 H new ATOM 630 N SER A 39 -0.594 6.688 -7.798 1.00 0.00 N ATOM 631 CA SER A 39 -1.240 6.616 -9.098 1.00 0.00 C ATOM 632 C SER A 39 -2.764 6.651 -8.968 1.00 0.00 C ATOM 633 O SER A 39 -3.444 7.261 -9.792 1.00 0.00 O ATOM 634 CB SER A 39 -0.795 5.348 -9.832 1.00 0.00 C ATOM 635 OG SER A 39 -1.417 5.230 -11.101 1.00 0.00 O ATOM 0 H SER A 39 -0.258 5.792 -7.445 1.00 0.00 H new ATOM 0 HA SER A 39 -0.938 7.489 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.288 5.361 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.035 4.474 -9.227 1.00 0.00 H new ATOM 0 HG SER A 39 -1.109 4.411 -11.541 1.00 0.00 H new ATOM 641 N ARG A 40 -3.303 6.007 -7.939 1.00 0.00 N ATOM 642 CA ARG A 40 -4.751 5.944 -7.774 1.00 0.00 C ATOM 643 C ARG A 40 -5.281 7.188 -7.071 1.00 0.00 C ATOM 644 O ARG A 40 -6.371 7.667 -7.381 1.00 0.00 O ATOM 645 CB ARG A 40 -5.174 4.702 -6.993 1.00 0.00 C ATOM 646 CG ARG A 40 -4.639 3.396 -7.560 1.00 0.00 C ATOM 647 CD ARG A 40 -5.580 2.245 -7.287 1.00 0.00 C ATOM 648 NE ARG A 40 -6.823 2.338 -8.058 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.570 1.283 -8.402 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.225 0.064 -8.003 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.664 1.450 -9.136 1.00 0.00 N ATOM 0 H ARG A 40 -2.768 5.527 -7.215 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.179 5.890 -8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.836 4.803 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.263 4.655 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.491 3.499 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.664 3.181 -7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.079 1.307 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.818 2.219 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.138 3.263 -8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.389 -0.069 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.796 -0.739 -8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.937 2.385 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.231 0.643 -9.397 1.00 0.00 H new ATOM 665 N GLU A 41 -4.516 7.698 -6.117 1.00 0.00 N ATOM 666 CA GLU A 41 -4.920 8.874 -5.355 1.00 0.00 C ATOM 667 C GLU A 41 -4.177 10.123 -5.831 1.00 0.00 C ATOM 668 O GLU A 41 -3.034 10.361 -5.433 1.00 0.00 O ATOM 669 CB GLU A 41 -4.655 8.663 -3.867 1.00 0.00 C ATOM 670 CG GLU A 41 -5.300 7.414 -3.289 1.00 0.00 C ATOM 671 CD GLU A 41 -6.790 7.326 -3.558 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.454 8.380 -3.655 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.304 6.201 -3.672 1.00 0.00 O ATOM 0 H GLU A 41 -3.609 7.315 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.988 9.020 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.578 8.610 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.017 9.532 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.810 6.535 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.131 7.392 -2.212 1.00 0.00 H new ATOM 680 N PRO A 42 -4.819 10.956 -6.674 1.00 0.00 N ATOM 681 CA PRO A 42 -4.220 12.201 -7.171 1.00 0.00 C ATOM 682 C PRO A 42 -4.058 13.257 -6.077 1.00 0.00 C ATOM 683 O PRO A 42 -3.597 14.362 -6.334 1.00 0.00 O ATOM 684 CB PRO A 42 -5.211 12.709 -8.225 1.00 0.00 C ATOM 685 CG PRO A 42 -6.188 11.606 -8.447 1.00 0.00 C ATOM 686 CD PRO A 42 -6.167 10.746 -7.220 1.00 0.00 C ATOM 0 HA PRO A 42 -3.218 12.017 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.716 13.612 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.696 12.965 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.187 12.005 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.919 11.025 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.938 11.043 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.343 9.698 -7.462 1.00 0.00 H new ATOM 694 N SER A 43 -4.440 12.911 -4.859 1.00 0.00 N ATOM 695 CA SER A 43 -4.368 13.854 -3.743 1.00 0.00 C ATOM 696 C SER A 43 -3.035 13.741 -2.994 1.00 0.00 C ATOM 697 O SER A 43 -2.768 14.520 -2.078 1.00 0.00 O ATOM 698 CB SER A 43 -5.554 13.649 -2.777 1.00 0.00 C ATOM 699 OG SER A 43 -5.391 14.390 -1.579 1.00 0.00 O ATOM 0 H SER A 43 -4.802 11.990 -4.613 1.00 0.00 H new ATOM 0 HA SER A 43 -4.429 14.860 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.479 13.951 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.650 12.590 -2.539 1.00 0.00 H new ATOM 0 HG SER A 43 -4.436 14.518 -1.401 1.00 0.00 H new ATOM 705 N LEU A 44 -2.189 12.786 -3.377 1.00 0.00 N ATOM 706 CA LEU A 44 -0.903 12.628 -2.701 1.00 0.00 C ATOM 707 C LEU A 44 0.236 12.350 -3.674 1.00 0.00 C ATOM 708 O LEU A 44 1.315 11.926 -3.260 1.00 0.00 O ATOM 709 CB LEU A 44 -0.980 11.522 -1.636 1.00 0.00 C ATOM 710 CG LEU A 44 -1.371 10.129 -2.135 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.142 9.255 -2.321 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.354 9.482 -1.171 1.00 0.00 C ATOM 0 H LEU A 44 -2.364 12.124 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.685 13.578 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.009 11.450 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.699 11.828 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.856 10.234 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.446 8.270 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.524 9.714 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.379 9.152 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.624 8.492 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.893 9.392 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.250 10.098 -1.097 1.00 0.00 H new ATOM 724 N LYS A 45 0.024 12.624 -4.957 1.00 0.00 N ATOM 725 CA LYS A 45 1.074 12.382 -5.951 1.00 0.00 C ATOM 726 C LYS A 45 2.172 13.439 -5.852 1.00 0.00 C ATOM 727 O LYS A 45 3.198 13.355 -6.527 1.00 0.00 O ATOM 728 CB LYS A 45 0.516 12.339 -7.383 1.00 0.00 C ATOM 729 CG LYS A 45 0.285 13.683 -8.046 1.00 0.00 C ATOM 730 CD LYS A 45 -0.814 14.488 -7.390 1.00 0.00 C ATOM 731 CE LYS A 45 -0.925 15.845 -8.047 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.459 15.757 -9.434 1.00 0.00 N ATOM 0 H LYS A 45 -0.844 13.006 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 45 1.499 11.403 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.204 11.764 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.429 11.796 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.211 14.257 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.035 13.525 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.763 13.957 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.604 14.606 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.575 16.484 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.057 16.318 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.677 16.712 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.748 15.316 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.325 15.181 -9.437 1.00 0.00 H new ATOM 746 N ASN A 46 1.946 14.432 -5.006 1.00 0.00 N ATOM 747 CA ASN A 46 2.923 15.485 -4.778 1.00 0.00 C ATOM 748 C ASN A 46 3.939 15.049 -3.732 1.00 0.00 C ATOM 749 O ASN A 46 4.946 15.721 -3.509 1.00 0.00 O ATOM 750 CB ASN A 46 2.219 16.763 -4.320 1.00 0.00 C ATOM 751 CG ASN A 46 1.420 16.554 -3.049 1.00 0.00 C ATOM 752 OD1 ASN A 46 0.243 16.199 -3.097 1.00 0.00 O ATOM 753 ND2 ASN A 46 2.058 16.750 -1.910 1.00 0.00 N ATOM 0 H ASN A 46 1.088 14.531 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 