USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= 0.421 K(o=0.42,f=-4.7!) USER MOD Set 2.1: A 8 HIS : no HE2:sc= -0.157 X(o=-0.26,f=-0.57) USER MOD Set 2.2: A 26 THR OG1 : rot 160:sc= -0.107 USER MOD Set 3.1: A 22 THR OG1 : rot -115:sc= 1 USER MOD Set 3.2: A 79 LYS NZ :NH3+ -150:sc= 0.291 (180deg=-0.962) USER MOD Single : A 7 ASN : amide:sc= 0.242 K(o=0.24,f=-3.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 94:sc= -1.02 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0.971) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 130:sc= 0.432 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.129 (180deg=0.127) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 37 SER OG : rot 84:sc= 1.23 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 163:sc= -0.0659 (180deg=-0.51) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0149 (180deg=-0.191) USER MOD Single : A 75 SER OG : rot 180:sc=0.000398 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.85) USER MOD Single : A 84 SER OG : rot 71:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 7 0.584 -13.599 -5.973 1.00 0.00 N ATOM 19 CA ASN A 7 1.519 -12.483 -5.949 1.00 0.00 C ATOM 20 C ASN A 7 0.893 -11.279 -5.262 1.00 0.00 C ATOM 21 O ASN A 7 -0.059 -10.696 -5.768 1.00 0.00 O ATOM 22 CB ASN A 7 1.946 -12.109 -7.371 1.00 0.00 C ATOM 23 CG ASN A 7 2.521 -13.285 -8.132 1.00 0.00 C ATOM 24 OD1 ASN A 7 1.807 -13.984 -8.853 1.00 0.00 O ATOM 25 ND2 ASN A 7 3.817 -13.509 -7.983 1.00 0.00 N ATOM 0 HA ASN A 7 2.401 -12.790 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.086 -11.715 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.688 -11.312 -7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.260 -14.285 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.372 -12.906 -7.376 1.00 0.00 H new ATOM 32 N HIS A 8 1.425 -10.912 -4.106 1.00 0.00 N ATOM 33 CA HIS A 8 0.867 -9.809 -3.336 1.00 0.00 C ATOM 34 C HIS A 8 1.747 -8.573 -3.458 1.00 0.00 C ATOM 35 O HIS A 8 2.837 -8.522 -2.887 1.00 0.00 O ATOM 36 CB HIS A 8 0.732 -10.189 -1.860 1.00 0.00 C ATOM 37 CG HIS A 8 0.032 -11.492 -1.617 1.00 0.00 C ATOM 38 ND1 HIS A 8 0.622 -12.539 -0.941 1.00 0.00 N ATOM 39 CD2 HIS A 8 -1.213 -11.912 -1.945 1.00 0.00 C ATOM 40 CE1 HIS A 8 -0.229 -13.546 -0.867 1.00 0.00 C ATOM 41 NE2 HIS A 8 -1.350 -13.191 -1.466 1.00 0.00 N ATOM 0 H HIS A 8 2.238 -11.358 -3.682 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.122 -9.590 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.727 -10.237 -1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.191 -9.398 -1.342 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.567 -12.536 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.959 -11.346 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.040 -14.499 -0.396 1.00 0.00 H new ATOM 50 N TYR A 9 1.278 -7.589 -4.210 1.00 0.00 N ATOM 51 CA TYR A 9 2.005 -6.337 -4.367 1.00 0.00 C ATOM 52 C TYR A 9 1.184 -5.180 -3.825 1.00 0.00 C ATOM 53 O TYR A 9 0.150 -4.838 -4.393 1.00 0.00 O ATOM 54 CB TYR A 9 2.315 -6.059 -5.841 1.00 0.00 C ATOM 55 CG TYR A 9 3.165 -7.104 -6.525 1.00 0.00 C ATOM 56 CD1 TYR A 9 4.551 -7.040 -6.482 1.00 0.00 C ATOM 57 CD2 TYR A 9 2.578 -8.145 -7.230 1.00 0.00 C ATOM 58 CE1 TYR A 9 5.328 -7.985 -7.124 1.00 0.00 C ATOM 59 CE2 TYR A 9 3.349 -9.093 -7.872 1.00 0.00 C ATOM 60 CZ TYR A 9 4.721 -9.010 -7.816 1.00 0.00 C ATOM 61 OH TYR A 9 5.487 -9.952 -8.461 1.00 0.00 O ATOM 0 H TYR A 9 0.397 -7.633 -4.722 1.00 0.00 H new ATOM 0 HA TYR A 9 2.939 -6.430 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.374 -5.967 -6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.821 -5.096 -5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.029 -6.239 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.501 -8.215 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.405 -7.921 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.877 -9.897 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 9 4.902 -10.605 -8.899 1.00 0.00 H new ATOM 71 N VAL A 10 1.634 -4.579 -2.736 1.00 0.00 N ATOM 72 CA VAL A 10 0.959 -3.407 -2.201 1.00 0.00 C ATOM 73 C VAL A 10 1.456 -2.165 -2.921 1.00 0.00 C ATOM 74 O VAL A 10 2.627 -1.796 -2.802 1.00 0.00 O ATOM 75 CB VAL A 10 1.189 -3.206 -0.685 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.285 -2.095 -0.172 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.958 -4.487 0.106 1.00 0.00 C ATOM 0 H VAL A 10 2.455 -4.879 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.108 -3.568 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 10 2.232 -2.925 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.450 -1.956 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.513 -1.168 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.757 -2.364 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.131 -4.297 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.068 -4.824 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.646 -5.258 -0.241 1.00 0.00 H new ATOM 87 N TYR A 11 0.578 -1.536 -3.679 1.00 0.00 N ATOM 88 CA TYR A 11 0.933 -0.320 -4.382 1.00 0.00 C ATOM 89 C TYR A 11 0.296 0.876 -3.696 1.00 0.00 C ATOM 90 O TYR A 11 -0.861 0.821 -3.272 1.00 0.00 O ATOM 91 CB TYR A 11 0.516 -0.390 -5.864 1.00 0.00 C ATOM 92 CG TYR A 11 -0.954 -0.679 -6.103 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.897 0.341 -6.091 1.00 0.00 C ATOM 94 CD2 TYR A 11 -1.396 -1.973 -6.344 1.00 0.00 C ATOM 95 CE1 TYR A 11 -3.237 0.081 -6.311 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.736 -2.241 -6.565 1.00 0.00 C ATOM 97 CZ TYR A 11 -3.653 -1.211 -6.546 1.00 0.00 C ATOM 98 OH TYR A 11 -4.989 -1.475 -6.762 1.00 0.00 O ATOM 0 H TYR A 11 -0.383 -1.846 -3.823 1.00 0.00 H new ATOM 0 HA TYR A 11 2.017 -0.207 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.767 0.557 -6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.107 -1.162 -6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.577 1.356 -5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.683 -2.784 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.955 0.888 -6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.062 -3.253 -6.752 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.112 -2.435 -6.913 1.00 0.00 H new ATOM 108 N ILE A 12 1.061 1.938 -3.543 1.00 0.00 N ATOM 109 CA ILE A 12 0.516 3.169 -3.020 1.00 0.00 C ATOM 110 C ILE A 12 0.720 4.285 -4.042 1.00 0.00 C ATOM 111 O ILE A 12 1.849 4.632 -4.414 1.00 0.00 O ATOM 112 CB ILE A 12 1.109 3.528 -1.627 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.269 4.614 -0.951 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.557 3.974 -1.727 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.723 4.945 0.457 1.00 0.00 C ATOM 0 H ILE A 12 2.054 1.972 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.554 3.038 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 12 1.081 2.624 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.305 5.519 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.772 4.291 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.933 4.215 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.156 3.171 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.623 4.856 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.082 5.722 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.661 4.052 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.754 5.299 0.433 1.00 0.00 H new ATOM 127 N LEU A 13 -0.385 4.795 -4.545 1.00 0.00 N ATOM 128 CA LEU A 13 -0.348 5.774 -5.613 1.00 0.00 C ATOM 129 C LEU A 13 -0.809 7.129 -5.117 1.00 0.00 C ATOM 130 O LEU A 13 -1.880 7.255 -4.530 1.00 0.00 O ATOM 131 CB LEU A 13 -1.234 5.321 -6.774 1.00 0.00 C ATOM 132 CG LEU A 13 -0.815 4.015 -7.449 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.852 3.607 -8.477 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.545 4.166 -8.106 1.00 0.00 C ATOM 0 H LEU A 13 -1.323 4.547 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 13 0.682 5.861 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.255 5.210 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.250 6.110 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.744 3.237 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.546 2.676 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.815 3.464 -7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.943 4.388 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.826 3.226 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.500 4.954 