USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -124:sc= 1.3 USER MOD Set 1.2: A 65 TYR OH : rot 164:sc= 1.77 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.168 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -37:sc= 0.862 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.244 (180deg=0.221) USER MOD Single : A 17 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.028 K(o=-0.028,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.11 K(o=-1.1,f=-11!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0.816 (180deg=0.769) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.151 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0501 USER MOD Single : A 57 SER OG : rot 73:sc= 1.25 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 0.747 (180deg=0.338) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.958 4.151 13.489 1.00 0.00 N ATOM 2 CA GLY A 1 15.200 4.267 12.721 1.00 0.00 C ATOM 3 C GLY A 1 14.865 4.661 11.298 1.00 0.00 C ATOM 4 O GLY A 1 13.698 4.690 10.903 1.00 0.00 O ATOM 0 H1 GLY A 1 13.977 4.822 14.284 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.148 4.366 12.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.866 3.182 13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.854 5.012 13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.739 3.320 12.732 1.00 0.00 H new ATOM 8 N MET A 2 15.884 4.932 10.490 1.00 0.00 N ATOM 9 CA MET A 2 15.741 5.177 9.060 1.00 0.00 C ATOM 10 C MET A 2 15.856 3.849 8.306 1.00 0.00 C ATOM 11 O MET A 2 16.492 3.781 7.257 1.00 0.00 O ATOM 12 CB MET A 2 16.768 6.226 8.608 1.00 0.00 C ATOM 13 CG MET A 2 16.632 7.550 9.368 1.00 0.00 C ATOM 14 SD MET A 2 15.021 8.364 9.200 1.00 0.00 S ATOM 15 CE MET A 2 15.322 9.762 10.307 1.00 0.00 C ATOM 0 H MET A 2 16.849 4.988 10.816 1.00 0.00 H new ATOM 0 HA MET A 2 14.758 5.589 8.833 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.773 5.830 8.752 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.648 6.410 7.540 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.821 7.366 10.426 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.406 8.233 9.020 1.00 0.00 H new ATOM 0 HE1 MET A 2 14.435 10.395 10.343 1.00 0.00 H new ATOM 0 HE2 MET A 2 15.545 9.392 11.308 1.00 0.00 H new ATOM 0 HE3 MET A 2 16.168 10.343 9.938 1.00 0.00 H new ATOM 25 N VAL A 3 15.221 2.784 8.813 1.00 0.00 N ATOM 26 CA VAL A 3 14.996 1.561 8.049 1.00 0.00 C ATOM 27 C VAL A 3 13.962 1.927 6.980 1.00 0.00 C ATOM 28 O VAL A 3 12.756 1.746 7.157 1.00 0.00 O ATOM 29 CB VAL A 3 14.565 0.398 8.973 1.00 0.00 C ATOM 30 CG1 VAL A 3 14.340 -0.911 8.199 1.00 0.00 C ATOM 31 CG2 VAL A 3 15.625 0.132 10.059 1.00 0.00 C ATOM 0 H VAL A 3 14.851 2.751 9.763 1.00 0.00 H new ATOM 0 HA VAL A 3 15.903 1.192 7.569 1.00 0.00 H new ATOM 0 HB VAL A 3 13.625 0.710 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.039 -1.696 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.557 -0.764 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.264 -1.202 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.296 -0.690 10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.572 -0.130 9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.758 1.028 10.665 1.00 0.00 H new ATOM 41 N LYS A 4 14.422 2.542 5.892 1.00 0.00 N ATOM 42 CA LYS A 4 13.583 3.042 4.806 1.00 0.00 C ATOM 43 C LYS A 4 13.349 1.961 3.750 1.00 0.00 C ATOM 44 O LYS A 4 12.990 2.267 2.612 1.00 0.00 O ATOM 45 CB LYS A 4 14.187 4.342 4.242 1.00 0.00 C ATOM 46 CG LYS A 4 14.162 5.537 5.219 1.00 0.00 C ATOM 47 CD LYS A 4 12.778 5.929 5.766 1.00 0.00 C ATOM 48 CE LYS A 4 11.811 6.295 4.628 1.00 0.00 C ATOM 49 NZ LYS A 4 10.418 6.483 5.076 1.00 0.00 N ATOM 0 H LYS A 4 15.416 2.711 5.738 1.00 0.00 H new ATOM 0 HA LYS A 4 12.593 3.292 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.219 4.151 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.644 4.617 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.812 5.305 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.590 6.403 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.366 5.102 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.880 6.775 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.157 7.211 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.838 5.510 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.821 6.727 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.071 5.603 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.379 7.251 5.776 1.00 0.00 H new ATOM 63 N GLU A 5 13.560 0.702 4.115 1.00 0.00 N ATOM 64 CA GLU A 5 13.626 -0.467 3.262 1.00 0.00 C ATOM 65 C GLU A 5 12.645 -1.499 3.818 1.00 0.00 C ATOM 66 O GLU A 5 12.958 -2.251 4.741 1.00 0.00 O ATOM 67 CB GLU A 5 15.084 -0.946 3.128 1.00 0.00 C ATOM 68 CG GLU A 5 15.896 -1.059 4.432 1.00 0.00 C ATOM 69 CD GLU A 5 17.350 -1.433 4.141 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.652 -2.622 3.896 1.00 0.00 O ATOM 71 OE2 GLU A 5 18.228 -0.543 4.184 1.00 0.00 O ATOM 0 H GLU A 5 13.700 0.458 5.096 1.00 0.00 H new ATOM 0 HA GLU A 5 13.319 -0.255 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.078 -1.923 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.607 -0.262 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.861 -0.112 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.446 -1.811 5.081 1.00 0.00 H new ATOM 78 N THR A 6 11.414 -1.472 3.301 1.00 0.00 N ATOM 79 CA THR A 6 10.383 -2.427 3.658 1.00 0.00 C ATOM 80 C THR A 6 9.463 -2.648 2.461 1.00 0.00 C ATOM 81 O THR A 6 9.340 -1.773 1.595 1.00 0.00 O ATOM 82 CB THR A 6 9.574 -1.949 4.884 1.00 0.00 C ATOM 83 OG1 THR A 6 10.085 -0.803 5.545 1.00 0.00 O ATOM 84 CG2 THR A 6 9.511 -3.075 5.904 1.00 0.00 C ATOM 0 H THR A 6 11.111 -0.778 2.618 1.00 0.00 H new ATOM 0 HA THR A 6 10.859 -3.369 3.929 1.00 0.00 H new ATOM 0 HB THR A 6 8.598 -1.669 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.507 -0.578 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.942 -2.747 6.774 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.025 -3.943 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.521 -3.344 6.212 1.00 0.00 H new ATOM 92 N THR A 7 8.793 -3.797 2.427 1.00 0.00 N ATOM 93 CA THR A 7 7.892 -4.138 1.348 1.00 0.00 C ATOM 94 C THR A 7 6.633 -3.268 1.370 1.00 0.00 C ATOM 95 O THR A 7 6.329 -2.528 2.312 1.00 0.00 O ATOM 96 CB THR A 7 7.580 -5.641 1.382 1.00 0.00 C ATOM 97 OG1 THR A 7 7.062 -6.082 0.148 1.00 0.00 O ATOM 98 CG2 THR A 7 6.586 -6.036 2.473 1.00 0.00 C ATOM 0 H THR A 7 8.865 -4.513 3.150 1.00 0.00 H new ATOM 0 HA THR A 7 8.381 -3.926 0.397 1.00 0.00 H new ATOM 0 HB THR A 7 8.536 -6.119 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.194 -6.512 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.414 -7.112 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.990 -5.766 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.643 -5.512 2.313 1.00 0.00 H new ATOM 106 N TYR A 8 5.854 -3.449 0.314 1.00 0.00 N ATOM 107 CA TYR A 8 4.633 -2.721 0.010 1.00 0.00 C ATOM 108 C TYR A 8 3.570 -2.862 1.101 1.00 0.00 C ATOM 109 O TYR A 8 2.865 -1.895 1.379 1.00 0.00 O ATOM 110 CB TYR A 8 4.120 -3.193 -1.355 1.00 0.00 C ATOM 111 CG TYR A 8 5.053 -2.853 -2.504 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.531 -1.538 -2.686 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.467 -3.867 -3.381 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.393 -1.232 -3.752 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.350 -3.575 -4.435 1.00 0.00 C ATOM 116 CZ TYR A 8 6.823 -2.259 -4.624 1.00 0.00 C ATOM 117 OH TYR A 8 7.715 -1.967 -5.608 1.00 0.00 O ATOM 0 H TYR A 8 6.071 -4.150 -0.395 1.00 0.00 H new ATOM 0 HA TYR A 8 4.857 -1.655 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.972 -4.272 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.145 -2.743 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.231 -0.760 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.106 -4.876 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.726 -0.216 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.668 -4.362 -5.103 1.00 0.00 H new ATOM 0 HH TYR A 8 7.912 -2.778 -6.122 1.00 0.00 H new ATOM 127 N TYR A 9 3.478 -4.015 1.767 1.00 0.00 N ATOM 128 CA TYR A 9 2.614 -4.175 2.934 1.00 0.00 C ATOM 129 C TYR A 9 2.958 -3.140 4.013 1.00 0.00 C ATOM 130 O TYR A 9 2.078 -2.407 4.459 1.00 0.00 O ATOM 131 CB TYR A 9 2.757 -5.582 3.515 1.00 0.00 C ATOM 132 CG TYR A 9 2.050 -6.704 2.777 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.648 -6.770 2.810 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.776 -7.767 2.208 1.00 0.00 C ATOM 135 CE1 TYR A 9 -0.027 -7.903 2.334 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.105 -8.901 1.719 1.00 0.00 C ATOM 137 CZ TYR A 9 0.700 -8.987 1.808 1.00 0.00 C ATOM 138 OH TYR A 9 0.042 -10.118 1.439 