46 3.447 15.682 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.960 17.545 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.555 17.113 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.574 16.607 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.035 17.044 -1.917 1.00 0.00 H new ATOM 760 N SER A 47 3.664 13.922 -3.087 1.00 0.00 N ATOM 761 CA SER A 47 4.550 13.394 -2.065 1.00 0.00 C ATOM 762 C SER A 47 5.824 12.858 -2.712 1.00 0.00 C ATOM 763 O SER A 47 5.754 12.138 -3.712 1.00 0.00 O ATOM 764 CB SER A 47 3.846 12.277 -1.288 1.00 0.00 C ATOM 765 OG SER A 47 2.545 12.676 -0.888 1.00 0.00 O ATOM 0 H SER A 47 2.832 13.357 -3.256 1.00 0.00 H new ATOM 0 HA SER A 47 4.812 14.194 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.781 11.383 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.435 12.013 -0.410 1.00 0.00 H new ATOM 0 HG SER A 47 1.910 12.496 -1.613 1.00 0.00 H new ATOM 771 N ASN A 48 6.980 13.221 -2.156 1.00 0.00 N ATOM 772 CA ASN A 48 8.259 12.734 -2.666 1.00 0.00 C ATOM 773 C ASN A 48 8.246 11.217 -2.645 1.00 0.00 C ATOM 774 O ASN A 48 7.890 10.615 -1.635 1.00 0.00 O ATOM 775 CB ASN A 48 9.424 13.237 -1.804 1.00 0.00 C ATOM 776 CG ASN A 48 9.447 14.740 -1.643 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.010 15.486 -2.521 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.961 15.194 -0.512 1.00 0.00 N ATOM 0 H ASN A 48 7.056 13.848 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 48 8.396 13.106 -3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.363 12.774 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.364 12.913 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.007 16.198 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.311 14.540 0.188 1.00 0.00 H new ATOM 785 N PRO A 49 8.629 10.574 -3.762 1.00 0.00 N ATOM 786 CA PRO A 49 8.543 9.119 -3.905 1.00 0.00 C ATOM 787 C PRO A 49 9.332 8.375 -2.837 1.00 0.00 C ATOM 788 O PRO A 49 9.020 7.233 -2.520 1.00 0.00 O ATOM 789 CB PRO A 49 9.115 8.836 -5.297 1.00 0.00 C ATOM 790 CG PRO A 49 9.845 10.076 -5.691 1.00 0.00 C ATOM 791 CD PRO A 49 9.178 11.213 -4.972 1.00 0.00 C ATOM 0 HA PRO A 49 7.516 8.773 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.785 7.976 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.321 8.606 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.898 10.009 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.805 10.223 -6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.887 12.003 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.394 11.667 -5.578 1.00 0.00 H new ATOM 799 N ASP A 50 10.332 9.031 -2.269 1.00 0.00 N ATOM 800 CA ASP A 50 11.152 8.429 -1.226 1.00 0.00 C ATOM 801 C ASP A 50 10.475 8.541 0.140 1.00 0.00 C ATOM 802 O ASP A 50 10.670 7.696 1.006 1.00 0.00 O ATOM 803 CB ASP A 50 12.526 9.096 -1.169 1.00 0.00 C ATOM 804 CG ASP A 50 13.352 8.881 -2.422 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.875 9.219 -3.526 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.494 8.389 -2.305 1.00 0.00 O ATOM 0 H ASP A 50 10.597 9.985 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 50 11.274 7.374 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.396 10.166 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.074 8.709 -0.310 1.00 0.00 H new ATOM 811 N GLU A 51 9.654 9.570 0.305 1.00 0.00 N ATOM 812 CA GLU A 51 9.003 9.864 1.581 1.00 0.00 C ATOM 813 C GLU A 51 7.526 10.129 1.358 1.00 0.00 C ATOM 814 O GLU A 51 7.006 11.179 1.736 1.00 0.00 O ATOM 815 CB GLU A 51 9.637 11.094 2.236 1.00 0.00 C ATOM 816 CG GLU A 51 10.436 10.778 3.482 1.00 0.00 C ATOM 817 CD GLU A 51 11.082 12.009 4.079 1.00 0.00 C ATOM 818 OE1 GLU A 51 12.196 12.368 3.641 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.486 12.620 4.989 1.00 0.00 O ATOM 0 H GLU A 51 9.419 10.226 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 51 9.130 9.003 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.288 11.584 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.851 11.805 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.782 10.318 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.207 10.047 3.240 1.00 0.00 H new ATOM 826 N ILE A 52 6.852 9.171 0.750 1.00 0.00 N ATOM 827 CA ILE A 52 5.478 9.375 0.322 1.00 0.00 C ATOM 828 C ILE A 52 4.540 9.478 1.520 1.00 0.00 C ATOM 829 O ILE A 52 4.854 8.994 2.609 1.00 0.00 O ATOM 830 CB ILE A 52 5.002 8.250 -0.620 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.544 7.041 0.164 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.120 7.833 -1.555 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.694 6.105 -0.657 1.00 0.00 C ATOM 0 H ILE A 52 7.230 8.247 0.541 1.00 0.00 H new ATOM 0 HA ILE A 52 5.453 10.316 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 52 4.164 8.640 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.416 6.502 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.977 7.371 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.767 7.039 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.431 8.689 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.967 7.472 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.393 5.255 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.806 6.632 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.267 5.750 -1.514 1.00 0.00 H new ATOM 845 N GLU A 53 3.408 10.136 1.323 1.00 0.00 N ATOM 846 CA GLU A 53 2.417 10.263 2.372 1.00 0.00 C ATOM 847 C GLU A 53 1.138 9.550 1.961 1.00 0.00 C ATOM 848 O GLU A 53 0.506 9.919 0.972 1.00 0.00 O ATOM 849 CB GLU A 53 2.109 11.736 2.650 1.00 0.00 C ATOM 850 CG GLU A 53 1.349 11.977 3.951 1.00 0.00 C ATOM 851 CD GLU A 53 1.926 11.209 5.126 1.00 0.00 C ATOM 852 OE1 GLU A 53 1.644 10.002 5.256 1.00 0.00 O ATOM 853 OE2 GLU A 53 2.669 11.819 5.924 1.00 0.00 O ATOM 0 H GLU A 53 3.156 10.589 0.445 1.00 0.00 H new ATOM 0 HA GLU A 53 2.817 9.810 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.046 12.293 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.526 12.137 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.360 13.043 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.306 11.691 3.814 1.00 0.00 H new ATOM 860 N ILE A 54 0.761 8.536 2.711 1.00 0.00 N ATOM 861 CA ILE A 54 -0.462 7.804 2.425 1.00 0.00 C ATOM 862 C ILE A 54 -1.515 8.132 3.465 1.00 0.00 C ATOM 863 O ILE A 54 -1.231 8.125 4.660 1.00 0.00 O ATOM 864 CB ILE A 54 -0.233 6.283 2.410 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.813 5.904 1.369 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.537 5.564 2.110 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.221 4.452 1.433 1.00 0.00 C ATOM 0 H ILE A 54 1.280 8.198 3.522 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.797 8.109 1.434 1.00 0.00 H new ATOM 0 HB ILE A 54 0.129 5.982 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.421 6.121 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.696 6.529 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.365 4.488 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.272 5.808 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.911 5.880 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.968 4.250 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.642 4.235 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.348 3.821 1.265 1.00 0.00 H new ATOM 879 N ASP A 55 -2.728 8.415 3.017 1.00 0.00 N ATOM 880 CA ASP A 55 -3.798 8.744 3.940 1.00 0.00 C ATOM 881 