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.287 4.427 -7.351 1.00 0.00 H new ATOM 146 N GLU A 14 0.001 8.138 -5.345 1.00 0.00 N ATOM 147 CA GLU A 14 -0.369 9.492 -4.996 1.00 0.00 C ATOM 148 C GLU A 14 -1.336 10.024 -6.040 1.00 0.00 C ATOM 149 O GLU A 14 -1.000 10.113 -7.223 1.00 0.00 O ATOM 150 CB GLU A 14 0.866 10.381 -4.905 1.00 0.00 C ATOM 151 CG GLU A 14 0.569 11.776 -4.384 1.00 0.00 C ATOM 152 CD GLU A 14 1.821 12.589 -4.154 1.00 0.00 C ATOM 153 OE1 GLU A 14 2.442 12.441 -3.082 1.00 0.00 O ATOM 154 OE2 GLU A 14 2.193 13.380 -5.051 1.00 0.00 O ATOM 0 H GLU A 14 0.923 8.047 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.852 9.495 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.599 9.906 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.321 10.459 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.072 12.297 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.013 11.700 -3.450 1.00 0.00 H new ATOM 161 N CYS A 15 -2.541 10.341 -5.603 1.00 0.00 N ATOM 162 CA CYS A 15 -3.584 10.787 -6.507 1.00 0.00 C ATOM 163 C CYS A 15 -3.419 12.267 -6.832 1.00 0.00 C ATOM 164 O CYS A 15 -2.568 12.950 -6.259 1.00 0.00 O ATOM 165 CB CYS A 15 -4.957 10.530 -5.881 1.00 0.00 C ATOM 166 SG CYS A 15 -5.253 8.798 -5.451 1.00 0.00 S ATOM 0 H CYS A 15 -2.822 10.297 -4.623 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.505 10.224 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.056 11.139 -4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.730 10.859 -6.576 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.929 8.598 -4.208 1.00 0.00 H new ATOM 172 N LYS A 16 -4.254 12.752 -7.747 1.00 0.00 N ATOM 173 CA LYS A 16 -4.241 14.151 -8.176 1.00 0.00 C ATOM 174 C LYS A 16 -4.344 15.109 -6.985 1.00 0.00 C ATOM 175 O LYS A 16 -3.780 16.202 -7.003 1.00 0.00 O ATOM 176 CB LYS A 16 -5.418 14.392 -9.129 1.00 0.00 C ATOM 177 CG LYS A 16 -6.774 14.194 -8.464 1.00 0.00 C ATOM 178 CD LYS A 16 -7.928 14.295 -9.443 1.00 0.00 C ATOM 179 CE LYS A 16 -9.267 14.301 -8.714 1.00 0.00 C ATOM 180 NZ LYS A 16 -9.421 13.136 -7.795 1.00 0.00 N ATOM 0 H LYS A 16 -4.962 12.185 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.294 14.346 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.357 15.407 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.334 13.715 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.798 13.217 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.902 14.941 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.828 15.205 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.893 13.457 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.363 15.225 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.075 14.293 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.427 12.882 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.885 12.326 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.058 13.387 -6.853 1.00 0.00 H new ATOM 194 N ASP A 17 -5.052 14.681 -5.951 1.00 0.00 N ATOM 195 CA ASP A 17 -5.358 15.539 -4.812 1.00 0.00 C ATOM 196 C ASP A 17 -4.206 15.578 -3.816 1.00 0.00 C ATOM 197 O ASP A 17 -4.105 16.499 -3.008 1.00 0.00 O ATOM 198 CB ASP A 17 -6.630 15.049 -4.116 1.00 0.00 C ATOM 199 CG ASP A 17 -7.779 14.846 -5.083 1.00 0.00 C ATOM 200 OD1 ASP A 17 -8.529 15.808 -5.345 1.00 0.00 O ATOM 201 OD2 ASP A 17 -7.929 13.717 -5.600 1.00 0.00 O ATOM 0 H ASP A 17 -5.429 13.736 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.513 16.551 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.421 14.110 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.924 15.770 -3.354 1.00 0.00 H new ATOM 206 N GLY A 18 -3.331 14.583 -3.889 1.00 0.00 N ATOM 207 CA GLY A 18 -2.230 14.490 -2.946 1.00 0.00 C ATOM 208 C GLY A 18 -2.449 13.394 -1.922 1.00 0.00 C ATOM 209 O GLY A 18 -1.588 13.131 -1.082 1.00 0.00 O ATOM 0 H GLY A 18 -3.363 13.838 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.304 14.300 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.109 15.445 -2.434 1.00 0.00 H new ATOM 213 N SER A 19 -3.614 12.767 -1.982 1.00 0.00 N ATOM 214 CA SER A 19 -3.923 11.647 -1.110 1.00 0.00 C ATOM 215 C SER A 19 -3.274 10.381 -1.655 1.00 0.00 C ATOM 216 O SER A 19 -3.273 10.147 -2.868 1.00 0.00 O ATOM 217 CB SER A 19 -5.443 11.466 -1.005 1.00 0.00 C ATOM 218 OG SER A 19 -5.795 10.583 0.048 1.00 0.00 O ATOM 0 H SER A 19 -4.363 13.017 -2.628 1.00 0.00 H new ATOM 0 HA SER A 19 -3.529 11.846 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.914 12.435 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.829 11.080 -1.948 1.00 0.00 H new ATOM 0 HG SER A 19 -6.770 10.492 0.087 1.00 0.00 H new ATOM 224 N TRP A 20 -2.703 9.578 -0.771 1.00 0.00 N ATOM 225 CA TRP A 20 -2.055 8.347 -1.185 1.00 0.00 C ATOM 226 C TRP A 20 -3.047 7.194 -1.197 1.00 0.00 C ATOM 227 O TRP A 20 -3.681 6.889 -0.187 1.00 0.00 O ATOM 228 CB TRP A 20 -0.871 8.023 -0.276 1.00 0.00 C ATOM 229 CG TRP A 20 0.230 9.032 -0.361 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.622 9.714 -1.475 1.00 0.00 C ATOM 231 CD2 TRP A 20 1.088 9.462 0.700 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.668 10.549 -1.173 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.974 10.412 0.155 1.00 0.00 C ATOM 234 CE3 TRP A 20 1.194 9.141 2.058 1.00 0.00 C ATOM 235 CZ2 TRP A 20 2.953 11.040 0.920 1.00 0.00 C ATOM 236 CZ3 TRP A 20 2.167 9.765 2.813 1.00 0.00 C ATOM 237 CH2 TRP A 20 3.033 10.704 2.244 1.00 0.00 C ATOM 0 H TRP A 20 -2.676 9.757 0.233 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.679 8.489 -2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.219 7.961 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.477 7.041 -0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 20 0.174 9.612 -2.453 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.140 11.170 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.528 8.419 2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.624 11.765 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.261 9.524 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 20 3.782 11.175 2.864 1.00 0.00 H new ATOM 248 N TYR A 21 -3.152 6.545 -2.340 1.00 0.00 N ATOM 249 CA TYR A 21 -4.106 5.472 -2.541 1.00 0.00 C ATOM 250 C TYR A 21 -3.450 4.148 -2.203 1.00 0.00 C ATOM 251 O TYR A 21 -2.479 3.747 -2.844 1.00 0.00 O ATOM 252 CB TYR A 21 -4.585 5.481 -3.997 1.00 0.00 C ATOM 253 CG TYR A 21 -5.647 4.455 -4.323 1.00 0.00 C ATOM 254 CD1 TYR A 21 -6.989 4.714 -4.073 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.309 3.235 -4.895 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.962 3.785 -4.381 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.277 2.302 -5.204 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.601 2.582 -4.946 1.00 0.00 C ATOM 259 OH TYR A 21 -8.570 1.655 -5.258 1.00 0.00 O ATOM 0 H TYR A 21 -2.577 6.747 -3.158 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.968 5.613 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.974 6.472 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.727 5.314 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.275 5.657 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.272 3.014 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.001 4.000 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.998 1.357 -5.646 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.149 0.861 -5.650 1.00 0.00 H new ATOM 269 N THR A 22 -3.964 3.489 -1.182 1.00 0.00 N ATOM 270 CA THR A 22 -3.385 2.243 -0.714 1.00 0.00 C ATOM 271 C THR A 22 -4.220 1.054 -1.173 1.00 0.00 C ATOM 272 O THR A 22 -5.444 1.052 -1.031 1.00 0.00 O ATOM 273 CB THR A 22 -3.274 2.245 0.823 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.617 3.452 1.249 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.496 1.035 1.322 1.00 0.00 C ATOM 0 H THR A 22 -4.784 3.797 -0.659 1.00 0.00 H new ATOM 0 HA THR A 22 -2.386 2.152 -1.141 1.00 0.00 H new ATOM 0 HB THR A 22 -4.279 2.197 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.759 3.228 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.435 1.065 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.005 0.122 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.490 1.050 0.902 1.00 0.00 H new ATOM 283 N GLY A 23 -3.554 0.071 -1.754 1.00 0.00 N ATOM 284 CA GLY A 23 -4.217 -1.148 -2.160 1.00 0.00 C ATOM 285 C GLY A 23 -3.228 -2.153 -2.701 1.00 0.00 C ATOM 286 O GLY A 23 -2.318 -1.786 -3.436 1.00 0.00 O ATOM 0 H GLY A 23 -2.554 0.097 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.747 -1.577 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.964 -0.923 -2.921 1.00 0.00 H new ATOM 290 N TYR A 24 -3.366 -3.412 -2.321 1.00 0.00 N ATOM 291 CA TYR A 24 -2.473 -4.433 -2.842 1.00 0.00 C ATOM 292 C TYR A 24 -3.152 -5.246 -3.938 1.00 0.00 C ATOM 293 O TYR A 24 -4.329 -5.591 -3.840 1.00 0.00 O ATOM 294 CB TYR A 24 -1.924 -5.331 -1.721 1.00 0.00 C ATOM 295 CG TYR A 24 -2.859 -6.396 -1.188 1.00 0.00 C ATOM 296 CD1 TYR A 24 -4.036 -6.067 -0.526 1.00 0.00 C ATOM 297 CD2 TYR A 24 -2.535 -7.740 -1.319 1.00 0.00 C ATOM 298 CE1 TYR A 24 -4.863 -7.050 -0.012 1.00 0.00 C ATOM 299 CE2 TYR A 24 -3.358 -8.727 -0.815 1.00 0.00 C ATOM 300 CZ TYR A 24 -4.520 -8.379 -0.160 1.00 0.00 C ATOM 301 OH TYR A 24 -5.336 -9.362 0.353 1.00 0.00 O ATOM 0 H TYR A 24 -4.073 -3.748 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.617 -3.928 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.022 -5.821 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.624 -4.693 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.309 -5.028 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.622 -8.018 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.773 -6.779 0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.093 -9.767 -0.933 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.949 -10.242 0.161 1.00 0.00 H new ATOM 311 N THR A 25 -2.407 -5.507 -5.002 1.00 0.00 N ATOM 312 CA THR A 25 -2.921 -6.243 -6.143 1.00 0.00 C ATOM 313 C THR A 25 -2.455 -7.694 -6.083 1.00 0.00 C ATOM 314 O THR A 25 -1.426 -8.000 -5.469 1.00 0.00 O ATOM 315 CB THR A 25 -2.477 -5.591 -7.480 1.00 0.00 C ATOM 316 OG1 THR A 25 -3.107 -6.238 -8.591 1.00 0.00 O ATOM 317 CG2 THR A 25 -0.964 -5.652 -7.656 1.00 0.00 C ATOM 0 H THR A 25 -1.434 -5.215 -5.097 1.00 0.00 H new ATOM 0 HA THR A 25 -4.010 -6.215 -6.102 1.00 0.00 H new ATOM 0 HB THR A 25 -2.783 -4.545 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.513 -5.564 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.689 -5.187 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.481 -5.121 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.639 -6.693 -7.655 1.00 0.00 H new ATOM 325 N THR A 26 -3.232 -8.589 -6.680 1.00 0.00 N ATOM 326 CA THR A 26 -2.896 -10.002 -6.700 1.00 0.00 C ATOM 327 C THR A 26 -3.483 -10.688 -7.938 1.00 0.00 C ATOM 328 O THR A 26 -4.512 -11.361 -7.864 1.00 0.00 O ATOM 329 CB THR A 26 -3.393 -10.709 -5.417 1.00 0.00 C ATOM 330 OG1 THR A 26 -2.875 -10.038 -4.257 1.00 0.00 O ATOM 331 CG2 THR A 26 -2.962 -12.168 -5.384 1.00 0.00 C ATOM 0 H THR A 26 -4.103 -8.357 -7.158 1.00 0.00 H new ATOM 0 HA THR A 26 -1.810 -10.081 -6.741 1.00 0.00 H new ATOM 0 HB THR A 26 -4.482 -10.670 -5.417 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.422 -10.265 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.328 -12.635 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.375 -12.689 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.874 -12.227 -5.411 1.00 0.00 H new ATOM 351 N VAL A 28 -1.879 -12.834 -11.410 1.00 0.00 N ATOM 352 CA VAL A 28 -0.778 -13.359 -12.216 1.00 0.00 C ATOM 353 C VAL A 28 -0.795 -12.743 -13.616 1.00 0.00 C ATOM 354 O VAL A 28 0.239 -12.654 -14.287 1.00 0.00 O ATOM 355 CB VAL A 28 -0.850 -14.901 -12.328 1.00 0.00 C ATOM 356 CG1 VAL A 28 0.358 -15.458 -13.070 1.00 0.00 C ATOM 357 CG2 VAL A 28 -0.964 -15.542 -10.950 1.00 0.00 C ATOM 0 HA VAL A 28 0.152 -13.090 -11.715 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.745 -15.147 -12.900 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.278 -16.543 -13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.393 -15.038 -14.075 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.269 -15.191 -12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.013 -16.626 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.093 -15.275 -10.351 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.867 -15.184 -10.456 1.00 0.00 H new ATOM 367 N ASP A 29 -1.980 -12.308 -14.030 1.00 0.00 N ATOM 368 CA ASP A 29 -2.212 -11.793 -15.377 1.00 0.00 C ATOM 369 C ASP A 29 -1.251 -10.665 -15.737 1.00 0.00 C ATOM 370 O ASP A 29 -0.661 -10.671 -16.815 1.00 0.00 O ATOM 371 CB ASP A 29 -3.653 -11.302 -15.494 1.00 0.00 C ATOM 372 CG ASP A 29 -3.962 -10.708 -16.852 1.00 0.00 C ATOM 373 OD1 ASP A 29 -4.030 -11.470 -17.840 1.00 0.00 O ATOM 374 OD2 ASP A 29 -4.172 -9.481 -16.935 1.00 0.00 O ATOM 0 H ASP A 29 -2.811 -12.302 -13.439 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.034 -12.608 -16.078 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.332 -12.133 -15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.841 -10.554 -14.724 1.00 0.00 H new ATOM 379 N ARG A 30 -1.091 -9.710 -14.832 1.00 0.00 N ATOM 380 CA ARG A 30 -0.220 -8.563 -15.068 1.00 0.00 C ATOM 381 C ARG A 30 1.218 -8.995 -15.364 1.00 0.00 C ATOM 382 O ARG A 30 1.891 -8.404 -16.212 1.00 0.00 O ATOM 383 CB ARG A 30 -0.250 -7.638 -13.856 1.00 0.00 C ATOM 384 CG ARG A 30 0.639 -6.416 -13.989 1.00 0.00 C ATOM 385 CD ARG A 30 0.438 -5.464 -12.826 1.00 0.00 C ATOM 386 NE ARG A 30 -0.930 -4.945 -12.785 1.00 0.00 N ATOM 387 CZ ARG A 30 -1.867 -5.374 -11.938 1.00 0.00 C ATOM 388 NH1 ARG A 30 -1.586 -6.317 -11.048 1.00 0.00 N ATOM 389 NH2 ARG A 30 -3.089 -4.860 -11.986 1.00 0.00 N ATOM 0 H ARG A 30 -1.554 -9.705 -13.923 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.591 -8.033 -15.945 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.276 -7.311 -13.687 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.055 -8.202 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.683 -6.725 -14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.419 -5.903 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.661 -5.978 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.140 -4.634 -12.909 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.183 -4.210 -13.445 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.649 -6.718 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.307 -6.641 -10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.312 -4.137 -12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.806 -5.188 -11.339 1.00 0.00 H new ATOM 403 N ARG A 31 1.674 -10.033 -14.674 1.00 0.00 N ATOM 404 CA ARG A 31 3.039 -10.517 -14.837 1.00 0.00 C ATOM 405 C ARG A 31 3.249 -11.088 -16.238 1.00 0.00 C ATOM 406 O ARG A 31 4.118 -10.630 -16.992 1.00 0.00 O ATOM 407 CB ARG A 31 3.356 -11.586 -13.785 1.00 0.00 C ATOM 408 CG ARG A 31 3.446 -11.044 -12.367 1.00 0.00 C ATOM 409 CD ARG A 31 3.531 -12.166 -11.340 1.00 0.00 C ATOM 410 NE ARG A 31 4.671 -13.054 -11.568 1.00 0.00 N ATOM 411 CZ ARG A 31 4.623 -14.377 -11.409 1.00 0.00 C ATOM 412 NH1 ARG A 31 3.514 -14.949 -10.949 1.00 0.00 N ATOM 413 NH2 ARG A 31 5.691 -15.121 -11.677 1.00 0.00 N ATOM 0 H ARG A 31 1.119 -10.556 -13.996 1.00 0.00 H new ATOM 0 HA ARG A 31 3.715 -9.673 -14.701 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.587 -12.357 -13.821 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.301 -12.066 -14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.322 -10.402 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.574 -10.424 -12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.606 -11.735 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.610 -12.749 -11.367 1.00 0.00 H new ATOM 0 HE ARG A 31 5.553 -12.637 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.702 -14.376 -10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.475 -15.961 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.550 -14.680 -12.005 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.651 -16.133 -11.554 1.00 0.00 H new ATOM 427 N ILE A 32 2.451 -12.091 -16.582 1.00 0.00 N ATOM 428 CA ILE A 32 2.544 -12.732 -17.888 1.00 0.00 C ATOM 429 C ILE A 32 2.258 -11.739 -19.017 1.00 0.00 C ATOM 430 O ILE A 32 2.884 -11.799 -20.075 1.00 0.00 O ATOM 431 CB ILE A 32 1.609 -13.962 -17.995 1.00 0.00 C ATOM 432 CG1 ILE A 32 1.707 -14.603 -19.387 1.00 0.00 C ATOM 433 CG2 ILE A 32 0.171 -13.585 -17.671 1.00 0.00 C ATOM 434 CD1 ILE A 32 0.870 -15.856 -19.542 1.00 0.00 C ATOM 0 H ILE A 32 1.730 -12.479 -15.973 1.00 0.00 H new ATOM 0 HA ILE A 32 3.570 -13.085 -17.995 1.00 0.00 H new ATOM 0 HB ILE A 32 1.936 -14.697 -17.260 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.396 -13.874 -20.135 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.750 -14.846 -19.593 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.464 -14.467 -17.754 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.118 -13.193 -16.655 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.172 -12.824 -18.372 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.990 -16.252 -20.551 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.196 -16.603 -18.818 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.179 -15.616 -19.369 1.00 0.00 H new ATOM 446 N LYS A 33 1.335 -10.808 -18.772 1.00 0.00 N ATOM 447 CA LYS A 33 0.981 -9.790 -19.757 1.00 0.00 C ATOM 448 C LYS A 33 2.204 -8.974 -20.144 1.00 0.00 C ATOM 449 O LYS A 33 2.438 -8.708 -21.323 1.00 0.00 O ATOM 450 CB LYS A 33 -0.092 -8.856 -19.198 1.00 0.00 C ATOM 451 CG LYS A 33 -0.684 -7.914 -20.236 1.00 0.00 C ATOM 452 CD LYS A 33 -1.601 -6.877 -19.602 1.00 0.00 C ATOM 453 CE LYS A 33 -2.712 -7.523 -18.785 1.00 0.00 C ATOM 454 NZ LYS A 33 -3.554 -8.439 -19.602 1.00 0.00 N ATOM 0 H LYS A 33 0.818 -10.740 -17.895 1.00 0.00 H new ATOM 0 HA LYS A 33 0.593 -10.297 -20.641 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.893 -9.455 -18.