1.00 0.00 O ATOM 0 H TYR A 9 3.996 -4.856 1.514 1.00 0.00 H new ATOM 0 HA TYR A 9 1.584 -4.021 2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.819 -5.823 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.388 -5.565 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.083 -5.939 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.853 -7.711 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.106 -7.944 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.667 -9.709 1.274 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.687 -10.293 2.070 1.00 0.00 H new ATOM 148 N ASP A 10 4.231 -3.073 4.416 1.00 0.00 N ATOM 149 CA ASP A 10 4.662 -2.255 5.551 1.00 0.00 C ATOM 150 C ASP A 10 4.526 -0.766 5.218 1.00 0.00 C ATOM 151 O ASP A 10 4.166 0.031 6.092 1.00 0.00 O ATOM 152 CB ASP A 10 6.106 -2.608 5.961 1.00 0.00 C ATOM 153 CG ASP A 10 6.185 -3.260 7.350 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.641 -2.661 8.309 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.777 -4.361 7.489 1.00 0.00 O ATOM 0 H ASP A 10 4.990 -3.584 3.964 1.00 0.00 H new ATOM 0 HA ASP A 10 4.015 -2.471 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.534 -3.285 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.713 -1.703 5.954 1.00 0.00 H new ATOM 160 N VAL A 11 4.737 -0.396 3.946 1.00 0.00 N ATOM 161 CA VAL A 11 4.410 0.919 3.397 1.00 0.00 C ATOM 162 C VAL A 11 2.937 1.207 3.660 1.00 0.00 C ATOM 163 O VAL A 11 2.591 2.269 4.184 1.00 0.00 O ATOM 164 CB VAL A 11 4.764 0.976 1.891 1.00 0.00 C ATOM 165 CG1 VAL A 11 4.225 2.243 1.210 1.00 0.00 C ATOM 166 CG2 VAL A 11 6.277 0.889 1.650 1.00 0.00 C ATOM 0 H VAL A 11 5.151 -1.023 3.256 1.00 0.00 H new ATOM 0 HA VAL A 11 5.001 1.694 3.885 1.00 0.00 H new ATOM 0 HB VAL A 11 4.280 0.106 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.500 2.234 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.139 2.271 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.653 3.124 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.478 0.933 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.773 1.723 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.656 -0.051 2.052 1.00 0.00 H new ATOM 176 N LEU A 12 2.053 0.267 3.339 1.00 0.00 N ATOM 177 CA LEU A 12 0.614 0.385 3.533 1.00 0.00 C ATOM 178 C LEU A 12 0.194 0.272 5.000 1.00 0.00 C ATOM 179 O LEU A 12 -1.001 0.291 5.288 1.00 0.00 O ATOM 180 CB LEU A 12 -0.105 -0.641 2.643 1.00 0.00 C ATOM 181 CG LEU A 12 0.029 -0.308 1.148 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.338 -1.524 0.301 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.861 0.873 0.770 1.00 0.00 C ATOM 0 H LEU A 12 2.328 -0.624 2.925 1.00 0.00 H new ATOM 0 HA LEU A 12 0.314 1.389 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.306 -1.633 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.161 -0.677 2.912 1.00 0.00 H new ATOM 0 HG LEU A 12 1.066 -0.035 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.239 -1.275 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.330 -2.351 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.367 -1.816 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.748 1.088 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.902 0.627 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.570 1.748 1.351 1.00 0.00 H new ATOM 195 N GLY A 13 1.140 0.193 5.939 1.00 0.00 N ATOM 196 CA GLY A 13 0.848 0.186 7.366 1.00 0.00 C ATOM 197 C GLY A 13 0.172 -1.106 7.809 1.00 0.00 C ATOM 198 O GLY A 13 -0.347 -1.179 8.928 1.00 0.00 O ATOM 0 H GLY A 13 2.135 0.132 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.774 0.320 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.205 1.032 7.608 1.00 0.00 H new ATOM 202 N VAL A 14 0.176 -2.135 6.963 1.00 0.00 N ATOM 203 CA VAL A 14 -0.321 -3.457 7.277 1.00 0.00 C ATOM 204 C VAL A 14 0.896 -4.373 7.385 1.00 0.00 C ATOM 205 O VAL A 14 1.909 -4.178 6.715 1.00 0.00 O ATOM 206 CB VAL A 14 -1.360 -3.914 6.230 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.622 -3.039 6.212 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.815 -3.937 4.800 1.00 0.00 C ATOM 0 H VAL A 14 0.538 -2.060 6.012 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.859 -3.478 8.225 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.607 -4.927 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.313 -3.412 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.102 -3.073 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.348 -2.010 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.598 -4.267 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.487 -2.936 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.029 -4.624 4.743 1.00 0.00 H new ATOM 218 N LYS A 15 0.816 -5.385 8.242 1.00 0.00 N ATOM 219 CA LYS A 15 1.909 -6.340 8.377 1.00 0.00 C ATOM 220 C LYS A 15 2.134 -7.101 7.059 1.00 0.00 C ATOM 221 O LYS A 15 1.178 -7.312 6.309 1.00 0.00 O ATOM 222 CB LYS A 15 1.682 -7.249 9.597 1.00 0.00 C ATOM 223 CG LYS A 15 0.240 -7.616 9.977 1.00 0.00 C ATOM 224 CD LYS A 15 -0.515 -8.396 8.904 1.00 0.00 C ATOM 225 CE LYS A 15 -1.917 -8.853 9.332 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.856 -7.750 9.619 1.00 0.00 N ATOM 0 H LYS A 15 0.015 -5.564 8.847 1.00 0.00 H new ATOM 0 HA LYS A 15 2.840 -5.807 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.226 -8.178 9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.140 -6.766 10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.257 -8.206 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.309 -6.701 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.603 -7.775 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.072 -9.271 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.339 -9.478 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.827 -9.478 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.803 -8.139 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.530 -7.226 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.897 -7.107 8.802 1.00 0.00 H new ATOM 240 N PRO A 16 3.350 -7.613 6.787 1.00 0.00 N ATOM 241 CA PRO A 16 3.693 -8.360 5.570 1.00 0.00 C ATOM 242 C PRO A 16 2.999 -9.720 5.419 1.00 0.00 C ATOM 243 O PRO A 16 3.332 -10.494 4.513 1.00 0.00 O ATOM 244 CB PRO A 16 5.215 -8.450 5.549 1.00 0.00 C ATOM 245 CG PRO A 16 5.585 -8.392 7.020 1.00 0.00 C ATOM 246 CD PRO A 16 4.547 -7.432 7.592 1.00 0.00 C ATOM 0 HA PRO A 16 3.313 -7.828 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.558 -9.374 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.660 -7.627 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.530 -9.374 7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.601 -8.024 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.349 -7.651 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.899 -6.402 7.542 1.00 0.00 H new ATOM 254 N ASN A 17 2.076 -10.045 6.313 1.00 0.00 N ATOM 255 CA ASN A 17 1.201 -11.206 6.247 1.00 0.00 C ATOM 256 C ASN A 17 -0.284 -10.797 6.218 1.00 0.00 C ATOM 257 O ASN A 17 -1.150 -11.576 6.618 1.00 0.00 O ATOM 258 CB ASN A 17 1.562 -12.173 7.386 1.00 0.00 C ATOM 259 CG ASN A 17 0.923 -13.547 7.202 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.543 -13.937 6.102 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.813 -14.315 8.266 1.00 0.00 N ATOM 0 H ASN A 17 1.909 -9.478 7.144 1.00 0.00 H new ATOM 0 HA ASN A 17 1.357 -11.737 5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.645 -12.282 7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.239 -11.749 8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.408 -15.247 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.133 -13.978 9.174 1.00 0.00 H new ATOM 268 N ALA A 18 -0.609 -9.561 5.813 1.00 0.00 N ATOM 269 CA ALA A 18 -1.994 -9.131 5.627 1.00 0.00 C ATOM 270 C ALA A 18 -2.623 -9.845 4.432 1.00 0.00 C ATOM 271 O ALA A 18 -1.927 -10.231 3.488 1.00 0.00 O ATOM 272 CB ALA A 18 -2.057 -7.613 5.425 1.00 0.00 C ATOM 0 H ALA A 18 0.080 -8.838 5.607 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.557 -9.392 6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.094 -7.307 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.644 -7.112 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.478 -7.339 4.543 1.00 0.00 H new ATOM 278 N THR A 19 -3.940 -10.005 4.464 1.00 0.00 N ATOM 279 CA THR A 19 -4.728 -10.572 3.379 1.00 0.00 C ATOM 280 C THR A 19 -5.062 -9.518 2.312 1.00 0.00 C ATOM 281 O THR A 19 -4.918 -8.312 2.535 1.00 0.00 O ATOM 282 CB THR A 19 -5.992 -11.222 3.985 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.472 -10.514 5.092 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.700 -12.656 4.430 1.00 0.00 C ATOM 0 H THR A 19 -4.505 -9.736 5.269 1.00 0.00 H new ATOM 0 HA THR A 19 -4.150 -11.337 2.861 1.00 0.00 H new ATOM 0 HB THR A 19 -6.749 -11.210 