USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.867 K(o=-0.87,f=-3.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.772 K(o=-0.77,f=0.44) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.0225 (180deg=-1.01) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.067) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.0027) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -51:sc= 1.16 USER MOD Single : A 52 GLN : amide:sc= -0.535 K(o=-0.53,f=-2.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -91:sc= 0.52 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= 0.00852 (180deg=-0.123) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= -0.076 (180deg=-0.537) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot -154:sc= 0.979 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.409 4.497 0.672 1.00 0.00 N ATOM 67 CA ASP A 8 2.817 4.122 0.745 1.00 0.00 C ATOM 68 C ASP A 8 2.984 2.612 0.605 1.00 0.00 C ATOM 69 O ASP A 8 2.644 1.853 1.512 1.00 0.00 O ATOM 70 CB ASP A 8 3.424 4.594 2.067 1.00 0.00 C ATOM 71 CG ASP A 8 3.830 6.055 2.029 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.957 6.919 2.254 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.020 6.333 1.773 1.00 0.00 O ATOM 0 HA ASP A 8 3.340 4.606 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.703 4.441 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.296 3.984 2.302 1.00 0.00 H new ATOM 78 N TYR A 9 3.509 2.184 -0.537 1.00 0.00 N ATOM 79 CA TYR A 9 3.719 0.765 -0.798 1.00 0.00 C ATOM 80 C TYR A 9 4.520 0.117 0.327 1.00 0.00 C ATOM 81 O TYR A 9 4.234 -1.007 0.741 1.00 0.00 O ATOM 82 CB TYR A 9 4.442 0.571 -2.132 1.00 0.00 C ATOM 83 CG TYR A 9 3.674 1.103 -3.321 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.292 0.976 -3.393 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.329 1.735 -4.370 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.586 1.460 -4.477 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.631 2.223 -5.458 1.00 0.00 C ATOM 88 CZ TYR A 9 2.260 2.083 -5.507 1.00 0.00 C ATOM 89 OH TYR A 9 1.560 2.567 -6.588 1.00 0.00 O ATOM 0 H TYR A 9 3.797 2.800 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 9 2.743 0.283 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.412 1.067 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.634 -0.492 -2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.761 0.491 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.403 1.847 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.512 1.351 -4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.156 2.711 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 9 2.183 2.978 -7.224 1.00 0.00 H new ATOM 99 N TYR A 10 5.525 0.834 0.817 1.00 0.00 N ATOM 100 CA TYR A 10 6.371 0.329 1.893 1.00 0.00 C ATOM 101 C TYR A 10 5.528 -0.120 3.082 1.00 0.00 C ATOM 102 O TYR A 10 5.784 -1.167 3.676 1.00 0.00 O ATOM 103 CB TYR A 10 7.365 1.404 2.335 1.00 0.00 C ATOM 104 CG TYR A 10 8.159 2.001 1.195 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.116 1.251 0.522 1.00 0.00 C ATOM 106 CD2 TYR A 10 7.952 3.314 0.790 1.00 0.00 C ATOM 107 CE1 TYR A 10 9.844 1.792 -0.520 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.675 3.863 -0.251 1.00 0.00 C ATOM 109 CZ TYR A 10 9.620 3.098 -0.903 1.00 0.00 C ATOM 110 OH TYR A 10 10.342 3.641 -1.941 1.00 0.00 O ATOM 0 H TYR A 10 5.774 1.766 0.487 1.00 0.00 H new ATOM 0 HA TYR A 10 6.922 -0.532 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.823 2.200 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.055 0.973 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.294 0.228 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.213 3.916 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.585 1.196 -1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.502 4.885 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 10 10.062 4.569 -2.084 1.00 0.00 H new ATOM 120 N GLN A 11 4.522 0.679 3.422 1.00 0.00 N ATOM 121 CA GLN A 11 3.641 0.364 4.541 1.00 0.00 C ATOM 122 C GLN A 11 2.783 -0.859 4.230 1.00 0.00 C ATOM 123 O GLN A 11 2.634 -1.752 5.064 1.00 0.00 O ATOM 124 CB GLN A 11 2.745 1.560 4.865 1.00 0.00 C ATOM 125 CG GLN A 11 3.409 2.592 5.763 1.00 0.00 C ATOM 126 CD GLN A 11 3.677 2.064 7.159 1.00 0.00 C ATOM 127 OE1 GLN A 11 3.535 0.869 7.421 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.066 2.954 8.064 1.00 0.00 N ATOM 0 H GLN A 11 4.297 1.549 2.939 1.00 0.00 H new ATOM 0 HA GLN A 11 4.262 0.139 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.444 