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.338 -8.266 -18.388 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.121 -7.409 -20.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.243 -8.491 -20.973 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.015 -6.218 -18.961 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.039 -6.255 -20.382 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.274 -8.078 -17.956 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.340 -6.745 -18.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.306 -8.842 -19.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.981 -7.909 -20.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.964 -9.207 -19.981 1.00 0.00 H new ATOM 468 N LYS A 34 2.980 -8.576 -19.144 1.00 0.00 N ATOM 469 CA LYS A 34 4.192 -7.800 -19.378 1.00 0.00 C ATOM 470 C LYS A 34 5.171 -8.575 -20.253 1.00 0.00 C ATOM 471 O LYS A 34 5.775 -8.017 -21.169 1.00 0.00 O ATOM 472 CB LYS A 34 4.860 -7.429 -18.053 1.00 0.00 C ATOM 473 CG LYS A 34 6.180 -6.689 -18.223 1.00 0.00 C ATOM 474 CD LYS A 34 6.805 -6.334 -16.884 1.00 0.00 C ATOM 475 CE LYS A 34 5.971 -5.313 -16.126 1.00 0.00 C ATOM 476 NZ LYS A 34 6.612 -4.923 -14.845 1.00 0.00 N ATOM 0 H LYS A 34 2.792 -8.778 -18.162 1.00 0.00 H new ATOM 0 HA LYS A 34 3.908 -6.885 -19.897 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.177 -6.809 -17.472 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.034 -8.337 -17.476 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.872 -7.307 -18.795 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.015 -5.779 -18.800 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.911 -7.236 -16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.808 -5.938 -17.044 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.828 -4.428 -16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.982 -5.726 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.015 -4.226 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.726 -5.764 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.545 -4.506 -15.037 1.00 0.00 H new ATOM 490 N HIS A 35 5.315 -9.863 -19.974 1.00 0.00 N ATOM 491 CA HIS A 35 6.229 -10.706 -20.740 1.00 0.00 C ATOM 492 C HIS A 35 5.728 -10.879 -22.171 1.00 0.00 C ATOM 493 O HIS A 35 6.507 -10.794 -23.124 1.00 0.00 O ATOM 494 CB HIS A 35 6.405 -12.073 -20.064 1.00 0.00 C ATOM 495 CG HIS A 35 7.098 -11.999 -18.739 1.00 0.00 C ATOM 496 ND1 HIS A 35 6.772 -12.804 -17.668 1.00 0.00 N ATOM 497 CD2 HIS A 35 8.113 -11.211 -18.317 1.00 0.00 C ATOM 498 CE1 HIS A 35 7.555 -12.511 -16.648 1.00 0.00 C ATOM 499 NE2 HIS A 35 8.379 -11.548 -17.014 1.00 0.00 N ATOM 0 H HIS A 35 4.815 -10.347 -19.228 1.00 0.00 H new ATOM 0 HA HIS A 35 7.200 -10.212 -20.771 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.425 -12.531 -19.928 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.973 -12.727 -20.726 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.621 -10.456 -18.899 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.526 -12.981 -15.676 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.096 -11.124 -16.425 1.00 0.00 H new ATOM 508 N ALA A 36 4.428 -11.125 -22.311 1.00 0.00 N ATOM 509 CA ALA A 36 3.799 -11.254 -23.622 1.00 0.00 C ATOM 510 C ALA A 36 3.925 -9.962 -24.430 1.00 0.00 C ATOM 511 O ALA A 36 4.239 -9.992 -25.619 1.00 0.00 O ATOM 512 CB ALA A 36 2.336 -11.640 -23.468 1.00 0.00 C ATOM 0 H ALA A 36 3.786 -11.240 -21.527 1.00 0.00 H new ATOM 0 HA ALA A 36 4.319 -12.041 -24.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.879 -11.733 -24.453 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.264 -12.593 -22.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.815 -10.871 -22.897 1.00 0.00 H new ATOM 518 N SER A 37 3.680 -8.831 -23.773 1.00 0.00 N ATOM 519 CA SER A 37 3.723 -7.532 -24.435 1.00 0.00 C ATOM 520 C SER A 37 5.145 -7.148 -24.812 1.00 0.00 C ATOM 521 O SER A 37 5.366 -6.495 -25.830 1.00 0.00 O ATOM 522 CB SER A 37 3.136 -6.457 -23.526 1.00 0.00 C ATOM 523 OG SER A 37 1.813 -6.785 -23.133 1.00 0.00 O ATOM 0 H SER A 37 3.449 -8.789 -22.780 1.00 0.00 H new ATOM 0 HA SER A 37 3.131 -7.608 -25.347 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.763 -6.342 -22.642 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.137 -5.498 -24.044 1.00 0.00 H new ATOM 0 HG SER A 37 1.841 -7.386 -22.359 1.00 0.00 H new ATOM 708 N PHE A 50 -1.638 8.831 -11.527 1.00 0.00 N ATOM 709 CA PHE A 50 -1.244 7.955 -10.437 1.00 0.00 C ATOM 710 C PHE A 50 0.267 7.965 -10.261 1.00 0.00 C ATOM 711 O PHE A 50 1.004 7.409 -11.077 1.00 0.00 O ATOM 712 CB PHE A 50 -1.719 6.526 -10.704 1.00 0.00 C ATOM 713 CG PHE A 50 -3.196 6.412 -10.958 1.00 0.00 C ATOM 714 CD1 PHE A 50 -4.099 6.414 -9.908 1.00 0.00 C ATOM 715 CD2 PHE A 50 -3.678 6.297 -12.253 1.00 0.00 C ATOM 716 CE1 PHE A 50 -5.456 6.302 -10.143 1.00 0.00 C ATOM 717 CE2 PHE A 50 -5.036 6.187 -12.494 1.00 0.00 C ATOM 718 CZ PHE A 50 -5.925 6.189 -11.438 1.00 0.00 C ATOM 0 HA PHE A 50 -1.709 8.322 -9.522 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.181 6.130 -11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.458 5.901 -9.850 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.738 6.504 -8.894 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.986 6.293 -13.082 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.150 6.303 -9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.400 6.100 -13.507 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.985 6.102 -11.624 1.00 0.00 H new ATOM 728 N ARG A 51 0.725 8.610 -9.203 1.00 0.00 N ATOM 729 CA ARG A 51 2.146 8.667 -8.909 1.00 0.00 C ATOM 730 C ARG A 51 2.539 7.537 -7.968 1.00 0.00 C ATOM 731 O ARG A 51 2.108 7.498 -6.818 1.00 0.00 O ATOM 732 CB ARG A 51 2.514 10.013 -8.281 1.00 0.00 C ATOM 733 CG ARG A 51 3.957 10.083 -7.808 1.00 0.00 C ATOM 734 CD ARG A 51 4.235 11.359 -7.035 1.00 0.00 C ATOM 735 NE ARG A 51 5.534 11.304 -6.368 1.00 0.00 N ATOM 736 CZ ARG A 51 5.823 11.965 -5.248 1.00 0.00 C ATOM 737 NH1 ARG A 51 4.919 12.757 -4.688 1.00 0.00 N ATOM 738 NH2 ARG A 51 7.016 11.830 -4.683 1.00 0.00 N ATOM 0 H ARG A 51 0.134 9.102 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 51 2.691 8.556 -9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.339 10.805 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.853 10.205 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.175 9.221 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.625 10.026 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.208 12.211 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.450 11.517 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 51 6.263 10.725 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.998 12.862 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.144 13.261 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.715 11.219 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.235 12.337 -3.826 1.00 0.00 H new ATOM 752 N LEU A 52 3.351 6.616 -8.460 1.00 0.00 N ATOM 753 CA LEU A 52 3.821 5.509 -7.645 1.00 0.00 C ATOM 754 C LEU A 52 4.839 6.004 -6.624 1.00 0.00 C ATOM 755 O LEU A 52 5.900 6.515 -6.988 1.00 0.00 O ATOM 756 CB LEU A 52 4.437 4.419 -8.526 1.00 0.00 C ATOM 757 CG LEU A 52 4.904 3.171 -7.776 1.00 0.00 C ATOM 758 CD1 LEU A 52 3.724 2.474 -7.116 1.00 0.00 C ATOM 759 CD2 LEU A 52 5.628 2.223 -8.718 1.00 0.00 C ATOM 0 H LEU A 52 3.698 6.613 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 