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.272 -10.958 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.602 -13.096 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.378 -13.245 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.911 -12.650 5.182 1.00 0.00 H new ATOM 292 N GLN A 20 -5.584 -9.979 1.167 1.00 0.00 N ATOM 293 CA GLN A 20 -6.193 -9.152 0.118 1.00 0.00 C ATOM 294 C GLN A 20 -7.189 -8.162 0.733 1.00 0.00 C ATOM 295 O GLN A 20 -7.263 -6.997 0.334 1.00 0.00 O ATOM 296 CB GLN A 20 -6.955 -10.047 -0.874 1.00 0.00 C ATOM 297 CG GLN A 20 -6.077 -11.062 -1.623 1.00 0.00 C ATOM 298 CD GLN A 20 -6.123 -10.840 -3.126 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.911 -11.460 -3.837 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.281 -9.958 -3.629 1.00 0.00 N ATOM 0 H GLN A 20 -5.594 -10.973 0.938 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.399 -8.609 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.732 -10.587 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.458 -9.412 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.048 -10.981 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.413 -12.073 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.638 -9.458 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.273 -9.776 -4.633 1.00 0.00 H new ATOM 309 N GLU A 21 -7.999 -8.640 1.680 1.00 0.00 N ATOM 310 CA GLU A 21 -9.045 -7.849 2.296 1.00 0.00 C ATOM 311 C GLU A 21 -8.457 -6.801 3.223 1.00 0.00 C ATOM 312 O GLU A 21 -8.825 -5.632 3.123 1.00 0.00 O ATOM 313 CB GLU A 21 -10.014 -8.742 3.072 1.00 0.00 C ATOM 314 CG GLU A 21 -10.695 -9.767 2.178 1.00 0.00 C ATOM 315 CD GLU A 21 -12.094 -10.059 2.701 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.289 -10.908 3.589 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.011 -9.330 2.241 1.00 0.00 O ATOM 0 H GLU A 21 -7.940 -9.594 2.037 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.592 -7.344 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.473 -9.257 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.771 -8.122 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.750 -9.392 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.108 -10.685 2.150 1.00 0.00 H new ATOM 324 N GLU A 22 -7.542 -7.203 4.107 1.00 0.00 N ATOM 325 CA GLU A 22 -6.897 -6.302 5.051 1.00 0.00 C ATOM 326 C GLU A 22 -6.229 -5.149 4.298 1.00 0.00 C ATOM 327 O GLU A 22 -6.404 -3.992 4.678 1.00 0.00 O ATOM 328 CB GLU A 22 -5.900 -7.080 5.922 1.00 0.00 C ATOM 329 CG GLU A 22 -6.624 -7.927 6.981 1.00 0.00 C ATOM 330 CD GLU A 22 -5.656 -8.436 8.062 1.00 0.00 C ATOM 331 OE1 GLU A 22 -4.690 -9.164 7.755 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.803 -8.034 9.246 1.00 0.00 O ATOM 0 H GLU A 22 -7.229 -8.171 4.185 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.644 -5.869 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.290 -7.727 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.222 -6.382 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.410 -7.333 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.109 -8.775 6.499 1.00 0.00 H new ATOM 339 N LEU A 23 -5.554 -5.449 3.181 1.00 0.00 N ATOM 340 CA LEU A 23 -5.008 -4.456 2.265 1.00 0.00 C ATOM 341 C LEU A 23 -6.090 -3.465 1.842 1.00 0.00 C ATOM 342 O LEU A 23 -5.972 -2.273 2.124 1.00 0.00 O ATOM 343 CB LEU A 23 -4.392 -5.141 1.032 1.00 0.00 C ATOM 344 CG LEU A 23 -2.965 -5.657 1.266 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.621 -6.683 0.183 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.971 -4.491 1.210 1.00 0.00 C ATOM 0 H LEU A 23 -5.372 -6.409 2.889 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.222 -3.906 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.027 -5.975 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.383 -4.436 0.201 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.903 -6.125 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.609 -7.054 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.324 -7.514 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.685 -6.212 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.961 -4.866 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.024 -4.014 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.220 -3.763 1.982 1.00 0.00 H new ATOM 358 N LYS A 24 -7.139 -3.916 1.153 1.00 0.00 N ATOM 359 CA LYS A 24 -8.141 -3.012 0.581 1.00 0.00 C ATOM 360 C LYS A 24 -8.879 -2.206 1.649 1.00 0.00 C ATOM 361 O LYS A 24 -9.121 -1.009 1.450 1.00 0.00 O ATOM 362 CB LYS A 24 -9.094 -3.827 -0.296 1.00 0.00 C ATOM 363 CG LYS A 24 -10.086 -2.941 -1.057 1.00 0.00 C ATOM 364 CD LYS A 24 -10.967 -3.790 -1.968 1.00 0.00 C ATOM 365 CE LYS A 24 -11.933 -2.902 -2.753 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.907 -3.701 -3.524 1.00 0.00 N ATOM 0 H LYS A 24 -7.318 -4.905 0.976 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.636 -2.269 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.515 -4.415 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.644 -4.532 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.707 -2.390 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.544 -2.203 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.345 -4.360 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.527 -4.511 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.465 -2.246 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.369 -2.262 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.545 -3.064 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.400 -4.309 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.462 -4.293 -2.874 1.00 0.00 H new ATOM 380 N LYS A 25 -9.227 -2.824 2.783 1.00 0.00 N ATOM 381 CA LYS A 25 -9.872 -2.111 3.884 1.00 0.00 C ATOM 382 C LYS A 25 -8.922 -1.045 4.434 1.00 0.00 C ATOM 383 O LYS A 25 -9.368 0.083 4.660 1.00 0.00 O ATOM 384 CB LYS A 25 -10.359 -3.073 4.981 1.00 0.00 C ATOM 385 CG LYS A 25 -11.486 -4.007 4.492 1.00 0.00 C ATOM 386 CD LYS A 25 -12.252 -4.624 5.670 1.00 0.00 C ATOM 387 CE LYS A 25 -12.979 -5.933 5.333 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.913 -5.864 4.186 1.00 0.00 N ATOM 0 H LYS A 25 -9.072 -3.816 2.960 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.763 -1.613 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.520 -3.674 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.715 -2.495 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.176 -3.448 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.062 -4.800 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.553 -4.810 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.981 -3.900 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.233 -6.700 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.534 -6.257 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.352 -6.795 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.652 -5.159 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.391 -5.589 3.329 1.00 0.00 H new ATOM 402 N ALA A 26 -7.633 -1.368 4.625 1.00 0.00 N ATOM 403 CA ALA A 26 -6.635 -0.417 5.111 1.00 0.00 C ATOM 404 C ALA A 26 -6.496 0.756 4.146 1.00 0.00 C ATOM 405 O ALA A 26 -6.528 1.904 4.584 1.00 0.00 O ATOM 406 CB ALA A 26 -5.268 -1.081 5.320 1.00 0.00 C ATOM 0 H ALA A 26 -7.258 -2.299 4.445 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.984 -0.051 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.555 -0.340 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.361 -1.883 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.915 -1.493 4.374 1.00 0.00 H new ATOM 412 N TYR A 27 -6.386 0.470 2.847 1.00 0.00 N ATOM 413 CA TYR A 27 -6.160 1.459 1.804 1.00 0.00 C ATOM 414 C TYR A 27 -7.172 2.590 1.917 1.00 0.00 C ATOM 415 O TYR A 27 -6.782 3.750 2.034 1.00 0.00 O ATOM 416 CB TYR A 27 -6.210 0.799 0.424 1.00 0.00 C ATOM 417 CG TYR A 27 -5.976 1.787 -0.697 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.660 2.106 -1.070 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.058 2.429 -1.328 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.413 3.038 -2.095 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.823 3.351 -2.364 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.500 3.639 -2.770 1.00 0.00 C ATOM 423 OH TYR A 27 -5.282 4.486 -3.813 1.00 0.00 O ATOM 0 H TYR A 27 -6.454 -0.482 2.487 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.166 1.888 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.458 0.012 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.181 0.322 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.831 1.632 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.069 2.214 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.399 3.293 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.655 3.840 