C ASP A 55 -4.859 7.665 3.874 1.00 0.00 C ATOM 882 O ASP A 55 -5.810 7.757 3.099 1.00 0.00 O ATOM 883 CB ASP A 55 -4.402 10.106 3.614 1.00 0.00 C ATOM 884 CG ASP A 55 -5.093 10.718 4.810 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.254 10.358 5.087 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.466 11.562 5.488 1.00 0.00 O ATOM 0 H ASP A 55 -2.993 8.423 2.032 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.392 8.796 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.617 10.777 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.116 10.000 2.797 1.00 0.00 H new ATOM 891 N PHE A 56 -4.695 6.651 4.706 1.00 0.00 N ATOM 892 CA PHE A 56 -5.480 5.427 4.611 1.00 0.00 C ATOM 893 C PHE A 56 -6.970 5.643 4.852 1.00 0.00 C ATOM 894 O PHE A 56 -7.771 4.737 4.642 1.00 0.00 O ATOM 895 CB PHE A 56 -4.932 4.378 5.571 1.00 0.00 C ATOM 896 CG PHE A 56 -4.079 3.367 4.876 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.722 3.572 4.701 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.647 2.222 4.366 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.954 2.641 4.025 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.891 1.292 3.698 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.544 1.496 3.523 1.00 0.00 C ATOM 0 H PHE A 56 -4.015 6.650 5.467 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.385 5.074 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.348 4.870 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.761 3.873 6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.259 4.465 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.706 2.053 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.896 2.808 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.356 0.398 3.309 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.949 0.765 2.996 1.00 0.00 H new ATOM 911 N GLU A 57 -7.346 6.838 5.272 1.00 0.00 N ATOM 912 CA GLU A 57 -8.738 7.142 5.522 1.00 0.00 C ATOM 913 C GLU A 57 -9.401 7.734 4.284 1.00 0.00 C ATOM 914 O GLU A 57 -10.627 7.793 4.190 1.00 0.00 O ATOM 915 CB GLU A 57 -8.834 8.109 6.692 1.00 0.00 C ATOM 916 CG GLU A 57 -8.231 7.561 7.975 1.00 0.00 C ATOM 917 CD GLU A 57 -8.986 6.371 8.539 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.784 5.745 7.808 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.782 6.059 9.730 1.00 0.00 O ATOM 0 H GLU A 57 -6.705 7.612 5.446 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.264 6.219 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.329 9.038 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.882 8.354 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.198 7.269 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.207 8.353 8.723 1.00 0.00 H new ATOM 926 N THR A 58 -8.587 8.143 3.325 1.00 0.00 N ATOM 927 CA THR A 58 -9.093 8.827 2.143 1.00 0.00 C ATOM 928 C THR A 58 -8.766 8.077 0.856 1.00 0.00 C ATOM 929 O THR A 58 -9.137 8.518 -0.235 1.00 0.00 O ATOM 930 CB THR A 58 -8.534 10.254 2.060 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.105 10.224 2.097 1.00 0.00 O ATOM 932 CG2 THR A 58 -9.043 11.081 3.220 1.00 0.00 C ATOM 0 H THR A 58 -7.575 8.015 3.340 1.00 0.00 H new ATOM 0 HA THR A 58 -10.178 8.864 2.244 1.00 0.00 H new ATOM 0 HB THR A 58 -8.865 10.701 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.767 11.095 2.392 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.640 12.091 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.132 11.122 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.724 10.627 4.158 1.00 0.00 H new ATOM 940 N LEU A 59 -8.062 6.957 0.971 1.00 0.00 N ATOM 941 CA LEU A 59 -7.791 6.123 -0.200 1.00 0.00 C ATOM 942 C LEU A 59 -9.089 5.471 -0.654 1.00 0.00 C ATOM 943 O LEU A 59 -9.936 5.118 0.173 1.00 0.00 O ATOM 944 CB LEU A 59 -6.768 5.014 0.091 1.00 0.00 C ATOM 945 CG LEU A 59 -5.592 5.390 0.992 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.643 4.210 1.139 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.866 6.615 0.453 1.00 0.00 C ATOM 0 H LEU A 59 -7.673 6.607 1.847 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.375 6.771 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.294 4.176 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.370 4.659 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.978 5.643 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.810 4.491 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.175 3.368 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.263 3.924 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.033 6.863 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.488 6.403 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.557 7.457 0.409 1.00 0.00 H new ATOM 959 N LYS A 60 -9.249 5.328 -1.958 1.00 0.00 N ATOM 960 CA LYS A 60 -10.399 4.634 -2.515 1.00 0.00 C ATOM 961 C LYS A 60 -10.399 3.180 -2.051 1.00 0.00 C ATOM 962 O LYS A 60 -9.337 2.581 -1.856 1.00 0.00 O ATOM 963 CB LYS A 60 -10.345 4.690 -4.044 1.00 0.00 C ATOM 964 CG LYS A 60 -10.278 6.099 -4.607 1.00 0.00 C ATOM 965 CD LYS A 60 -10.247 6.093 -6.126 1.00 0.00 C ATOM 966 CE LYS A 60 -10.068 7.497 -6.676 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.779 8.104 -6.247 1.00 0.00 N ATOM 0 H LYS A 60 -8.594 5.685 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.312 5.119 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.475 4.130 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.225 4.190 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.140 6.671 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.389 6.602 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.433 5.457 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.173 5.664 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.110 7.468 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.894 8.125 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.682 9.048 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.762 8.187 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.991 7.501 -6.559 1.00 0.00 H new ATOM 981 N PRO A 61 -11.594 2.594 -1.859 1.00 0.00 N ATOM 982 CA PRO A 61 -11.730 1.190 -1.451 1.00 0.00 C ATOM 983 C PRO A 61 -11.044 0.248 -2.433 1.00 0.00 C ATOM 984 O PRO A 61 -10.589 -0.835 -2.064 1.00 0.00 O ATOM 985 CB PRO A 61 -13.241 0.944 -1.453 1.00 0.00 C ATOM 986 CG PRO A 61 -13.879 2.295 -1.404 1.00 0.00 C ATOM 987 CD PRO A 61 -12.900 3.261 -2.018 1.00 0.00 C ATOM 0 HA PRO A 61 -11.264 1.004 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.547 0.401 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.539 0.340 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.821 2.298 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.108 2.577 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.128 3.447 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.920 4.226 -1.511 1.00 0.00 H new ATOM 995 N SER A 62 -10.963 0.684 -3.680 1.00 0.00 N ATOM 996 CA SER A 62 -10.305 -0.084 -4.720 1.00 0.00 C ATOM 997 C SER A 62 -8.795 -0.015 -4.544 1.00 0.00 C ATOM 998 O SER A 62 -8.089 -1.009 -4.721 1.00 0.00 O ATOM 999 CB SER A 62 -10.706 0.455 -6.090 1.00 0.00 C ATOM 1000 OG SER A 62 -10.567 1.866 -6.129 1.00 0.00 O ATOM 0 H SER A 62 -11.349 1.574 -3.996 1.00 0.00 H new ATOM 0 HA SER A 62 -10.615 -1.126 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.085 0.001 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.738 0.179 -6.308 1.00 0.00 H new ATOM 0 HG SER A 62 -10.826 