52 2.971 5.082 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.704 4.121 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.287 4.842 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 52 5.601 3.477 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.074 1.588 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.248 3.154 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.003 2.180 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.953 1.341 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.954 1.922 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.497 2.726 -9.143 1.00 0.00 H new ATOM 771 N VAL A 53 4.494 5.882 -5.349 1.00 0.00 N ATOM 772 CA VAL A 53 5.394 6.284 -4.275 1.00 0.00 C ATOM 773 C VAL A 53 6.333 5.134 -3.925 1.00 0.00 C ATOM 774 O VAL A 53 7.546 5.314 -3.821 1.00 0.00 O ATOM 775 CB VAL A 53 4.616 6.718 -3.013 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.561 7.264 -1.948 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.550 7.747 -3.367 1.00 0.00 C ATOM 0 H VAL A 53 3.599 5.509 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 53 5.971 7.139 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 53 4.121 5.838 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.987 7.562 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.278 6.492 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.094 8.128 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.013 8.040 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.023 8.624 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.850 7.314 -4.082 1.00 0.00 H new ATOM 787 N ALA A 54 5.755 3.950 -3.759 1.00 0.00 N ATOM 788 CA ALA A 54 6.523 2.751 -3.464 1.00 0.00 C ATOM 789 C ALA A 54 5.683 1.506 -3.710 1.00 0.00 C ATOM 790 O ALA A 54 4.481 1.595 -3.966 1.00 0.00 O ATOM 791 CB ALA A 54 7.027 2.769 -2.027 1.00 0.00 C ATOM 0 H ALA A 54 4.749 3.797 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 54 7.385 2.730 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.598 1.862 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.665 3.640 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.179 2.818 -1.344 1.00 0.00 H new ATOM 797 N THR A 55 6.324 0.351 -3.645 1.00 0.00 N ATOM 798 CA THR A 55 5.646 -0.916 -3.844 1.00 0.00 C ATOM 799 C THR A 55 6.184 -1.951 -2.861 1.00 0.00 C ATOM 800 O THR A 55 7.394 -2.143 -2.754 1.00 0.00 O ATOM 801 CB THR A 55 5.838 -1.424 -5.288 1.00 0.00 C ATOM 802 OG1 THR A 55 5.581 -0.360 -6.216 1.00 0.00 O ATOM 803 CG2 THR A 55 4.907 -2.590 -5.583 1.00 0.00 C ATOM 0 H THR A 55 7.322 0.266 -3.454 1.00 0.00 H new ATOM 0 HA THR A 55 4.581 -0.764 -3.670 1.00 0.00 H new ATOM 0 HB THR A 55 6.867 -1.766 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.706 -0.687 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.062 -2.929 -6.607 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.118 -3.408 -4.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.872 -2.270 -5.460 1.00 0.00 H new ATOM 811 N TRP A 56 5.287 -2.599 -2.136 1.00 0.00 N ATOM 812 CA TRP A 56 5.682 -3.598 -1.156 1.00 0.00 C ATOM 813 C TRP A 56 5.200 -4.982 -1.573 1.00 0.00 C ATOM 814 O TRP A 56 3.998 -5.233 -1.646 1.00 0.00 O ATOM 815 CB TRP A 56 5.133 -3.241 0.226 1.00 0.00 C ATOM 816 CG TRP A 56 5.812 -2.062 0.858 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.903 -2.094 1.675 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.443 -0.683 0.733 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.235 -0.822 2.070 1.00 0.00 N ATOM 820 CE2 TRP A 56 6.351 0.062 1.509 1.00 0.00 C ATOM 821 CE3 TRP A 56 4.431 -0.004 0.048 1.00 0.00 C ATOM 822 CZ2 TRP A 56 6.277 1.450 1.614 1.00 0.00 C ATOM 823 CZ3 TRP A 56 4.361 1.372 0.153 1.00 0.00 C ATOM 824 CH2 TRP A 56 5.277 2.086 0.932 1.00 0.00 C ATOM 0 H TRP A 56 4.280 -2.451 -2.207 1.00 0.00 H new ATOM 0 HA TRP A 56 6.771 -3.612 -1.105 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.067 -3.032 0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.237 -4.104 0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.430 -2.990 1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.013 -0.575 2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.716 -0.546 -0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.985 2.004 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.585 1.906 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.193 3.161 0.996 1.00 0.00 H new ATOM 835 N ALA A 57 6.139 -5.872 -1.854 1.00 0.00 N ATOM 836 CA ALA A 57 5.809 -7.227 -2.276 1.00 0.00 C ATOM 837 C ALA A 57 5.987 -8.206 -1.125 1.00 0.00 C ATOM 838 O ALA A 57 7.053 -8.263 -0.506 1.00 0.00 O ATOM 839 CB ALA A 57 6.671 -7.638 -3.461 1.00 0.00 C ATOM 0 H ALA A 57 7.139 -5.681 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 57 4.763 -7.246 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.413 -8.653 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.496 -6.955 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.722 -7.601 -3.176 1.00 0.00 H new ATOM 845 N PHE A 58 4.944 -8.969 -0.832 1.00 0.00 N ATOM 846 CA PHE A 58 4.999 -9.945 0.248 1.00 0.00 C ATOM 847 C PHE A 58 4.619 -11.329 -0.255 1.00 0.00 C ATOM 848 O PHE A 58 3.512 -11.536 -0.762 1.00 0.00 O ATOM 849 CB PHE A 58 4.067 -9.549 1.395 1.00 0.00 C ATOM 850 CG PHE A 58 4.351 -8.190 1.961 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.432 -7.992 2.803 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.540 -7.110 1.649 1.00 0.00 C ATOM 853 CE1 PHE A 58 5.699 -6.743 3.326 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.803 -5.860 2.170 1.00 0.00 C ATOM 855 CZ PHE A 58 4.885 -5.676 3.008 1.00 0.00 C ATOM 0 H PHE A 58 4.052 -8.932 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 58 6.024 -9.966 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.037 -9.577 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.150 -10.289 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.073 -8.824 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.694 -7.248 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.544 -6.601 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.163 -5.026 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.094 -4.697 3.414 1.00 0.00 H new ATOM 865 N PRO A 59 5.534 -12.297 -0.121 1.00 0.00 N ATOM 866 CA PRO A 59 5.274 -13.694 -0.472 1.00 0.00 C ATOM 867 C PRO A 59 4.347 -14.363 0.540 1.00 0.00 C ATOM 868 O PRO A 59 3.867 -15.476 0.319 1.00 0.00 O ATOM 869 CB PRO A 59 6.664 -14.350 -0.436 1.00 0.00 C ATOM 870 CG PRO A 59 7.641 -13.227 -0.315 1.00 0.00 C ATOM 871 CD PRO A 59 6.906 -12.111 0.365 1.00 0.00 C ATOM 0 HA PRO A 59 4.779 -13.787 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.751 -15.036 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.846 -14.931 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.513 -13.530 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.002 -12.916 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.966 -12.187 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.306 -11.135 0.091 1.00 0.00 H new ATOM 879 N SER A 60 4.090 -13.665 1.641 1.00 0.00 N ATOM 880 CA SER A 60 3.266 -14.197 2.713 1.00 0.00 C ATOM 881 C SER A 60 1.829 -13.692 2.600 1.00 0.00 C ATOM 882 O SER A 60 1.591 -12.511 2.325 1.00 0.00 O ATOM 883 CB SER A 60 3.857 -13.806 4.069 1.00 0.00 C ATOM 884 OG SER A 60 5.182 -14.289 4.207 1.00 0.00 O ATOM 0 H SER A 60 4.444 -12.724 1.812 1.00 0.00 H new ATOM 0 HA SER A 60 3.252 -15.284 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.850 -12.721 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.235 -14.207 4.869 1.00 0.00 H new ATOM 0 HG SER A 60 5.537 -14.024 5.081 1.00 0.00 H new ATOM 890 N LYS A 61 0.882 -14.602 2.789 1.00 0.00 N ATOM 891 CA LYS A 61 -0.542 -14.281 2.737 1.00 0.00 C ATOM 892 C LYS A 61 -0.928 -13.264 3.809 1.00 0.00 C ATOM 893 O LYS A 61 -1.431 -12.183 3.500 1.00 0.00 O ATOM 894 CB LYS A 61 -1.362 -15.561 2.914 1.00 0.00 C ATOM 895 CG LYS A 61 -2.859 -15.333 3.036 1.00 0.00 C ATOM 896 CD LYS A 61 -3.582 -16.639 3.302 1.00 0.00 C ATOM 897 CE LYS A 61 -5.062 -16.413 3.552 1.00 0.00 C ATOM 898 NZ LYS A 61 -5.777 -17.689 3.814 1.00 0.00 N ATOM 0 H LYS A 61 1.078 -15.584 2.983 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.754 -13.836 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.175 -16.219 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.012 -16.082 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.060 -14.630 