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.141 4.806 -4.160 1.00 0.00 H new ATOM 433 N ARG A 28 -8.468 2.258 1.972 1.00 0.00 N ATOM 434 CA ARG A 28 -9.540 3.236 2.148 1.00 0.00 C ATOM 435 C ARG A 28 -9.254 4.147 3.347 1.00 0.00 C ATOM 436 O ARG A 28 -9.178 5.360 3.168 1.00 0.00 O ATOM 437 CB ARG A 28 -10.897 2.512 2.252 1.00 0.00 C ATOM 438 CG ARG A 28 -11.816 2.731 1.038 1.00 0.00 C ATOM 439 CD ARG A 28 -12.500 4.102 1.077 1.00 0.00 C ATOM 440 NE ARG A 28 -13.710 4.161 0.236 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.744 4.996 0.411 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.748 5.869 1.419 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.775 4.954 -0.426 1.00 0.00 N ATOM 0 H ARG A 28 -8.800 1.297 1.895 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.588 3.887 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.719 1.443 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.411 2.853 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.233 2.642 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.574 1.948 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.767 4.341 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.795 4.864 0.745 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.765 3.510 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.960 5.906 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.539 6.500 1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.778 4.288 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.564 5.588 -0.296 1.00 0.00 H new ATOM 457 N LYS A 29 -9.052 3.605 4.555 1.00 0.00 N ATOM 458 CA LYS A 29 -8.833 4.435 5.748 1.00 0.00 C ATOM 459 C LYS A 29 -7.484 5.157 5.767 1.00 0.00 C ATOM 460 O LYS A 29 -7.215 5.907 6.709 1.00 0.00 O ATOM 461 CB LYS A 29 -9.148 3.661 7.045 1.00 0.00 C ATOM 462 CG LYS A 29 -8.431 2.321 7.280 1.00 0.00 C ATOM 463 CD LYS A 29 -7.008 2.429 7.852 1.00 0.00 C ATOM 464 CE LYS A 29 -6.960 2.179 9.364 1.00 0.00 C ATOM 465 NZ LYS A 29 -7.538 3.271 10.176 1.00 0.00 N ATOM 0 H LYS A 29 -9.036 2.601 4.732 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.556 5.249 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.919 4.314 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.222 3.474 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.034 1.720 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.385 1.782 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.362 1.710 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.609 3.421 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.494 1.255 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.923 2.028 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.468 3.028 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.016 4.152 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.537 3.403 9.920 1.00 0.00 H new ATOM 479 N LEU A 30 -6.622 4.958 4.771 1.00 0.00 N ATOM 480 CA LEU A 30 -5.364 5.674 4.629 1.00 0.00 C ATOM 481 C LEU A 30 -5.493 6.752 3.569 1.00 0.00 C ATOM 482 O LEU A 30 -5.084 7.880 3.829 1.00 0.00 O ATOM 483 CB LEU A 30 -4.225 4.697 4.345 1.00 0.00 C ATOM 484 CG LEU A 30 -3.916 3.811 5.566 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.013 2.650 5.158 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.238 4.613 6.680 1.00 0.00 C ATOM 0 H LEU A 30 -6.786 4.280 4.027 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.121 6.176 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.489 4.067 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.331 5.253 4.063 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.863 3.426 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.801 2.030 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.513 2.049 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.079 3.040 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.034 3.958 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.302 5.030 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.895 5.422 6.998 1.00 0.00 H new ATOM 498 N ALA A 31 -6.130 6.464 2.434 1.00 0.00 N ATOM 499 CA ALA A 31 -6.497 7.471 1.450 1.00 0.00 C ATOM 500 C ALA A 31 -7.342 8.560 2.114 1.00 0.00 C ATOM 501 O ALA A 31 -7.030 9.740 2.008 1.00 0.00 O ATOM 502 CB ALA A 31 -7.245 6.804 0.288 1.00 0.00 C ATOM 0 H ALA A 31 -6.406 5.517 2.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.601 7.943 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.520 7.559 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.601 6.058 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.146 6.320 0.665 1.00 0.00 H new ATOM 508 N LEU A 32 -8.376 8.171 2.865 1.00 0.00 N ATOM 509 CA LEU A 32 -9.212 9.095 3.621 1.00 0.00 C ATOM 510 C LEU A 32 -8.473 9.777 4.780 1.00 0.00 C ATOM 511 O LEU A 32 -9.030 10.720 5.343 1.00 0.00 O ATOM 512 CB LEU A 32 -10.468 8.374 4.149 1.00 0.00 C ATOM 513 CG LEU A 32 -11.607 8.307 3.119 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.443 7.194 2.084 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.940 8.088 3.845 1.00 0.00 C ATOM 0 H LEU A 32 -8.655 7.195 2.963 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.500 9.884 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.198 7.361 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.825 8.887 5.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.583 9.256 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.286 7.212 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.517 7.346 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.409 6.229 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.748 8.040 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.900 7.153 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.120 8.915 4.532 1.00 0.00 H new ATOM 527 N LYS A 33 -7.275 9.335 5.185 1.00 0.00 N ATOM 528 CA LYS A 33 -6.453 10.084 6.134 1.00 0.00 C ATOM 529 C LYS A 33 -5.673 11.128 5.344 1.00 0.00 C ATOM 530 O LYS A 33 -5.916 12.324 5.499 1.00 0.00 O ATOM 531 CB LYS A 33 -5.543 9.157 6.970 1.00 0.00 C ATOM 532 CG LYS A 33 -4.550 9.988 7.807 1.00 0.00 C ATOM 533 CD LYS A 33 -3.694 9.182 8.786 1.00 0.00 C ATOM 534 CE LYS A 33 -4.441 8.838 10.084 1.00 0.00 C ATOM 535 NZ LYS A 33 -3.542 8.878 11.259 1.00 0.00 N ATOM 0 H LYS A 33 -6.856 8.461 4.867 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.084 10.585 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.152 8.536 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.997 8.483 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.889 10.527 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.109 10.737 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.369 8.260 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.795 9.749 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.261 9.541 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.883 7.845 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.081 8.641 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.773 8.189 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.140 9.832 11.356 1.00 0.00 H new ATOM 549 N TYR A 34 -4.741 10.668 4.513 1.00 0.00 N ATOM 550 CA TYR A 34 -3.761 11.464 3.785 1.00 0.00 C ATOM 551 C TYR A 34 -4.372 12.153 2.557 1.00 0.00 C ATOM 552 O TYR A 34 -3.650 12.458 1.609 1.00 0.00 O ATOM 553 CB TYR A 34 -2.596 10.542 3.387 1.00 0.00 C ATOM 554 CG TYR A 34 -1.936 9.805 4.540 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.243 10.505 5.552 1.00 0.00 C ATOM 556 CD2 TYR A 34 -2.002 8.401 4.600 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.690 9.804 6.640 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.347 7.699 5.613 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.723 8.394 6.667 1.00 0.00 C ATOM 560 OH TYR A 34 -0.140 7.719 7.697 1.00 0.00 O ATOM 0 H TYR A 34 -4.646 9.671 4.320 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.401 12.266 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.962 9.808 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.840 11.138 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.137 11.578 5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.566 7.860 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.239 10.347 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.319 6.620 5.588 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.254 6.755 7.562 1.00 0.00 H new ATOM 570 N HIS A 35 -5.696 12.357 2.514 1.00 0.00 N ATOM 571 CA HIS A 35 -6.298 12.973 1.344 1.00 0.00 C ATOM 572 C HIS A 35 -5.787 14.416 1.319 1.00 0.00 C ATOM 573 O HIS A 35 -5.859 15.080 2.358 1.00 0.00 O ATOM 574 CB HIS A 35 -7.836 12.936 1.481 1.00 0.00 C ATOM 575 CG HIS A 35 -8.556 12.735 0.173 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.240 13.681 -0.560 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.664 11.543 -0.488 