2.196 -7.015 1.00 0.00 H new ATOM 1006 N THR A 63 -8.308 1.170 -4.185 1.00 0.00 N ATOM 1007 CA THR A 63 -6.897 1.369 -3.899 1.00 0.00 C ATOM 1008 C THR A 63 -6.469 0.441 -2.773 1.00 0.00 C ATOM 1009 O THR A 63 -5.507 -0.305 -2.914 1.00 0.00 O ATOM 1010 CB THR A 63 -6.595 2.838 -3.514 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.330 3.712 -4.380 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.111 3.140 -3.650 1.00 0.00 C ATOM 0 H THR A 63 -8.878 2.010 -4.086 1.00 0.00 H new ATOM 0 HA THR A 63 -6.333 1.139 -4.803 1.00 0.00 H new ATOM 0 HB THR A 63 -6.890 2.993 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.449 4.581 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.924 4.178 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.544 2.482 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.800 2.977 -4.682 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.228 0.456 -1.683 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.944 -0.389 -0.526 1.00 0.00 C ATOM 1022 C LEU A 64 -6.878 -1.860 -0.908 1.00 0.00 C ATOM 1023 O LEU A 64 -5.986 -2.581 -0.475 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.009 -0.185 0.556 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.958 1.162 1.276 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.153 1.336 2.199 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.677 1.279 2.070 1.00 0.00 C ATOM 0 H LEU A 64 -8.051 1.049 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.969 -0.095 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.993 -0.298 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.908 -0.978 1.297 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.990 1.948 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.090 2.303 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.073 1.288 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.154 0.542 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.651 2.243 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.632 0.478 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.823 1.201 1.397 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.797 -2.299 -1.747 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.856 -3.703 -2.119 1.00 0.00 C ATOM 1041 C ARG A 65 -6.785 -4.036 -3.145 1.00 0.00 C ATOM 1042 O ARG A 65 -6.420 -5.196 -3.304 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.248 -4.074 -2.637 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.160 -4.694 -1.577 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.570 -5.959 -0.967 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.446 -6.515 0.063 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.375 -7.767 0.511 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.492 -8.613 -0.005 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.194 -8.177 1.472 1.00 0.00 N ATOM 0 H ARG A 65 -8.508 -1.711 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.663 -4.298 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.727 -3.180 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.142 -4.775 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.342 -3.965 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.126 -4.927 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.410 -6.701 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.595 -5.735 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.158 -5.904 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.864 -8.305 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.441 -9.571 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.879 -7.533 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.139 -9.136 1.814 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.260 -3.021 -3.816 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.175 -3.224 -4.747 1.00 0.00 C ATOM 1065 C GLU A 66 -3.867 -3.300 -3.972 1.00 0.00 C ATOM 1066 O GLU A 66 -2.989 -4.108 -4.277 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.155 -2.087 -5.770 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.019 -2.163 -6.779 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.154 -3.355 -7.711 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.664 -4.450 -7.371 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.765 -3.205 -8.790 1.00 0.00 O ATOM 0 H GLU A 66 -6.571 -2.054 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.311 -4.159 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.102 -2.084 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.088 -1.138 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.997 -1.246 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.069 -2.225 -6.249 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.777 -2.481 -2.930 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.616 -2.451 -2.068 1.00 0.00 C ATOM 1080 C LEU A 67 -2.541 -3.760 -1.296 1.00 0.00 C ATOM 1081 O LEU A 67 -1.533 -4.462 -1.325 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.735 -1.271 -1.091 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.976 0.094 -1.738 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.086 1.174 -0.673 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.875 0.425 -2.725 1.00 0.00 C ATOM 0 H LEU A 67 -4.509 -1.822 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.712 -2.328 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.552 -1.475 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.821 -1.218 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.918 0.052 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.257 2.139 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.918 0.945 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.161 1.213 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.068 1.400 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.916 0.447 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.847 -0.334 -3.507 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.654 -4.098 -0.650 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.736 -5.288 0.190 1.00 0.00 C ATOM 1099 C GLU A 68 -3.521 -6.557 -0.626 1.00 0.00 C ATOM 1100 O GLU A 68 -2.688 -7.390 -0.275 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.093 -5.378 0.890 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.154 -6.507 1.900 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.505 -7.180 1.954 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.378 -6.726 2.720 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.691 -8.186 1.236 1.00 0.00 O ATOM 0 H GLU A 68 -4.519 -3.558 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.947 -5.201 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.302 -4.434 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.874 -5.521 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.395 -7.249 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.909 -6.117 2.888 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.288 -6.713 -1.706 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.164 -7.905 -2.553 1.00 0.00 C ATOM 1114 C ARG A 69 -2.735 -8.102 -3.032 1.00 0.00 C ATOM 1115 O ARG A 69 -2.237 -9.229 -3.096 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.085 -7.835 -3.768 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.939 -9.022 -4.707 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.874 -8.879 -5.888 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.601 -7.658 -6.652 