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.239 -14.882 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.453 -17.308 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.137 -17.133 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.189 -15.743 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.506 -15.918 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.785 -17.494 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.677 -18.318 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.370 -18.149 4.654 1.00 0.00 H new ATOM 912 N GLU A 62 -0.669 -13.612 5.066 1.00 0.00 N ATOM 913 CA GLU A 62 -1.120 -12.813 6.190 1.00 0.00 C ATOM 914 C GLU A 62 -0.454 -11.445 6.200 1.00 0.00 C ATOM 915 O GLU A 62 -1.097 -10.448 6.511 1.00 0.00 O ATOM 916 CB GLU A 62 -0.868 -13.534 7.522 1.00 0.00 C ATOM 917 CG GLU A 62 0.591 -13.874 7.800 1.00 0.00 C ATOM 918 CD GLU A 62 1.059 -15.114 7.071 1.00 0.00 C ATOM 919 OE1 GLU A 62 1.467 -15.005 5.899 1.00 0.00 O ATOM 920 OE2 GLU A 62 1.017 -16.207 7.668 1.00 0.00 O ATOM 0 H GLU A 62 -0.146 -14.448 5.328 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.194 -12.670 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.241 -12.909 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.450 -14.456 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.217 -13.030 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.727 -14.017 8.872 1.00 0.00 H new ATOM 927 N GLU A 63 0.825 -11.400 5.840 1.00 0.00 N ATOM 928 CA GLU A 63 1.570 -10.147 5.835 1.00 0.00 C ATOM 929 C GLU A 63 0.962 -9.159 4.845 1.00 0.00 C ATOM 930 O GLU A 63 0.890 -7.964 5.118 1.00 0.00 O ATOM 931 CB GLU A 63 3.041 -10.391 5.508 1.00 0.00 C ATOM 932 CG GLU A 63 3.788 -11.160 6.588 1.00 0.00 C ATOM 933 CD GLU A 63 3.721 -10.484 7.946 1.00 0.00 C ATOM 934 OE1 GLU A 63 4.124 -9.313 8.052 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.281 -11.133 8.919 1.00 0.00 O ATOM 0 H GLU A 63 1.365 -12.215 5.549 1.00 0.00 H new ATOM 0 HA GLU A 63 1.507 -9.715 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.109 -10.941 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.533 -9.431 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.371 -12.164 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.832 -11.270 6.293 1.00 0.00 H new ATOM 942 N ALA A 64 0.499 -9.668 3.710 1.00 0.00 N ATOM 943 CA ALA A 64 -0.142 -8.831 2.705 1.00 0.00 C ATOM 944 C ALA A 64 -1.464 -8.284 3.224 1.00 0.00 C ATOM 945 O ALA A 64 -1.757 -7.097 3.087 1.00 0.00 O ATOM 946 CB ALA A 64 -0.363 -9.622 1.430 1.00 0.00 C ATOM 0 H ALA A 64 0.556 -10.656 3.463 1.00 0.00 H new ATOM 0 HA ALA A 64 0.515 -7.989 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.843 -8.986 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.596 -9.969 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.002 -10.480 1.640 1.00 0.00 H new ATOM 952 N MET A 65 -2.244 -9.158 3.846 1.00 0.00 N ATOM 953 CA MET A 65 -3.558 -8.791 4.360 1.00 0.00 C ATOM 954 C MET A 65 -3.441 -7.810 5.520 1.00 0.00 C ATOM 955 O MET A 65 -4.189 -6.838 5.596 1.00 0.00 O ATOM 956 CB MET A 65 -4.323 -10.040 4.813 1.00 0.00 C ATOM 957 CG MET A 65 -4.587 -11.040 3.695 1.00 0.00 C ATOM 958 SD MET A 65 -5.386 -12.547 4.284 1.00 0.00 S ATOM 959 CE MET A 65 -6.931 -11.891 4.911 1.00 0.00 C ATOM 0 H MET A 65 -1.988 -10.132 4.008 1.00 0.00 H new ATOM 0 HA MET A 65 -4.107 -8.307 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.758 -10.534 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.275 -9.734 5.246 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.215 -10.573 2.936 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.644 -11.298 3.213 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.650 -12.702 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.759 -11.416 5.877 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.325 -11.156 4.210 1.00 0.00 H new ATOM 969 N ARG A 66 -2.495 -8.063 6.419 1.00 0.00 N ATOM 970 CA ARG A 66 -2.336 -7.232 7.610 1.00 0.00 C ATOM 971 C ARG A 66 -1.722 -5.879 7.264 1.00 0.00 C ATOM 972 O ARG A 66 -2.057 -4.873 7.880 1.00 0.00 O ATOM 973 CB ARG A 66 -1.485 -7.945 8.667 1.00 0.00 C ATOM 974 CG ARG A 66 -0.045 -8.188 8.243 1.00 0.00 C ATOM 975 CD ARG A 66 0.734 -8.958 9.295 1.00 0.00 C ATOM 976 NE ARG A 66 0.881 -8.202 10.536 1.00 0.00 N ATOM 977 CZ ARG A 66 1.926 -8.311 11.355 1.00 0.00 C ATOM 978 NH1 ARG A 66 2.940 -9.110 11.043 1.00 0.00 N ATOM 979 NH2 ARG A 66 1.960 -7.603 12.477 1.00 0.00 N ATOM 0 H ARG A 66 -1.829 -8.833 6.347 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.330 -7.060 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.488 -7.352 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.949 -8.902 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.032 -8.742 7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.445 -7.232 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.227 -9.900 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.721 -9.207 8.904 1.00 0.00 H new ATOM 0 HE ARG A 66 0.138 -7.551 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.920 -9.643 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.738 -9.191 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.188 -6.978 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.758 -7.684 13.107 1.00 0.00 H new ATOM 993 N TRP A 67 -0.833 -5.858 6.277 1.00 0.00 N ATOM 994 CA TRP A 67 -0.180 -4.620 5.865 1.00 0.00 C ATOM 995 C TRP A 67 -1.221 -3.648 5.321 1.00 0.00 C ATOM 996 O TRP A 67 -1.325 -2.511 5.779 1.00 0.00 O ATOM 997 CB TRP A 67 0.881 -4.911 4.805 1.00 0.00 C ATOM 998 CG TRP A 67 1.979 -3.898 4.762 1.00 0.00 C ATOM 999 CD1 TRP A 67 3.173 -3.965 5.417 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.991 -2.669 4.032 1.00 0.00 C ATOM 1001 NE1 TRP A 67 3.930 -2.854 5.135 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.223 -2.042 4.291 1.00 0.00 C ATOM 1003 CE3 TRP A 67 1.079 -2.036 3.188 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 3.566 -0.818 3.730 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 1.421 -0.820 2.634 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.653 -0.222 2.908 1.00 0.00 C ATOM 0 H TRP A 67 -0.548 -6.682 5.748 1.00 0.00 H new ATOM 0 HA TRP A 67 0.310 -4.169 6.728 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.312 -5.894 4.995 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.402 -4.957 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.479 -4.774 6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.865 -2.665 5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.123 -2.489 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 4.520 -0.355 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.724 -0.322 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.889 0.732 2.460 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.995 -4.129 4.354 1.00 0.00 N ATOM 1018 CA GLU A 68 -3.120 -3.385 3.792 1.00 0.00 C ATOM 1019 C GLU A 68 -4.031 -2.877 4.906 1.00 0.00 C ATOM 1020 O GLU A 68 -4.298 -1.679 5.033 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.906 -4.323 2.874 1.00 0.00 C ATOM 1022 CG GLU A 68 -5.157 -3.720 2.259 1.00 0.00 C ATOM 1023 CD GLU A 68 -4.867 -2.720 1.168 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -4.709 -1.523 1.478 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -4.842 -3.126 -0.014 1.00 0.00 O ATOM 0 H GLU A 68 -1.860 -5.049 3.935 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.749 -2.526 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.249 -4.656 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.189 -5.209 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.775 -4.521 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.739 -3.234 3.042 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.473 -3.821 5.721 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.394 -3.563 6.822 1.00 0.00 C ATOM 1034 C TYR A 69 -4.854 -2.505 7.791 1.00 0.00 C ATOM 1035 O TYR A 69 -5.608 -1.659 8.281 1.00 0.00 O ATOM 1036 CB TYR A 69 -5.657 -4.881 7.555 1.00 0.00 C ATOM 1037 CG TYR A 69 -6.645 -4.791 8.690 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -7.988 -4.536 8.455 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -6.233 -4.994 9.997 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -8.894 -4.483 9.497 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -7.128 -4.938 11.042 1.00 0.00 C ATOM 1042 CZ TYR A 69 -8.458 -4.685 10.790 1.00 0.00 C ATOM 1043 OH TYR A 69 -9.351 -4.639 11.836 1.00 0.00 