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.721 13.077 -1.658 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.411 11.766 -1.652 1.00 0.00 N ATOM 0 H HIS A 35 -6.348 12.109 3.258 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.038 12.453 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.112 12.133 2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.174 13.869 1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.248 10.599 -0.170 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.279 13.573 -2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.669 11.073 -2.355 1.00 0.00 H new ATOM 587 N PRO A 36 -5.482 14.992 0.150 1.00 0.00 N ATOM 588 CA PRO A 36 -4.906 16.336 0.085 1.00 0.00 C ATOM 589 C PRO A 36 -5.933 17.391 0.515 1.00 0.00 C ATOM 590 O PRO A 36 -5.588 18.480 0.978 1.00 0.00 O ATOM 591 CB PRO A 36 -4.438 16.492 -1.363 1.00 0.00 C ATOM 592 CG PRO A 36 -5.319 15.513 -2.141 1.00 0.00 C ATOM 593 CD PRO A 36 -5.497 14.364 -1.158 1.00 0.00 C ATOM 0 HA PRO A 36 -4.071 16.478 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.568 17.515 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.381 16.250 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.274 15.960 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.841 15.185 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.434 13.835 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.695 13.632 -1.255 1.00 0.00 H new ATOM 601 N ASP A 37 -7.208 17.021 0.431 1.00 0.00 N ATOM 602 CA ASP A 37 -8.376 17.811 0.766 1.00 0.00 C ATOM 603 C ASP A 37 -8.578 17.972 2.283 1.00 0.00 C ATOM 604 O ASP A 37 -9.395 18.794 2.703 1.00 0.00 O ATOM 605 CB ASP A 37 -9.583 17.121 0.117 1.00 0.00 C ATOM 606 CG ASP A 37 -10.513 18.106 -0.579 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.153 18.513 -1.711 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.618 18.380 -0.066 1.00 0.00 O ATOM 0 H ASP A 37 -7.464 16.090 0.102 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.248 18.825 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.231 16.385 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.140 16.577 0.880 1.00 0.00 H new ATOM 613 N LYS A 38 -7.875 17.199 3.126 1.00 0.00 N ATOM 614 CA LYS A 38 -7.891 17.295 4.595 1.00 0.00 C ATOM 615 C LYS A 38 -6.504 17.273 5.224 1.00 0.00 C ATOM 616 O LYS A 38 -6.380 17.507 6.430 1.00 0.00 O ATOM 617 CB LYS A 38 -8.693 16.112 5.163 1.00 0.00 C ATOM 618 CG LYS A 38 -10.190 16.382 5.065 1.00 0.00 C ATOM 619 CD LYS A 38 -10.680 17.384 6.122 1.00 0.00 C ATOM 620 CE LYS A 38 -11.619 18.445 5.533 1.00 0.00 C ATOM 621 NZ LYS A 38 -11.989 19.487 6.518 1.00 0.00 N ATOM 0 H LYS A 38 -7.256 16.461 2.790 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.344 18.256 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.446 15.202 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.416 15.944 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.422 16.765 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.733 15.444 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.197 16.846 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.821 17.876 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.138 18.915 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.523 17.961 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.624 20.178 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.473 19.045 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.130 19.970 6.851 1.00 0.00 H new ATOM 635 N ASN A 39 -5.480 16.937 4.456 1.00 0.00 N ATOM 636 CA ASN A 39 -4.124 16.712 4.904 1.00 0.00 C ATOM 637 C ASN A 39 -3.225 17.387 3.868 1.00 0.00 C ATOM 638 O ASN A 39 -2.844 16.767 2.882 1.00 0.00 O ATOM 639 CB ASN A 39 -3.871 15.206 5.057 1.00 0.00 C ATOM 640 CG ASN A 39 -2.409 14.928 5.219 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.760 14.611 4.243 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.873 15.030 6.426 1.00 0.00 N ATOM 0 H ASN A 39 -5.583 16.808 3.449 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.919 17.137 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.416 14.827 5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.252 14.678 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.880 14.839 6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.453 15.299 7.221 1.00 0.00 H new ATOM 649 N PRO A 40 -2.952 18.693 4.001 1.00 0.00 N ATOM 650 CA PRO A 40 -2.142 19.407 3.020 1.00 0.00 C ATOM 651 C PRO A 40 -0.654 19.014 3.053 1.00 0.00 C ATOM 652 O PRO A 40 0.118 19.486 2.220 1.00 0.00 O ATOM 653 CB PRO A 40 -2.337 20.887 3.349 1.00 0.00 C ATOM 654 CG PRO A 40 -2.707 20.911 4.830 1.00 0.00 C ATOM 655 CD PRO A 40 -3.425 19.583 5.052 1.00 0.00 C ATOM 0 HA PRO A 40 -2.458 19.158 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.428 21.458 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.124 21.328 2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.822 20.997 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.351 21.758 5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.200 19.177 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.506 19.710 4.999 1.00 0.00 H new ATOM 663 N ASN A 41 -0.207 18.233 4.038 1.00 0.00 N ATOM 664 CA ASN A 41 1.198 18.013 4.372 1.00 0.00 C ATOM 665 C ASN A 41 1.711 16.647 3.933 1.00 0.00 C ATOM 666 O ASN A 41 2.901 16.490 3.680 1.00 0.00 O ATOM 667 CB ASN A 41 1.373 18.104 5.895 1.00 0.00 C ATOM 668 CG ASN A 41 0.549 19.212 6.518 1.00 0.00 C ATOM 669 OD1 ASN A 41 -0.611 18.979 6.847 1.00 0.00 O ATOM 670 ND2 ASN A 41 1.056 20.427 6.599 1.00 0.00 N ATOM 0 H ASN A 41 -0.841 17.717 4.648 1.00 0.00 H new ATOM 0 HA ASN A 41 1.767 18.778 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.092 17.152 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.426 18.267 6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.482 21.198 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.022 20.596 6.320 1.00 0.00 H new ATOM 677 N GLU A 42 0.848 15.639 3.852 1.00 0.00 N ATOM 678 CA GLU A 42 1.175 14.243 3.559 1.00 0.00 C ATOM 679 C GLU A 42 0.501 13.834 2.228 1.00 0.00 C ATOM 680 O GLU A 42 0.391 12.651 1.916 1.00 0.00 O ATOM 681 CB GLU A 42 0.912 13.357 4.809 1.00 0.00 C ATOM 682 CG GLU A 42 2.010 13.569 5.868 1.00 0.00 C ATOM 683 CD GLU A 42 1.777 12.888 7.227 1.00 0.00 C ATOM 684 OE1 GLU A 42 0.634 12.899 7.736 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.734 12.291 7.778 1.00 0.00 O ATOM 0 H GLU A 42 -0.152 15.779 3.996 1.00 0.00 H new ATOM 0 HA GLU A 42 2.238 14.089 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.062 13.600 5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.880 12.307 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.954 13.208 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.123 14.640 6.035 1.00 0.00 H new ATOM 692 N GLY A 43 0.129 14.808 1.386 1.00 0.00 N ATOM 693 CA GLY A 43 -0.462 14.590 0.069 1.00 0.00 C ATOM 694 C GLY A 43 0.463 13.877 -0.930 1.00 0.00 C ATOM 695 O GLY A 43 -0.043 13.200 -1.830 1.00 0.00 O ATOM 0 H GLY A 43 0.236 15.796 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.373 14.003 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.755 15.553 -0.349 1.00 0.00 H new ATOM 699 N GLU A 44 1.794 13.958 -0.799 1.00 0.00 N ATOM 700 CA GLU A 44 2.708 13.106 -1.569 1.00 0.00 C ATOM 701 C GLU A 44 2.877 11.747 -0.895 1.00 0.00 C ATOM 702 O GLU A 44 3.194 10.763 -1.562 1.00 0.00 O ATOM 703 CB GLU A 44 4.098 13.727 -1.730 1.00 0.00 C ATOM 704 CG GLU A 44 4.219 14.601 -2.978 1.00 0.00 C ATOM 705 CD GLU A 44 5.697 14.896 -3.216 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.288 15.644 -2.394 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.295 14.338 -4.158 1.00 0.00 O ATOM 0 H GLU A 44 2.262 14.606 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 44 2.255 12.996 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.326 14.327 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.842 12.932 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.790 14.092 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.663 15.529 -2.847 1.00 0.00 H new ATOM 714 N LYS A 45 2.621 11.644 0.413 1.00 0.00 N ATOM 715 CA LYS A 45 2.613 10.345 1.075 1.00 0.00 C ATOM 716 C LYS A 45 1.509 9.469 0.488 1.00 0.00 C ATOM 717 O LYS A 45 1.651 8.248 0.496 1.00 0.00 O ATOM 718 CB LYS A 45 2.400 10.524 2.577 1.00 0.00 C ATOM 719 CG LYS A 45 2.935 9.327 3.366 1.00 0.00 C ATOM 720 CD LYS A 45 2.136 9.131 4.657 1.00 0.00 C ATOM 721 CE LYS A 45 2.417 10.249 5.649 1.00 0.00 C ATOM 722 NZ LYS A 45 3.668 10.078 6.399 1.00 0.00 N ATOM 0 H LYS A 45 2.420 12.436 1.024 1.00 0.00 H new ATOM 0 HA LYS A 45 3.574 9.858 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.900 11.434 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.337 10.651 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.876 