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.440 -7.132 -7.546 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.549 -7.780 -7.882 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.158 -5.968 -8.121 1.00 0.00 N ATOM 0 H ARG A 69 -4.992 -6.042 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.457 -8.752 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.119 -7.776 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.878 -6.918 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.909 -9.092 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.158 -9.946 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.772 -9.747 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.905 -8.865 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.714 -7.181 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.761 -8.682 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.189 -7.376 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.299 -5.475 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.801 -5.568 -8.804 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.077 -7.007 -3.348 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.735 -7.071 -3.890 1.00 0.00 C ATOM 1138 C TYR A 70 0.263 -7.473 -2.814 1.00 0.00 C ATOM 1139 O TYR A 70 1.133 -8.308 -3.043 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.346 -5.729 -4.505 1.00 0.00 C ATOM 1141 CG TYR A 70 1.124 -5.613 -4.794 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.690 -6.190 -5.923 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.946 -4.932 -3.918 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.043 -6.087 -6.167 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.299 -4.825 -4.152 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.844 -5.405 -5.279 1.00 0.00 C ATOM 1147 OH TYR A 70 5.195 -5.307 -5.515 1.00 0.00 O ATOM 0 H TYR A 70 -2.448 -6.063 -3.240 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.717 -7.830 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.904 -5.586 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.641 -4.927 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.062 -6.726 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.521 -4.476 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.472 -6.539 -7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.930 -4.290 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 70 5.614 -4.780 -4.803 1.00 0.00 H new ATOM 1157 N VAL A 71 0.136 -6.886 -1.640 1.00 0.00 N ATOM 1158 CA VAL A 71 1.063 -7.181 -0.564 1.00 0.00 C ATOM 1159 C VAL A 71 0.836 -8.578 -0.008 1.00 0.00 C ATOM 1160 O VAL A 71 1.789 -9.316 0.207 1.00 0.00 O ATOM 1161 CB VAL A 71 0.976 -6.152 0.568 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.294 -4.766 0.053 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.380 -6.169 1.229 1.00 0.00 C ATOM 0 H VAL A 71 -0.591 -6.209 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 71 2.064 -7.129 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 71 1.717 -6.426 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.227 -4.049 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.303 -4.753 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.581 -4.495 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.405 -5.427 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.147 -5.935 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.568 -7.158 1.647 1.00 0.00 H new ATOM 1173 N THR A 72 -0.425 -8.948 0.201 1.00 0.00 N ATOM 1174 CA THR A 72 -0.758 -10.265 0.720 1.00 0.00 C ATOM 1175 C THR A 72 -0.256 -11.350 -0.234 1.00 0.00 C ATOM 1176 O THR A 72 0.117 -12.441 0.195 1.00 0.00 O ATOM 1177 CB THR A 72 -2.281 -10.412 0.974 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.546 -11.558 1.795 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.049 -10.548 -0.324 1.00 0.00 C ATOM 0 H THR A 72 -1.231 -8.351 0.018 1.00 0.00 H new ATOM 0 HA THR A 72 -0.258 -10.384 1.681 1.00 0.00 H new ATOM 0 HB THR A 72 -2.611 -9.508 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.511 -11.635 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.113 -10.649 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.886 -9.662 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.702 -11.431 -0.861 1.00 0.00 H new ATOM 1187 N SER A 73 -0.212 -11.028 -1.527 1.00 0.00 N ATOM 1188 CA SER A 73 0.345 -11.942 -2.518 1.00 0.00 C ATOM 1189 C SER A 73 1.840 -12.155 -2.261 1.00 0.00 C ATOM 1190 O SER A 73 2.393 -13.209 -2.565 1.00 0.00 O ATOM 1191 CB SER A 73 0.125 -11.401 -3.938 1.00 0.00 C ATOM 1192 OG SER A 73 1.167 -10.525 -4.339 1.00 0.00 O ATOM 0 H SER A 73 -0.554 -10.146 -1.909 1.00 0.00 H new ATOM 0 HA SER A 73 -0.169 -12.899 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.062 -12.234 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.829 -10.875 -3.982 1.00 0.00 H new ATOM 0 HG SER A 73 1.365 -9.898 -3.612 1.00 0.00 H new ATOM 1198 N CYS A 74 2.479 -11.140 -1.691 1.00 0.00 N ATOM 1199 CA CYS A 74 3.911 -11.166 -1.431 1.00 0.00 C ATOM 1200 C CYS A 74 4.217 -11.748 -0.049 1.00 0.00 C ATOM 1201 O CYS A 74 5.062 -12.630 0.085 1.00 0.00 O ATOM 1202 CB CYS A 74 4.481 -9.750 -1.548 1.00 0.00 C ATOM 1203 SG CYS A 74 6.269 -9.642 -1.303 1.00 0.00 S ATOM 0 H CYS A 74 2.019 -10.278 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 74 4.382 -11.810 -2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.237 -9.354 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.987 -9.111 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 74 6.684 -10.697 -0.668 1.00 0.00 H new ATOM 1209 N LEU A 75 3.537 -11.240 0.979 1.00 0.00 N ATOM 1210 CA LEU A 75 3.703 -11.730 2.349 1.00 0.00 C ATOM 1211 C LEU A 75 3.503 -13.243 2.422 1.00 0.00 C ATOM 1212 O LEU A 75 4.148 -13.928 3.215 1.00 0.00 O ATOM 1213 CB LEU A 75 2.695 -11.051 3.284 1.00 0.00 C ATOM 1214 CG LEU A 75 2.421 -9.585 2.997 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.227 -9.120 3.798 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.642 -8.753 3.328 1.00 0.00 C ATOM 0 H LEU A 75 2.860 -10.483 0.888 1.00 0.00 H new ATOM 0 HA LEU A 75 4.719 -11.490 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.752 -11.596 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.058 -11.141 4.308 1.00 0.00 H new ATOM 0 HG LEU A 75 2.199 -9.463 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.035 -8.068 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.353 -9.710 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.431 -9.246 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.435 -7.704 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.887 -8.871 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.484 -9.085 2.721 1.00 0.00 H new ATOM 1228 N ARG A 76 2.611 -13.757 1.584 1.00 0.00 N ATOM 1229 CA ARG A 76 2.252 -15.168 1.618 1.00 0.00 C ATOM 1230 C ARG A 76 2.967 -15.972 0.534 1.00 0.00 C ATOM 1231 O ARG A 76 2.679 -17.154 0.330 1.00 0.00 O ATOM 1232 CB ARG A 76 0.740 -15.308 1.478 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.016 -14.787 2.683 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.436 -14.418 2.319 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.154 -15.517 1.681 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.189 -15.346 0.862 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.636 -14.123 0.600 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.773 -16.397 0.309 1.00 0.00 N ATOM 