O ATOM 0 H TYR A 69 -4.201 -4.800 5.638 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.323 -3.165 6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.020 -5.614 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.711 -5.258 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.330 -4.377 7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.192 -5.200 10.200 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.937 -4.285 9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.788 -5.092 12.056 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.877 -4.803 12.678 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.556 -2.544 8.064 1.00 0.00 N ATOM 1054 CA GLU A 70 -2.950 -1.615 9.012 1.00 0.00 C ATOM 1055 C GLU A 70 -2.773 -0.224 8.424 1.00 0.00 C ATOM 1056 O GLU A 70 -2.926 0.769 9.132 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.612 -2.147 9.512 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.760 -3.138 10.654 1.00 0.00 C ATOM 1059 CD GLU A 70 -2.364 -2.502 11.888 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -1.618 -1.841 12.643 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -3.584 -2.648 12.113 1.00 0.00 O ATOM 0 H GLU A 70 -2.904 -3.206 7.644 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.638 -1.531 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.086 -2.627 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.994 -1.311 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.387 -3.970 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.783 -3.553 10.902 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.452 -0.138 7.142 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.320 1.160 6.495 1.00 0.00 C ATOM 1070 C VAL A 71 -3.696 1.808 6.341 1.00 0.00 C ATOM 1071 O VAL A 71 -3.827 3.033 6.307 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.611 1.047 5.130 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.452 2.412 4.478 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -0.254 0.390 5.302 1.00 0.00 C ATOM 0 H VAL A 71 -2.280 -0.940 6.535 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.699 1.793 7.129 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.229 0.431 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.949 2.300 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.434 2.858 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.858 3.058 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.239 0.314 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.358 0.990 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.383 -0.608 5.722 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.717 0.970 6.244 1.00 0.00 N ATOM 1085 CA LYS A 72 -6.097 1.431 6.294 1.00 0.00 C ATOM 1086 C LYS A 72 -6.449 1.868 7.720 1.00 0.00 C ATOM 1087 O LYS A 72 -7.299 2.733 7.934 1.00 0.00 O ATOM 1088 CB LYS A 72 -7.029 0.312 5.826 1.00 0.00 C ATOM 1089 CG LYS A 72 -8.469 0.745 5.598 1.00 0.00 C ATOM 1090 CD LYS A 72 -9.328 -0.433 5.167 1.00 0.00 C ATOM 1091 CE LYS A 72 -10.745 -0.007 4.819 1.00 0.00 C ATOM 1092 NZ LYS A 72 -10.783 0.879 3.626 1.00 0.00 N ATOM 0 H LYS A 72 -4.615 -0.038 6.130 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.219 2.288 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.637 -0.106 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.016 -0.488 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.872 1.178 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.503 1.523 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.872 -0.917 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.358 -1.172 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.354 -0.892 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.187 0.511 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.763 0.968 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.417 1.819 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.195 0.471 2.872 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.770 1.256 8.687 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.002 1.514 10.109 1.00 0.00 C ATOM 1108 C HIS A 73 -5.366 2.826 10.569 1.00 0.00 C ATOM 1109 O HIS A 73 -5.997 3.613 11.279 1.00 0.00 O ATOM 1110 CB HIS A 73 -5.418 0.374 10.947 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.432 -0.487 11.629 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -6.096 -1.647 12.290 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -7.769 -0.340 11.785 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -7.180 -2.176 12.823 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.209 -1.403 12.532 1.00 0.00 N ATOM 0 H HIS A 73 -5.041 0.565 8.508 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.081 1.585 10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.804 -0.254 10.302 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.756 0.799 11.702 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.156 -2.036 12.357 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.375 0.464 11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.219 -3.088 13.400 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.112 3.042 10.187 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.339 4.172 10.693 1.00 0.00 C ATOM 1126 C LEU A 74 -3.821 5.504 10.127 1.00 0.00 C ATOM 1127 O LEU A 74 -4.365 5.573 9.022 1.00 0.00 O ATOM 1128 CB LEU A 74 -1.835 3.966 10.430 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.439 3.438 9.045 1.00 0.00 C ATOM 1130 CD1 LEU A 74 -1.579 4.511 7.979 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.015 2.910 9.078 1.00 0.00 C ATOM 0 H LEU A 74 -3.608 2.449 9.528 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.497 4.214 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.329 4.919 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.451 3.274 11.180 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.118 2.625 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.290 4.102 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.615 4.848 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.933 5.354 8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.258 2.537 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.664 3.713 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.056 2.100 9.804 1.00 0.00 H new ATOM 1143 N SER A 75 -3.643 6.555 10.917 1.00 0.00 N ATOM 1144 CA SER A 75 -4.046 7.892 10.527 1.00 0.00 C ATOM 1145 C SER A 75 -3.051 8.494 9.532 1.00 0.00 C ATOM 1146 O SER A 75 -2.040 7.872 9.196 1.00 0.00 O ATOM 1147 CB SER A 75 -4.168 8.773 11.771 1.00 0.00 C ATOM 1148 OG SER A 75 -2.978 8.738 12.545 1.00 0.00 O ATOM 0 H SER A 75 -3.216 6.501 11.842 1.00 0.00 H new ATOM 0 HA SER A 75 -5.016 7.838 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.381 9.800 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.009 8.436 12.377 1.00 0.00 H new ATOM 0 HG SER A 75 -3.083 9.311 13.333 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.335 9.713 9.080 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.485 10.393 8.105 1.00 0.00 C ATOM 1156 C ARG A 76 -1.066 10.567 8.630 1.00 0.00 C ATOM 1157 O ARG A 76 -0.104 10.341 7.904 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.067 11.762 7.730 1.00 0.00 C ATOM 1159 CG ARG A 76 -4.119 11.722 6.626 1.00 0.00 C ATOM 1160 CD ARG A 76 -5.288 10.807 6.964 1.00 0.00 C ATOM 1161 NE ARG A 76 -5.944 11.180 8.218 1.00 0.00 N ATOM 1162 CZ ARG A 76 -6.905 10.461 8.799 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -7.386 9.380 8.198 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -7.394 10.837 9.975 1.00 0.00 N ATOM 0 H ARG A 76 -4.150 10.252 9.374 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.451 9.765 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.509 12.211 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.253 12.415 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.492 12.731 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.655 11.385 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.016 10.837 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.933 9.779 7.035 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.648 12.042 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.021 9.097 7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.121 8.832 8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.034 11.675 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.129 10.288 10.421 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.938 10.944 