8.426 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.987 9.482 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.071 9.103 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.392 8.171 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.453 11.197 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.588 10.313 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.742 10.820 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.673 9.144 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.476 10.148 5.748 1.00 0.00 H new ATOM 736 N PHE A 46 0.448 10.074 -0.061 1.00 0.00 N ATOM 737 CA PHE A 46 -0.535 9.388 -0.893 1.00 0.00 C ATOM 738 C PHE A 46 0.171 8.550 -1.958 1.00 0.00 C ATOM 739 O PHE A 46 -0.132 7.370 -2.093 1.00 0.00 O ATOM 740 CB PHE A 46 -1.524 10.369 -1.545 1.00 0.00 C ATOM 741 CG PHE A 46 -2.933 9.817 -1.722 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.168 8.577 -2.359 1.00 0.00 C ATOM 743 CD2 PHE A 46 -4.030 10.570 -1.268 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.477 8.096 -2.529 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.340 10.102 -1.462 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.565 8.866 -2.090 1.00 0.00 C ATOM 0 H PHE A 46 0.250 11.067 0.065 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.114 8.730 -0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.574 11.273 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.136 10.662 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.333 7.994 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.865 11.513 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.645 7.137 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.178 10.695 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.574 8.509 -2.235 1.00 0.00 H new ATOM 756 N LYS A 47 1.139 9.132 -2.673 1.00 0.00 N ATOM 757 CA LYS A 47 1.866 8.454 -3.733 1.00 0.00 C ATOM 758 C LYS A 47 2.532 7.167 -3.245 1.00 0.00 C ATOM 759 O LYS A 47 2.502 6.164 -3.952 1.00 0.00 O ATOM 760 CB LYS A 47 2.879 9.415 -4.376 1.00 0.00 C ATOM 761 CG LYS A 47 3.027 9.104 -5.866 1.00 0.00 C ATOM 762 CD LYS A 47 4.179 9.895 -6.498 1.00 0.00 C ATOM 763 CE LYS A 47 4.323 9.500 -7.971 1.00 0.00 C ATOM 764 NZ LYS A 47 5.589 9.976 -8.564 1.00 0.00 N ATOM 0 H LYS A 47 1.437 10.096 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 47 1.148 8.152 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.549 10.445 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.845 9.323 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.202 8.036 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.096 9.341 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.988 10.965 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.108 9.694 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.270 8.415 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.485 9.908 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.637 9.683 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.631 11.014 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.391 9.567 -8.044 1.00 0.00 H new ATOM 778 N GLN A 48 3.097 7.161 -2.036 1.00 0.00 N ATOM 779 CA GLN A 48 3.646 5.950 -1.436 1.00 0.00 C ATOM 780 C GLN A 48 2.563 4.873 -1.258 1.00 0.00 C ATOM 781 O GLN A 48 2.873 3.696 -1.472 1.00 0.00 O ATOM 782 CB GLN A 48 4.330 6.282 -0.095 1.00 0.00 C ATOM 783 CG GLN A 48 5.820 6.635 -0.206 1.00 0.00 C ATOM 784 CD GLN A 48 6.694 5.390 -0.090 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.273 5.119 0.960 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.787 4.594 -1.144 1.00 0.00 N ATOM 0 H GLN A 48 3.185 7.992 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 48 4.397 5.543 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.806 7.118 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.221 5.428 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.009 7.127 -1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.087 7.344 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.300 4.833 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.345 3.742 -1.092 1.00 0.00 H new ATOM 795 N ILE A 49 1.326 5.265 -0.912 1.00 0.00 N ATOM 796 CA ILE A 49 0.194 4.352 -0.747 1.00 0.00 C ATOM 797 C ILE A 49 -0.079 3.710 -2.108 1.00 0.00 C ATOM 798 O ILE A 49 -0.075 2.487 -2.226 1.00 0.00 O ATOM 799 CB ILE A 49 -1.110 5.026 -0.219 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.915 6.089 0.874 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.087 3.965 0.312 1.00 0.00 C ATOM 802 CD1 ILE A 49 -2.217 6.779 1.291 1.00 0.00 C ATOM 0 H ILE A 49 1.086 6.241 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 49 0.470 3.623 0.014 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.507 5.548 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.464 5.621 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.212 6.842 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.991 4.453 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.346 3.274 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.618 3.414 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.006 7.517 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.658 7.276 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.915 6.036 1.678 1.00 0.00 H new ATOM 814 N SER A 50 -0.351 4.510 -3.141 1.00 0.00 N ATOM 815 CA SER A 50 -0.792 4.032 -4.426 1.00 0.00 C ATOM 816 C SER A 50 0.283 3.169 -5.080 1.00 0.00 C ATOM 817 O SER A 50 -0.028 2.064 -5.515 1.00 0.00 O ATOM 818 CB SER A 50 -1.196 5.237 -5.270 1.00 0.00 C ATOM 819 OG SER A 50 -0.368 6.358 -5.059 1.00 0.00 O ATOM 0 H SER A 50 -0.265 5.525 -3.093 1.00 0.00 H new ATOM 0 HA SER A 50 -1.662 3.383 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.165 4.962 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.227 5.505 -5.041 1.00 0.00 H new ATOM 0 HG SER A 50 -0.670 7.099 -5.625 1.00 0.00 H new ATOM 825 N GLN A 51 1.546 3.605 -5.071 1.00 0.00 N ATOM 826 CA GLN A 51 2.680 2.870 -5.622 1.00 0.00 C ATOM 827 C GLN A 51 2.797 1.464 -5.014 1.00 0.00 C ATOM 828 O GLN A 51 3.262 0.545 -5.687 1.00 0.00 O ATOM 829 CB GLN A 51 3.935 3.711 -5.318 1.00 0.00 C ATOM 830 CG GLN A 51 5.218 3.279 -6.033 1.00 0.00 C ATOM 831 CD GLN A 51 5.390 3.983 -7.378 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.545 5.199 -7.434 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.376 3.258 -8.484 1.00 0.00 N ATOM 0 H GLN A 51 1.811 4.504 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 51 2.555 2.722 -6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.727 4.748 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.115 3.685 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.077 3.496 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.201 2.200 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.247 2.248 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.495 3.709 -9.391 1.00 0.00 H new ATOM 842 N ALA A 52 2.421 1.291 -3.739 1.00 0.00 N ATOM 843 CA ALA A 52 2.411 -0.005 -3.071 1.00 0.00 C ATOM 844 C ALA A 52 1.162 -0.798 -3.428 1.00 0.00 C ATOM 845 O ALA A 52 1.243 -1.959 -3.829 1.00 0.00 O ATOM 846 CB ALA A 52 2.499 0.196 -1.550 1.00 0.00 C ATOM 0 H ALA A 52 2.113 2.059 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 52 3.276 -0.575 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.491 -0.774 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.422 0.721 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.646 0.784 -1.211 1.00 0.00 H new ATOM 852 N TYR A 53 0.001 -0.172 -3.255 1.00 0.00 N ATOM 853 CA TYR A 53 -1.297 -0.788 -3.463 1.00 0.00 C ATOM 854 C TYR A 53 -1.458 -1.263 -4.910 1.00 0.00 C ATOM 855 O TYR A 53 -2.184 -2.220 -5.162 1.00 0.00 O ATOM 856 CB TYR A 53 -2.372 0.229 -3.066 1.00 0.00 C ATOM 857 CG TYR A 53 -3.789 -0.297 -3.099 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.225 -1.213 -2.122 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.676 0.152 -4.095 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.541 -1.702 -2.157 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.997 -0.322 -4.132 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.425 -1.262 -3.169 1.00 0.00 C ATOM 863 OH TYR A 53 -7.674 -1.793 -3.249 1.00 0.00 O ATOM 0 H TYR A 53 -0.060 0.802 -2.959 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.397 -1.678 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.157 0.589 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.303 1.088 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.548 -1.539 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.339 0.864 -4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.876 -2.411 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.680 0.029 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.156 -1.384 -3.998 