0 H ARG A 76 2.122 -13.216 0.871 1.00 0.00 H new ATOM 0 HA ARG A 76 2.574 -15.575 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.411 -14.770 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.490 -16.358 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.024 -15.545 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.497 -13.915 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.971 -14.113 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.424 -13.559 1.649 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.845 -16.470 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.186 -13.313 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.429 -13.994 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.430 -17.336 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.566 -16.268 -0.319 1.00 0.00 H new ATOM 1252 N LYS A 77 3.895 -15.329 -0.160 1.00 0.00 N ATOM 1253 CA LYS A 77 4.714 -15.999 -1.170 1.00 0.00 C ATOM 1254 C LYS A 77 6.147 -15.485 -1.122 1.00 0.00 C ATOM 1255 O LYS A 77 6.421 -14.361 -1.545 1.00 0.00 O ATOM 1256 CB LYS A 77 4.143 -15.786 -2.570 1.00 0.00 C ATOM 1257 CG LYS A 77 2.967 -16.689 -2.890 1.00 0.00 C ATOM 1258 CD LYS A 77 2.291 -16.279 -4.189 1.00 0.00 C ATOM 1259 CE LYS A 77 1.165 -17.228 -4.568 1.00 0.00 C ATOM 1260 NZ LYS A 77 1.653 -18.617 -4.789 1.00 0.00 N ATOM 0 H LYS A 77 4.103 -14.337 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 77 4.706 -17.066 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.831 -14.747 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.931 -15.955 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.309 -17.721 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.245 -16.651 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.895 -15.268 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.030 -16.254 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.412 -17.230 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.677 -16.867 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.909 -19.177 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.499 -18.596 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.892 -19.050 -3.874 1.00 0.00 H new ATOM 1274 N LYS A 78 7.066 -16.299 -0.622 1.00 0.00 N ATOM 1275 CA LYS A 78 8.439 -15.854 -0.470 1.00 0.00 C ATOM 1276 C LYS A 78 9.196 -15.938 -1.781 1.00 0.00 C ATOM 1277 O LYS A 78 9.178 -16.962 -2.469 1.00 0.00 O ATOM 1278 CB LYS A 78 9.181 -16.641 0.611 1.00 0.00 C ATOM 1279 CG LYS A 78 8.957 -16.115 2.020 1.00 0.00 C ATOM 1280 CD LYS A 78 7.506 -16.231 2.457 1.00 0.00 C ATOM 1281 CE LYS A 78 7.284 -15.613 3.828 1.00 0.00 C ATOM 1282 NZ LYS A 78 8.117 -16.261 4.877 1.00 0.00 N ATOM 0 H LYS A 78 6.888 -17.257 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 78 8.393 -14.811 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.866 -17.683 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.249 -16.622 0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.589 -16.667 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.266 -15.071 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.865 -15.738 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.215 -17.281 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.517 -14.549 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.231 -15.699 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.814 -15.929 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.004 -17.293 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.116 -16.014 4.728 1.00 0.00 H new ATOM 1296 N ARG A 79 9.853 -14.846 -2.109 1.00 0.00 N ATOM 1297 CA ARG A 79 10.659 -14.742 -3.309 1.00 0.00 C ATOM 1298 C ARG A 79 11.710 -13.672 -3.083 1.00 0.00 C ATOM 1299 O ARG A 79 11.374 -12.499 -2.920 1.00 0.00 O ATOM 1300 CB ARG A 79 9.776 -14.417 -4.529 1.00 0.00 C ATOM 1301 CG ARG A 79 10.539 -14.199 -5.836 1.00 0.00 C ATOM 1302 CD ARG A 79 10.960 -12.746 -6.000 1.00 0.00 C ATOM 1303 NE ARG A 79 11.668 -12.496 -7.254 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.097 -11.290 -7.627 1.00 0.00 C ATOM 1305 NH1 ARG A 79 11.904 -10.248 -6.827 1.00 0.00 N ATOM 1306 NH2 ARG A 79 12.720 -11.129 -8.787 1.00 0.00 N ATOM 0 H ARG A 79 9.843 -13.996 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 79 11.150 -15.693 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.065 -15.231 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.195 -13.521 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.421 -14.839 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.913 -14.495 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.076 -12.110 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.600 -12.462 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 79 11.843 -13.285 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.430 -10.373 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.230 -9.323 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.873 -11.930 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.046 -10.204 -9.067 1.00 0.00 H new ATOM 1320 N LYS A 80 12.969 -14.100 -3.026 1.00 0.00 N ATOM 1321 CA LYS A 80 14.101 -13.185 -2.816 1.00 0.00 C ATOM 1322 C LYS A 80 13.983 -11.938 -3.711 1.00 0.00 C ATOM 1323 O LYS A 80 13.992 -12.060 -4.939 1.00 0.00 O ATOM 1324 CB LYS A 80 15.451 -13.886 -3.082 1.00 0.00 C ATOM 1325 CG LYS A 80 15.627 -14.456 -4.490 1.00 0.00 C ATOM 1326 CD LYS A 80 14.998 -15.835 -4.647 1.00 0.00 C ATOM 1327 CE LYS A 80 15.665 -16.867 -3.749 1.00 0.00 C ATOM 1328 NZ LYS A 80 17.125 -16.987 -4.014 1.00 0.00 N ATOM 0 H LYS A 80 13.237 -15.079 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 80 14.069 -12.875 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.254 -13.174 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.568 -14.697 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.181 -13.773 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.690 -14.517 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.936 -15.779 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.076 -16.154 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.509 -16.593 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.190 -17.837 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.490 -17.849 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.289 -17.039 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.618 -16.157 -3.626 1.00 0.00 H new ATOM 1342 N PRO A 81 13.814 -10.725 -3.129 1.00 0.00 N ATOM 1343 CA PRO A 81 13.800 -9.480 -3.913 1.00 0.00 C ATOM 1344 C PRO A 81 15.163 -9.180 -4.537 1.00 0.00 C ATOM 1345 O PRO A 81 15.901 -8.304 -4.077 1.00 0.00 O ATOM 1346 CB PRO A 81 13.430 -8.407 -2.887 1.00 0.00 C ATOM 1347 CG PRO A 81 13.843 -8.983 -1.581 1.00 0.00 C ATOM 1348 CD PRO A 81 13.580 -10.455 -1.689 1.00 0.00 C ATOM 0 HA PRO A 81 13.105 -9.534 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.948 -7.469 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.362 -8.191 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.896 -8.787 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.276 -8.542 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.251 -11.034 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.563 -10.707 -1.390 1.00 0.00 H new ATOM 1356 N GLN A 82 15.489 -9.923 -5.581 1.00 0.00 N ATOM 1357 CA GLN A 82 16.765 -9.785 -6.261 1.00 0.00 C ATOM 1358 C GLN A 82 16.720 -8.626 -7.254 1.00 0.00 C ATOM 1359 O GLN A 82 16.545 -8.821 -8.462 