9.899 1.00 0.00 N ATOM 1179 CA ARG A 77 0.372 11.202 10.488 1.00 0.00 C ATOM 1180 C ARG A 77 1.269 9.968 10.399 1.00 0.00 C ATOM 1181 O ARG A 77 2.451 10.072 10.066 1.00 0.00 O ATOM 1182 CB ARG A 77 0.228 11.651 11.950 1.00 0.00 C ATOM 1183 CG ARG A 77 1.560 11.909 12.638 1.00 0.00 C ATOM 1184 CD ARG A 77 2.350 13.004 11.939 1.00 0.00 C ATOM 1185 NE ARG A 77 1.989 14.344 12.396 1.00 0.00 N ATOM 1186 CZ ARG A 77 2.059 15.433 11.631 1.00 0.00 C ATOM 1187 NH1 ARG A 77 2.286 15.325 10.329 1.00 0.00 N ATOM 1188 NH2 ARG A 77 1.860 16.633 12.160 1.00 0.00 N ATOM 0 H ARG A 77 -1.722 11.077 10.537 1.00 0.00 H new ATOM 0 HA ARG A 77 0.841 12.005 9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.373 12.560 11.985 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.317 10.887 12.505 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.385 12.192 13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.146 10.990 12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.414 12.842 12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.184 12.935 10.864 1.00 0.00 H new ATOM 0 HE ARG A 77 1.664 14.452 13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.408 14.404 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.338 16.163 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.653 16.724 13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.914 17.465 11.572 1.00 0.00 H new ATOM 1202 N LYS A 78 0.701 8.799 10.677 1.00 0.00 N ATOM 1203 CA LYS A 78 1.466 7.563 10.643 1.00 0.00 C ATOM 1204 C LYS A 78 1.635 7.099 9.199 1.00 0.00 C ATOM 1205 O LYS A 78 2.620 6.448 8.856 1.00 0.00 O ATOM 1206 CB LYS A 78 0.784 6.477 11.478 1.00 0.00 C ATOM 1207 CG LYS A 78 1.660 5.255 11.707 1.00 0.00 C ATOM 1208 CD LYS A 78 0.933 4.191 12.511 1.00 0.00 C ATOM 1209 CE LYS A 78 1.851 3.034 12.869 1.00 0.00 C ATOM 1210 NZ LYS A 78 1.128 1.962 13.602 1.00 0.00 N ATOM 0 H LYS A 78 -0.281 8.684 10.927 1.00 0.00 H new ATOM 0 HA LYS A 78 2.450 7.750 11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.498 6.896 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.135 6.168 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.966 4.841 10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.569 5.551 12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.533 4.634 13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.084 3.818 11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.288 2.622 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.676 3.400 13.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.788 1.191 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.733 2.349 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.357 1.595 13.008 1.00 0.00 H new ATOM 1224 N LYS A 79 0.670 7.460 8.358 1.00 0.00 N ATOM 1225 CA LYS A 79 0.738 7.158 6.932 1.00 0.00 C ATOM 1226 C LYS A 79 1.937 7.873 6.315 1.00 0.00 C ATOM 1227 O LYS A 79 2.644 7.318 5.474 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.557 7.596 6.242 1.00 0.00 C ATOM 1229 CG LYS A 79 -0.795 6.948 4.886 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.087 7.451 4.258 1.00 0.00 C ATOM 1231 CE LYS A 79 -2.480 6.624 3.043 1.00 0.00 C ATOM 1232 NZ LYS A 79 -2.843 5.228 3.422 1.00 0.00 N ATOM 0 H LYS A 79 -0.171 7.964 8.641 1.00 0.00 H new ATOM 0 HA LYS A 79 0.857 6.083 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.399 7.365 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.539 8.679 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.043 7.164 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.840 5.865 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.888 7.417 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.968 8.494 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.324 7.096 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.654 6.605 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.614 4.585 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.307 4.947 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.862 5.177 3.626 1.00 0.00 H new ATOM 1246 N GLU A 80 2.159 9.109 6.754 1.00 0.00 N ATOM 1247 CA GLU A 80 3.322 9.883 6.341 1.00 0.00 C ATOM 1248 C GLU A 80 4.602 9.222 6.843 1.00 0.00 C ATOM 1249 O GLU A 80 5.581 9.094 6.106 1.00 0.00 O ATOM 1250 CB GLU A 80 3.241 11.301 6.903 1.00 0.00 C ATOM 1251 CG GLU A 80 1.990 12.062 6.509 1.00 0.00 C ATOM 1252 CD GLU A 80 1.888 13.394 7.223 1.00 0.00 C ATOM 1253 OE1 GLU A 80 1.976 13.412 8.472 1.00 0.00 O ATOM 1254 OE2 GLU A 80 1.738 14.429 6.542 1.00 0.00 O ATOM 0 H GLU A 80 1.541 9.598 7.402 1.00 0.00 H new ATOM 0 HA GLU A 80 3.336 9.923 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.293 11.251 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.113 11.862 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.990 12.227 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.111 11.459 6.739 1.00 0.00 H new ATOM 1261 N GLN A 81 4.581 8.799 8.105 1.00 0.00 N ATOM 1262 CA GLN A 81 5.738 8.162 8.727 1.00 0.00 C ATOM 1263 C GLN A 81 6.116 6.887 7.994 1.00 0.00 C ATOM 1264 O GLN A 81 7.295 6.570 7.853 1.00 0.00 O ATOM 1265 CB GLN A 81 5.455 7.842 10.196 1.00 0.00 C ATOM 1266 CG GLN A 81 5.409 9.073 11.086 1.00 0.00 C ATOM 1267 CD GLN A 81 6.724 9.832 11.087 1.00 0.00 C ATOM 1268 OE1 GLN A 81 7.795 9.247 10.925 1.00 0.00 O ATOM 1269 NE2 GLN A 81 6.655 11.139 11.273 1.00 0.00 N ATOM 0 H GLN A 81 3.771 8.887 8.719 1.00 0.00 H new ATOM 0 HA GLN A 81 6.571 8.862 8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.503 7.315 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.224 7.164 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.611 9.734 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.164 8.773 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.749 11.588 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.508 11.698 11.286 1.00 0.00 H new ATOM 1278 N LEU A 82 5.107 6.171 7.524 1.00 0.00 N ATOM 1279 CA LEU A 82 5.313 4.940 6.781 1.00 0.00 C ATOM 1280 C LEU A 82 6.160 5.199 5.537 1.00 0.00 C ATOM 1281 O LEU A 82 7.109 4.469 5.255 1.00 0.00 O ATOM 1282 CB LEU A 82 3.957 4.342 6.397 1.00 0.00 C ATOM 1283 CG LEU A 82 4.011 2.957 5.761 1.00 0.00 C ATOM 1284 CD1 LEU A 82 3.159 1.986 6.560 1.00 0.00 C ATOM 1285 CD2 LEU A 82 3.542 3.020 4.315 1.00 0.00 C ATOM 0 H LEU A 82 4.127 6.426 7.646 1.00 0.00 H new ATOM 0 HA LEU A 82 5.850 4.229 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.336 4.289 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.462 5.022 5.704 1.00 0.00 H new ATOM 0 HG LEU A 82 5.042 2.603 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.203 0.999 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.536 1.927 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.126 2.334 6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.586 2.024 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.516 3.387 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.187 3.695 3.752 1.00 0.00 H new ATOM 1297 N VAL A 83 5.825 6.261 4.815 1.00 0.00 N ATOM 1298 CA VAL A 83 6.569 6.644 3.620 1.00 0.00 C ATOM 1299 C VAL A 83 7.922 7.247 4.003 1.00 0.00 C ATOM 1300 O VAL A 83 8.895 7.156 3.255 1.00 0.00 O ATOM 1301 CB VAL A 83 5.767 7.649 2.764 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.542 8.059 1.520 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.418 7.061 2.381 1.00 0.00 C ATOM 0 H VAL A 83 5.041 6.874 5.036 1.00 0.00 H new ATOM 0 HA VAL A 83 6.736 5.744 3.027 1.00 0.00 H new ATOM 0 HB VAL A 83 5.602 8.544 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.950 8.767 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.481 8.527 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.750 7.177 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.865 7.781 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.569 6.147 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.851 6.832 3.284 1.00 0.00 H new ATOM 1313 N SER A 84 7.982 7.839 5.188 1.00 0.00 N ATOM 1314 CA SER A 84 9.223 8.414 5.691 1.00 0.00 C ATOM 1315 C SER A 84 10.234 7.313 6.015 1.00 0.00 C ATOM 1316 O SER A 84 11.444 7.554 6.044 1.00 0.00 O ATOM 1317 CB SER A 84 8.942 9.264 6.931 1.00 0.00 C ATOM 1318 OG SER A 84 7.967 10.259 6.652 1.00 0.00 O ATOM 0 H SER A 84 7.186 7.934 5.819 1.00 0.00 H new ATOM 0 HA SER A 84 9.650 9.052 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.594 8.626 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.864 9.737 7.269 1.00 0.00 H new ATOM 0 HG SER A 84 7.092 9.835 6.533 1.00 0.00 H new