1.00 0.00 H new ATOM 873 N GLU A 54 -0.750 -0.644 -5.855 1.00 0.00 N ATOM 874 CA GLU A 54 -0.759 -0.969 -7.275 1.00 0.00 C ATOM 875 C GLU A 54 -0.263 -2.405 -7.475 1.00 0.00 C ATOM 876 O GLU A 54 -0.969 -3.239 -8.046 1.00 0.00 O ATOM 877 CB GLU A 54 0.123 0.065 -7.999 1.00 0.00 C ATOM 878 CG GLU A 54 0.213 -0.104 -9.519 1.00 0.00 C ATOM 879 CD GLU A 54 -1.082 0.225 -10.271 1.00 0.00 C ATOM 880 OE1 GLU A 54 -1.780 1.203 -9.909 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.363 -0.430 -11.302 1.00 0.00 O ATOM 0 H GLU A 54 -0.127 0.133 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.765 -0.922 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.261 1.062 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.130 0.014 -7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.011 0.536 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.497 -1.133 -9.742 1.00 0.00 H new ATOM 888 N VAL A 55 0.931 -2.712 -6.954 1.00 0.00 N ATOM 889 CA VAL A 55 1.584 -4.016 -7.094 1.00 0.00 C ATOM 890 C VAL A 55 0.724 -5.125 -6.470 1.00 0.00 C ATOM 891 O VAL A 55 0.767 -6.269 -6.919 1.00 0.00 O ATOM 892 CB VAL A 55 3.010 -3.968 -6.483 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.802 -5.262 -6.739 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.818 -2.788 -7.056 1.00 0.00 C ATOM 0 H VAL A 55 1.481 -2.045 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 55 1.687 -4.251 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 55 2.871 -3.846 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.792 -5.177 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.274 -6.106 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.902 -5.421 -7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.813 -2.778 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.905 -2.898 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.308 -1.852 -6.826 1.00 0.00 H new ATOM 904 N LEU A 56 -0.084 -4.786 -5.464 1.00 0.00 N ATOM 905 CA LEU A 56 -0.883 -5.738 -4.705 1.00 0.00 C ATOM 906 C LEU A 56 -2.335 -5.801 -5.185 1.00 0.00 C ATOM 907 O LEU A 56 -3.071 -6.669 -4.709 1.00 0.00 O ATOM 908 CB LEU A 56 -0.805 -5.380 -3.211 1.00 0.00 C ATOM 909 CG LEU A 56 0.625 -5.456 -2.632 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.645 -4.900 -1.210 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.157 -6.892 -2.608 1.00 0.00 C ATOM 0 H LEU A 56 -0.201 -3.822 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.471 -6.734 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.194 -4.372 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.452 -6.054 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 56 1.267 -4.861 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.658 -4.958 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.319 -3.860 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.027 -5.484 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.165 -6.900 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.506 -7.511 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.179 -7.289 -3.623 1.00 0.00 H new ATOM 923 N SER A 57 -2.769 -4.924 -6.094 1.00 0.00 N ATOM 924 CA SER A 57 -4.139 -4.915 -6.596 1.00 0.00 C ATOM 925 C SER A 57 -4.266 -5.694 -7.900 1.00 0.00 C ATOM 926 O SER A 57 -5.259 -6.404 -8.076 1.00 0.00 O ATOM 927 CB SER A 57 -4.627 -3.481 -6.764 1.00 0.00 C ATOM 928 OG SER A 57 -4.726 -2.892 -5.487 1.00 0.00 O ATOM 0 H SER A 57 -2.177 -4.200 -6.501 1.00 0.00 H new ATOM 0 HA SER A 57 -4.771 -5.415 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.936 -2.916 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.595 -3.466 -7.265 1.00 0.00 H new ATOM 0 HG SER A 57 -3.828 -2.708 -5.141 1.00 0.00 H new ATOM 934 N ASP A 58 -3.274 -5.622 -8.786 1.00 0.00 N ATOM 935 CA ASP A 58 -3.210 -6.547 -9.910 1.00 0.00 C ATOM 936 C ASP A 58 -2.979 -7.948 -9.341 1.00 0.00 C ATOM 937 O ASP A 58 -2.201 -8.104 -8.389 1.00 0.00 O ATOM 938 CB ASP A 58 -2.052 -6.183 -10.832 1.00 0.00 C ATOM 939 CG ASP A 58 -2.204 -6.854 -12.186 1.00 0.00 C ATOM 940 OD1 ASP A 58 -2.815 -6.256 -13.097 1.00 0.00 O ATOM 941 OD2 ASP A 58 -1.638 -7.949 -12.378 1.00 0.00 O ATOM 0 H ASP A 58 -2.515 -4.942 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.135 -6.502 -10.485 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.011 -5.101 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.110 -6.486 -10.376 1.00 0.00 H new ATOM 946 N ALA A 59 -3.639 -8.978 -9.871 1.00 0.00 N ATOM 947 CA ALA A 59 -3.398 -10.324 -9.373 1.00 0.00 C ATOM 948 C ALA A 59 -2.090 -10.878 -9.934 1.00 0.00 C ATOM 949 O ALA A 59 -1.453 -11.675 -9.253 1.00 0.00 O ATOM 950 CB ALA A 59 -4.568 -11.249 -9.704 1.00 0.00 C ATOM 0 H ALA A 59 -4.324 -8.908 -10.623 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.310 -10.273 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.362 -12.248 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.478 -10.864 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.701 -11.295 -10.785 1.00 0.00 H new ATOM 956 N LYS A 60 -1.657 -10.462 -11.131 1.00 0.00 N ATOM 957 CA LYS A 60 -0.461 -10.969 -11.794 1.00 0.00 C ATOM 958 C LYS A 60 0.775 -10.269 -11.270 1.00 0.00 C ATOM 959 O LYS A 60 1.827 -10.894 -11.148 1.00 0.00 O ATOM 960 CB LYS A 60 -0.575 -10.747 -13.305 1.00 0.00 C ATOM 961 CG LYS A 60 -0.288 -12.064 -14.027 1.00 0.00 C ATOM 962 CD LYS A 60 -0.488 -11.901 -15.529 1.00 0.00 C ATOM 963 CE LYS A 60 -0.238 -13.237 -16.229 1.00 0.00 C ATOM 964 NZ LYS A 60 -0.736 -13.233 -17.615 1.00 0.00 N ATOM 0 H LYS A 60 -2.143 -9.748 -11.673 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.374 -12.035 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.573 -10.389 -13.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.130 -9.980 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.734 -12.383 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.948 -12.845 -13.648 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.501 -11.555 -15.736 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.193 -11.143 -15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.830 -13.453 -16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.725 -14.036 -15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.547 -14.157 -18.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.760 -13.052 -17.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.253 -12.487 -18.155 1.00 0.00 H new ATOM 978 N LYS A 61 0.677 -8.972 -10.967 1.00 0.00 N ATOM 979 CA LYS A 61 1.728 -8.336 -10.173 1.00 0.00 C ATOM 980 C LYS A 61 1.854 -9.074 -8.844 1.00 0.00 C ATOM 981 O LYS A 61 2.969 -9.482 -8.531 1.00 0.00 O ATOM 982 CB LYS A 61 1.563 -6.822 -9.992 1.00 0.00 C ATOM 983 CG LYS A 61 1.641 -6.058 -11.324 1.00 0.00 C ATOM 984 CD LYS A 61 1.837 -4.542 -11.129 1.00 0.00 C ATOM 985 CE LYS A 61 3.202 -4.098 -10.554 1.00 0.00 C ATOM 986 NZ LYS A 61 4.338 -4.150 -11.505 1.00 0.00 N ATOM 0 H LYS A 61 -0.090 -8.361 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 61 2.660 -8.422 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.604 -6.619 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.337 -6.453 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.465 -6.454 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.727 -6.232 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.695 -4.052 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.052 -4.177 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.107 -3.077 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.439 -4.728 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.093 -3.512 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.704 -5.122 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.015 -3.852 -12.448 1.00 0.00 H new ATOM 1000 N ARG A 62 0.757 -9.336 -8.113 1.00 0.00 N ATOM 1001 CA ARG A 62 0.874 -10.097 -6.868 1.00 0.00 C ATOM 1002 C ARG A 62 1.455 -11.499 -7.093 1.00 0.00 C ATOM 1003 O ARG A 62 2.315 -11.904 -6.314 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.421 -10.112 -6.042 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.171 -10.885 -4.732 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.115 -10.531 -3.583 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.261 -11.685 -2.678 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.244 -12.595 -2.724 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -3.274 -12.441 -3.553 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -2.210 -13.658 -1.933 1.00 0.00 N ATOM 0 H ARG A 62 -0.189 -9.041 -8.355 1.00 0.00 H new ATOM 0 HA ARG A 62 1.599 -9.560 -6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.740 -9.093 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.224 -10.582 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.255 -11.952 -4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.854 -10.702 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.727 -9.674 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.089 -10.242 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.552 -11.801 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.321 -11.624 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.016 -13.140 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.433 -13.787 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.961 -14.347 -1.972 1.00 0.00 H new ATOM 1024 N GLU A 63 1.055 -12.221 -8.146 1.00 0.00 N ATOM 1025 CA GLU A 63 1.556 -13.572 -8.423 1.00 0.00 C ATOM 1026 C GLU A 63 3.077 -13.594 -8.496 1.00 0.00 C ATOM 1027 O GLU A 63 3.686 -14.585 -8.085 1.00 0.00 O ATOM 1028 CB GLU A 63 1.017 -14.137 -9.751 1.00 0.00 C ATOM 1029 CG GLU A 63 -0.354 -14.804 -9.601 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.887 -15.498 -10.861 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -0.386 -15.257 -11.989 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.844 -16.289 -10.709 1.00 0.00 O ATOM 0 H GLU A 63 0.376 -11.886 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 63 1.204 -14.190 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.945 -13.331 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.728 -14.863 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.296 -15.539 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.075 -14.048 -9.290 1.00 0.00 H new ATOM 1039 N LEU A 64 3.686 -12.538 -9.042 1.00 0.00 N ATOM 1040 CA LEU A 64 5.129 -12.489 -9.191 1.00 0.00 C ATOM 1041 C LEU A 64 5.779 -11.850 -7.972 1.00 0.00 C ATOM 1042 O LEU A 64 6.852 -12.289 -7.587 1.00 0.00 O ATOM 1043 CB LEU A 64 5.545 -11.795 -10.496 1.00 0.00 C ATOM 1044 CG LEU A 64 5.531 -12.783 -11.679 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.126 -13.132 -12.161 1.00 0.00 C ATOM 1046 CD2 LEU A 64 6.335 -12.230 -12.848 1.00 0.00 C ATOM 0 H LEU A 64 3.197 -11.711 -9.385 1.00 0.00 H new ATOM 0 HA LEU A 64 5.492 -13.515 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.868 -10.966 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.543 -11.371 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 64 5.985 -13.701 -11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.191 -13.831 -12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.565 -13.590 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.617 -12.225 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.313 -12.942 -13.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.901 -11.284 -13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.367 -12.068 -12.536 1.00 0.00 H new ATOM 1058 N TYR A 65 5.162 -10.854 -7.341 1.00 0.00 N ATOM 1059 CA TYR A 65 5.566 -10.292 -6.050 1.00 0.00 C ATOM 1060 C TYR A 65 5.757 -11.388 -5.001 1.00 0.00 C ATOM 1061 O TYR A 65 6.716 -11.349 -4.234 1.00 0.00 O ATOM 1062 CB TYR A 65 4.507 -9.278 -5.614 1.00 0.00 C ATOM 1063 CG TYR A 65 4.594 -8.823 -4.177 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.529 -7.844 -3.809 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.734 -9.378 -3.208 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.608 -7.411 -2.477 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.794 -8.941 -1.875 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.737 -7.951 -1.505 1.00 0.00 C ATOM 1069 OH TYR A 65 4.806 -7.516 -0.221 1.00 0.00 O ATOM 0 H TYR A 65 4.336 -10.397 -7.727 1.00 0.00 H new ATOM 0 HA TYR A 65 6.529 -9.792 -6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.580 -8.402 -6.259 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.522 -9.714 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.189 -7.423 -4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.026 -10.143 -3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.335 -6.664 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.125 -9.357 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 65 3.994 -7.783 0.259 1.00 0.00 H new ATOM 1079 N ASP A 66 4.891 -12.398 -5.019 1.00 0.00 N ATOM 1080 CA ASP A 66 4.905 -13.558 -4.141 1.00 0.00 C ATOM 1081 C ASP A 66 6.258 -14.269 -4.092 1.00 0.00 C ATOM 1082 O ASP A 66 6.684 -14.676 -3.009 1.00 0.00 O ATOM 1083 CB ASP A 66 3.851 -14.534 -4.649 1.00 0.00 C ATOM 1084 CG ASP A 66 3.731 -15.760 -3.755 1.00 0.00 C ATOM 1085 OD1 ASP A 66 2.973 -15.725 -2.760 1.00 0.00 O ATOM 1086 OD2 ASP A 66 4.299 -16.811 -4.128 1.00 0.00 O ATOM 0 H ASP A 66 4.119 -12.428 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 66 4.700 -13.213 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.886 -14.030 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.105 -14.847 -5.662 1.00 0.00 H new ATOM 1091 N LYS A 67 6.927 -14.406 -5.245 1.00 0.00 N ATOM 1092 CA LYS A 67 8.121 -15.251 -5.385 1.00 0.00 C ATOM 1093 C LYS A 67 9.300 -14.610 -6.127 1.00 0.00 C ATOM 1094 O LYS A 67 10.340 -15.253 -6.265 1.00 0.00 O ATOM 1095 CB LYS A 67 7.720 -16.590 -6.036 1.00 0.00 C ATOM 1096 CG LYS A 67 7.430 -16.485 -7.546 1.00 0.00 C ATOM 1097 CD LYS A 67 7.254 -17.873 -8.176 1.00 0.00 C ATOM 1098 CE LYS A 67 7.319 -17.745 -9.701 1.00 0.00 C ATOM 1099 NZ LYS A 67 7.451 -19.049 -10.378 1.00 0.00 N ATOM 0 H LYS A 67 6.655 -13.934 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 67 8.500 -15.406 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.520 -17.314 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.835 -16.978 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.528 -15.894 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.247 -15.960 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.033 -18.548 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.299 -18.304 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.419 -17.245 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.164 -17.112 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.490 -18.904 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.323 -19.518 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.632 -19.646 -10.144 1.00 0.00 H new ATOM 1113 N GLY A 68 9.155 -13.401 -6.666 1.00 0.00 N ATOM 1114 CA GLY A 68 10.068 -12.837 -7.653 1.00 0.00 C ATOM 1115 C GLY A 68 10.196 -11.322 -7.539 1.00 0.00 C ATOM 1116 O GLY A 68 11.318 -10.828 -7.466 1.00 0.00 O ATOM 0 H GLY A 68 8.386 -12.777 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.052 -13.291 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.719 -13.094 -8.653 1.00 0.00 H new ATOM 1120 N GLY A 69 9.083 -10.571 -7.574 1.00 0.00 N ATOM 1121 CA GLY A 69 9.029 -9.159 -7.167 1.00 0.00 C ATOM 1122 C GLY A 69 9.725 -8.153 -8.085 1.00 0.00 C ATOM 1123 O GLY A 69 9.526 -6.950 -7.938 1.00 0.00 O ATOM 0 H GLY A 69 8.184 -10.933 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.982 -8.870 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.469 -9.074 -6.173 1.00 0.00 H new ATOM 1127 N GLU A 70 10.499 -8.611 -9.058 1.00 0.00 N ATOM 1128 CA GLU A 70 11.383 -7.802 -9.885 1.00 0.00 C ATOM 1129 C GLU A 70 10.661 -7.088 -11.053 1.00 0.00 C ATOM 1130 O GLU A 70 11.295 -6.800 -12.069 1.00 0.00 O ATOM 1131 CB GLU A 70 12.526 -8.727 -10.365 1.00 0.00 C ATOM 1132 CG GLU A 70 13.905 -8.157 -10.007 1.00 0.00 C ATOM 1133 CD GLU A 70 14.337 -8.578 -8.601 1.00 0.00 C ATOM 1134 OE1 GLU A 70 13.998 -7.906 -7.598 1.00 0.00 O ATOM 1135 OE2 GLU A 70 15.042 -9.603 -8.487 1.00 0.00 O ATOM 0 H GLU A 70 10.529 -9.601 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 70 11.781 -6.978 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.411 -9.712 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.457 -8.861 -11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.642 -8.500 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.878 -7.069 -10.070 1.00 0.00 H new ATOM 1142 N GLN A 71 9.336 -6.890 -10.986 1.00 0.00 N ATOM 1143 CA GLN A 71 8.521 -6.393 -12.103 1.00 0.00 C ATOM 1144 C GLN A 71 7.168 -5.852 -11.628 1.00 0.00 C ATOM 1145 O GLN A 71 6.179 -5.924 -12.397 1.00 0.00 O ATOM 1146 CB GLN A 71 8.363 -7.507 -13.158 1.00 0.00 C ATOM 1147 CG GLN A 71 7.816 -8.832 -12.591 1.00 0.00 C ATOM 1148 CD GLN A 71 8.913 -9.867 -12.343 1.00 0.00 C ATOM 1149 OE1 GLN A 71 9.652 -10.229 -13.254 1.00 0.00 O ATOM 1150 NE2 GLN A 71 9.021 -10.425 -11.148 1.00 0.00 N ATOM 0 H GLN A 71 8.793 -7.073 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 71 9.035 -5.549 -12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.695 -7.157 -13.945 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.331 -7.694 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.292 -8.633 -11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.084 -9.244 -13.285 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.409 -10.127 -10.389 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.717 -11.153 -10.986 1.00 0.00 H new TER 1159 GLN A 71