1.00 0.00 O ATOM 1360 CB GLN A 82 17.112 -11.095 -6.970 1.00 0.00 C ATOM 1361 CG GLN A 82 18.460 -11.088 -7.671 1.00 0.00 C ATOM 1362 CD GLN A 82 18.700 -12.357 -8.459 1.00 0.00 C ATOM 1363 OE1 GLN A 82 18.230 -13.434 -8.089 1.00 0.00 O ATOM 1364 NE2 GLN A 82 19.415 -12.239 -9.561 1.00 0.00 N ATOM 0 H GLN A 82 14.879 -10.636 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 82 17.540 -9.566 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.099 -11.904 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.336 -11.315 -7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.515 -10.230 -8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.252 -10.966 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.787 -11.329 -9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.596 -13.058 -10.141 1.00 0.00 H new ATOM 1373 N ALA A 83 16.841 -7.420 -6.728 1.00 0.00 N ATOM 1374 CA ALA A 83 16.886 -6.223 -7.547 1.00 0.00 C ATOM 1375 C ALA A 83 17.935 -5.265 -7.008 1.00 0.00 C ATOM 1376 O ALA A 83 17.572 -4.331 -6.259 1.00 0.00 O ATOM 1377 CB ALA A 83 15.520 -5.552 -7.595 1.00 0.00 C ATOM 1378 OXT ALA A 83 19.127 -5.462 -7.311 1.00 0.00 O ATOM 0 H ALA A 83 16.911 -7.244 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 83 17.158 -6.505 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.576 -4.657 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.791 -6.242 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.214 -5.277 -6.586 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -7.587 7.745 11.442 1.00 0.00 N ATOM 1386 CA GLU B 201 -6.315 8.478 11.263 1.00 0.00 C ATOM 1387 C GLU B 201 -5.149 7.504 11.077 1.00 0.00 C ATOM 1388 O GLU B 201 -4.406 7.199 12.012 1.00 0.00 O ATOM 1389 CB GLU B 201 -6.062 9.435 12.450 1.00 0.00 C ATOM 1390 CG GLU B 201 -6.037 8.784 13.834 1.00 0.00 C ATOM 1391 CD GLU B 201 -7.394 8.300 14.307 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -7.757 7.149 13.994 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.101 9.064 14.991 1.00 0.00 O ATOM 0 HA GLU B 201 -6.392 9.082 10.359 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -5.109 9.940 12.289 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -6.835 10.204 12.444 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -5.347 7.941 13.816 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -5.646 9.501 14.556 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.997 7.014 9.852 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.944 6.057 9.527 1.00 0.00 C ATOM 1404 C ILE B 202 -3.124 6.565 8.348 1.00 0.00 C ATOM 1405 O ILE B 202 -3.675 6.892 7.297 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.526 4.666 9.173 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.325 4.090 10.346 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.412 3.704 8.769 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.485 3.807 11.575 1.00 0.00 C ATOM 0 H ILE B 202 -5.593 7.265 9.063 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.312 5.954 10.409 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.203 4.791 8.328 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.118 4.789 10.612 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.808 3.167 10.026 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.841 2.732 8.524 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.888 4.099 7.899 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.710 3.593 9.595 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.119 3.401 12.363 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.708 3.084 11.326 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -4.023 4.732 11.921 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.815 6.643 8.524 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.935 7.100 7.458 1.00 0.00 C ATOM 1423 C LYS B 203 0.152 6.069 7.185 1.00 0.00 C ATOM 1424 O LYS B 203 0.169 4.997 7.797 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.296 8.443 7.821 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.296 9.517 8.214 1.00 0.00 C ATOM 1427 CD LYS B 203 -1.096 10.791 7.413 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.961 11.925 7.943 1.00 0.00 C ATOM 1429 NZ LYS B 203 -3.410 11.592 7.922 1.00 0.00 N ATOM 0 H LYS B 203 -1.338 6.397 9.392 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.535 7.230 6.558 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.401 8.291 8.645 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.287 8.798 6.971 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -2.309 9.145 8.059 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.196 9.736 9.277 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -0.047 11.084 7.450 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -1.338 10.606 6.367 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -1.660 12.161 8.964 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -1.788 12.820 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -3.960 12.414 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -3.695 11.343 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -3.590 10.786 8.554 1.00 0.00 H new ATOM 1443 N LEU B 204 1.052 6.393 6.265 1.00 0.00 N ATOM 1444 CA LEU B 204 2.179 5.523 5.956 1.00 0.00 C ATOM 1445 C LEU B 204 3.215 6.278 5.132 1.00 0.00 C ATOM 1446 O LEU B 204 3.070 6.419 3.915 1.00 0.00 O ATOM 1447 CB LEU B 204 1.723 4.284 5.176 1.00 0.00 C ATOM 1448 CG LEU B 204 2.432 2.965 5.527 1.00 0.00 C ATOM 1449 CD1 LEU B 204 2.120 1.901 4.487 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.938 3.147 5.665 1.00 0.00 C ATOM 0 H LEU B 204 1.023 7.254 5.719 1.00 0.00 H new ATOM 0 HA LEU B 204 2.620 5.202 6.900 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.653 4.152 5.337 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.864 4.477 4.113 1.00 0.00 H new ATOM 0 HG LEU B 204 2.052 2.638 6.495 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.630 0.974 4.751 1.00 0.00 H new ATOM 0 HD12 LEU B 204 1.044 1.727 4.455 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.462 2.237 3.508 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.399 2.191 5.913 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.348 3.514 4.724 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.146 3.867 6.457 1.00 0.00 H new ATOM 1462 N LYS B 205 4.252 6.766 5.788 1.00 0.00 N ATOM 1463 CA LYS B 205 5.357 7.387 5.082 1.00 0.00 C ATOM 1464 C LYS B 205 6.350 6.329 4.642 1.00 0.00 C ATOM 1465 O LYS B 205 7.414 6.179 5.247 1.00 0.00 O ATOM 1466 CB LYS B 205 6.078 8.419 5.949 1.00 0.00 C ATOM 1467 CG LYS B 205 5.201 9.571 6.392 1.00 0.00 C ATOM 1468 CD LYS B 205 5.989 10.865 6.526 1.00 0.00 C ATOM 1469 CE LYS B 205 6.552 11.324 5.185 1.00 0.00 C ATOM 1470 NZ LYS B 205 5.489 11.475 4.155 1.00 0.00 N ATOM 0 H LYS B 205 4.352 6.745 6.803 1.00 0.00 H new ATOM 0 HA LYS B 205 4.942 7.899 4.214 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.479 7.921 6.832 1.00 0.00 H new ATOM 0 HB3 LYS B 205 6.928 8.815 5.393 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.394 9.710 5.673 1.00 0.00 H new ATOM 0 HG3 LYS B 205 4.737 9.328 7.348 1.00 0.00 H new ATOM 0 HD2 LYS B 205 5.344 11.643 6.936 1.00 0.00 H new ATOM 0 HD3 LYS B 205 6.806 10.722 7.234 1.00 0.00 H new ATOM 0 HE2 LYS B 205 7.068 12.275 5.315 1.00 0.00 H new ATOM 0 HE3 LYS B 205 7.293 10.604 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 5.883 11.946 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 5.129 10.537 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.711 12.048 4.540 1.00 0.00 H new ATOM 1484 N ILE B 206 6.006 5.578 3.604 1.00 0.00 N ATOM 1485 CA ILE B 206 6.908 4.548 3.128 1.00 0.00 C ATOM 1486 C ILE B 206 8.174 5.196 2.584 1.00 0.00 C ATOM 1487 O ILE B 206 8.105 6.057 1.704 1.00 0.00 O ATOM 1488 CB ILE B 206 6.334 3.652 2.011 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.825 3.467 2.073 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.970 2.293 2.125 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.276 2.728 0.869 1.00 0.00 C ATOM 0 H ILE B 206 5.130 5.662 3.089 1.00 0.00 H new ATOM 0 HA ILE B 206 7.095 3.911 3.992 1.00 0.00 H new ATOM 0 HB ILE B 206 6.555 4.150 1.067 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.567 2.919 2.979 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.346 4.444 2.144 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.578 1.641 1.344 1.00 0.00 H new ATOM 0 HG22 ILE B 206 8.050 2.386 2.012 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.743 1.866 3.102 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.195 2.625 0.967 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.506 3.288 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.731 1.739 0.810 1.00 0.00 H new ATOM 1503 N THR B 207 9.317 4.784 3.098 1.00 0.00 N ATOM 1504 CA THR B 207 10.588 5.314 2.639 1.00 0.00 C ATOM 1505 C THR B 207 11.337 4.282 1.806 1.00 0.00 C ATOM 1506 O THR B 207 11.711 3.227 2.316 1.00 0.00 O ATOM 1507 CB THR B 207 11.461 5.765 3.827 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.453 4.760 4.852 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.964 7.084 4.399 1.00 0.00 C ATOM 0 H THR B 207 9.392 4.083 3.835 1.00 0.00 H new ATOM 0 HA THR B 207 10.377 6.182 2.014 1.00 0.00 H new ATOM 0 HB THR B 207 12.479 5.907 3.465 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.515 3.873 4.441 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.597 7.379 5.236 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.001 7.852 3.627 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.937 6.967 4.745 1.00 0.00 H new ATOM 1517 N LYS B 208 11.534 4.586 0.521 1.00 0.00 N ATOM 1518 CA LYS B 208 12.212 3.670 -0.395 1.00 0.00 C ATOM 1519 C LYS B 208 12.372 4.307 -1.781 1.00 0.00 C ATOM 1520 O LYS B 208 12.476 5.526 -1.881 1.00 0.00 O ATOM 1521 CB LYS B 208 11.482 2.303 -0.477 1.00 0.00 C ATOM 1522 CG LYS B 208 10.182 2.261 -1.287 1.00 0.00 C ATOM 1523 CD LYS B 208 9.094 3.154 -0.720 1.00 0.00 C ATOM 1524 CE LYS B 208 9.102 4.504 -1.402 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.092 5.426 -0.845 1.00 0.00 N ATOM 0 H LYS B 208 11.233 5.461 0.092 1.00 0.00 H new ATOM 0 HA LYS B 208 13.209 3.477 0.001 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.172 1.575 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.260 1.975 0.539 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.391 2.562 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.818 1.234 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.122 2.680 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.243 3.282 0.352 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.091 4.951 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.918 4.370 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.173 6.352 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.141 5.038 -1.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.250 5.538 0.177 1.00 0.00 H new ATOM 1539 N THR B 209 12.401 3.469 -2.824 1.00 0.00 N ATOM 1540 CA THR B 209 12.573 3.892 -4.221 1.00 0.00 C ATOM 1541 C THR B 209 13.885 4.637 -4.420 1.00 0.00 C ATOM 1542 O THR B 209 13.918 5.751 -4.945 1.00 0.00 O ATOM 1543 CB THR B 209 11.384 4.727 -4.776 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.122 5.880 -3.969 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.127 3.880 -4.859 1.00 0.00 C ATOM 0 H THR B 209 12.304 2.459 -2.720 1.00 0.00 H new ATOM 0 HA THR B 209 12.597 2.969 -4.800 1.00 0.00 H new ATOM 0 HB THR B 209 11.668 5.061 -5.774 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.871 6.026 -3.354 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.307 4.483 -5.250 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.302 3.033 -5.522 1.00 0.00 H new ATOM 0 HG23 THR B 209 9.868 3.515 -3.865 1.00 0.00 H new ATOM 1553 N ILE B 210 14.965 3.997 -4.001 1.00 0.00 N ATOM 1554 CA ILE B 210 16.297 4.556 -4.150 1.00 0.00 C ATOM 1555 C ILE B 210 16.734 4.515 -5.611 1.00 0.00 C ATOM 1556 O ILE B 210 16.453 3.551 -6.328 1.00 0.00 O ATOM 1557 CB ILE B 210 17.325 3.805 -3.276 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.381 2.320 -3.657 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.972 3.967 -1.803 1.00 0.00 C ATOM 1560 CD1 ILE B 210 18.435 1.536 -2.903 1.00 0.00 C ATOM 0 H ILE B 210 14.943 3.082 -3.551 1.00 0.00 H new ATOM 0 HA ILE B 210 16.257 5.593 -3.816 1.00 0.00 H new ATOM 0 HB ILE B 210 18.311 4.235 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE B 210 16.405 1.870 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.574 2.236 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE B 210 17.702 3.434 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE B 210 16.983 5.025 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE B 210 15.978 3.558 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE B 210 18.414 0.495 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE B 210 19.418 1.960 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE B 210 18.232 1.588 -1.833 1.00 0.00 H new ATOM 1572 N GLN B 211 17.398 5.571 -6.055 1.00 0.00 N ATOM 1573 CA GLN B 211 17.855 5.661 -7.434 1.00 0.00 C ATOM 1574 C GLN B 211 19.366 5.844 -7.477 1.00 0.00 C ATOM 1575 O GLN B 211 19.866 6.843 -7.998 1.00 0.00 O ATOM 1576 CB GLN B 211 17.170 6.825 -8.156 1.00 0.00 C ATOM 1577 CG GLN B 211 15.653 6.784 -8.084 1.00 0.00 C ATOM 1578 CD GLN B 211 15.007 7.889 -8.894 1.00 0.00 C ATOM 1579 OE1 GLN B 211 14.796 8.998 -8.399 1.00 0.00 O ATOM 1580 NE2 GLN B 211 14.680 7.595 -10.140 1.00 0.00 N ATOM 0 H GLN B 211 17.633 6.380 -5.479 1.00 0.00 H new ATOM 0 HA GLN B 211 17.593 4.733 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN B 211 17.520 7.763 -7.726 1.00 0.00 H new ATOM 0 HB3 GLN B 211 17.475 6.821 -9.202 1.00 0.00 H new ATOM 0 HG2 GLN B 211 15.301 5.818 -8.446 1.00 0.00 H new ATOM 0 HG3 GLN B 211 15.339 6.868 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN B 211 14.872 6.665 -10.512 1.00 0.00 H new ATOM 0 HE22 GLN B 211 14.236 8.298 -10.730 1.00 0.00 H new ATOM 1589 N ASN B 212 20.077 4.868 -6.920 1.00 0.00 N ATOM 1590 CA ASN B 212 21.537 4.893 -6.851 1.00 0.00 C ATOM 1591 C ASN B 212 22.001 6.097 -6.047 1.00 0.00 C ATOM 1592 O ASN B 212 22.462 7.087 -6.653 1.00 0.00 O ATOM 1593 CB ASN B 212 22.171 4.909 -8.250 1.00 0.00 C ATOM 1594 CG ASN B 212 21.999 3.601 -9.002 1.00 0.00 C ATOM 1595 OD1 ASN B 212 21.026 2.870 -8.805 1.00 0.00 O ATOM 1596 ND2 ASN B 212 22.942 3.298 -9.878 1.00 0.00 N ATOM 1597 OXT ASN B 212 21.866 6.064 -4.807 1.00 0.00 O ATOM 0 H ASN B 212 19.658 4.037 -6.503 1.00 0.00 H new ATOM 0 HA ASN B 212 21.863 3.980 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN B 212 21.728 5.716 -8.833 1.00 0.00 H new ATOM 0 HB3 ASN B 212 23.234 5.130 -8.157 1.00 0.00 H new ATOM 0 HD21 ASN B 212 22.879 2.435 -10.418 1.00 0.00 H new ATOM 0 HD22 ASN B 212 23.733 3.928 -10.014 1.00 0.00 H new TER 1604 ASN B 212