2.041 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.836 1.202 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.349 2.910 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.773 3.475 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.171 3.934 7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.260 2.657 9.020 1.00 0.00 H new ATOM 137 N ILE A 12 2.222 -0.891 3.026 1.00 0.00 N ATOM 138 CA ILE A 12 1.380 -2.005 2.607 1.00 0.00 C ATOM 139 C ILE A 12 2.083 -3.339 2.828 1.00 0.00 C ATOM 140 O ILE A 12 1.464 -4.317 3.250 1.00 0.00 O ATOM 141 CB ILE A 12 0.986 -1.884 1.122 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.190 -0.599 0.886 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.182 -3.100 0.688 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.105 -0.331 -0.573 1.00 0.00 C ATOM 0 H ILE A 12 2.335 -0.159 2.324 1.00 0.00 H new ATOM 0 HA ILE A 12 0.478 -1.967 3.218 1.00 0.00 H new ATOM 0 HB ILE A 12 1.895 -1.840 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.751 -0.658 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.746 0.244 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.089 -3.001 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.781 -4.000 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.723 -3.172 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.672 0.595 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.832 -0.240 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.688 -1.155 -0.984 1.00 0.00 H new ATOM 156 N LEU A 13 3.380 -3.373 2.542 1.00 0.00 N ATOM 157 CA LEU A 13 4.170 -4.588 2.711 1.00 0.00 C ATOM 158 C LEU A 13 4.755 -4.665 4.117 1.00 0.00 C ATOM 159 O LEU A 13 4.956 -5.752 4.658 1.00 0.00 O ATOM 160 CB LEU A 13 5.294 -4.638 1.675 1.00 0.00 C ATOM 161 CG LEU A 13 4.888 -5.067 0.264 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.956 -4.670 -0.743 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.638 -6.568 0.215 1.00 0.00 C ATOM 0 H LEU A 13 3.907 -2.573 2.192 1.00 0.00 H new ATOM 0 HA LEU A 13 3.511 -5.444 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.750 -3.650 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.062 -5.323 2.034 1.00 0.00 H new ATOM 0 HG LEU A 13 3.962 -4.555 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.650 -4.983 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.087 -3.588 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.898 -5.154 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.350 -6.856 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.548 -7.098 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.837 -6.826 0.908 1.00 0.00 H new ATOM 175 N GLY A 14 5.025 -3.504 4.705 1.00 0.00 N ATOM 176 CA GLY A 14 5.583 -3.462 6.044 1.00 0.00 C ATOM 177 C GLY A 14 7.098 -3.431 6.041 1.00 0.00 C ATOM 178 O GLY A 14 7.742 -4.052 6.887 1.00 0.00 O ATOM 0 H GLY A 14 4.867 -2.591 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.206 -2.581 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.242 -4.333 6.604 1.00 0.00 H new ATOM 182 N VAL A 15 7.671 -2.707 5.084 1.00 0.00 N ATOM 183 CA VAL A 15 9.121 -2.597 4.973 1.00 0.00 C ATOM 184 C VAL A 15 9.575 -1.149 5.112 1.00 0.00 C ATOM 185 O VAL A 15 8.852 -0.210 4.777 1.00 0.00 O ATOM 186 CB VAL A 15 9.624 -3.155 3.628 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.664 -4.675 3.662 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.749 -2.661 2.486 1.00 0.00 C ATOM 0 H VAL A 15 7.153 -2.188 4.375 1.00 0.00 H new ATOM 0 HA VAL A 15 9.546 -3.187 5.785 1.00 0.00 H new ATOM 0 HB VAL A 15 10.638 -2.793 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.022 -5.051 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.336 -5.004 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.663 -5.061 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.119 -3.065 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.723 -2.992 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.778 -1.572 2.450 1.00 0.00 H new ATOM 198 N PRO A 16 10.802 -0.959 5.619 1.00 0.00 N ATOM 199 CA PRO A 16 11.382 0.373 5.813 1.00 0.00 C ATOM 200 C PRO A 16 11.714 1.059 4.493 1.00 0.00 C ATOM 201 O PRO A 16 12.160 0.415 3.543 1.00 0.00 O ATOM 202 CB PRO A 16 12.660 0.092 6.607 1.00 0.00 C ATOM 203 CG PRO A 16 13.021 -1.311 6.258 1.00 0.00 C ATOM 204 CD PRO A 16 11.719 -2.032 6.040 1.00 0.00 C ATOM 0 HA PRO A 16 10.691 1.048 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.456 0.785 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.493 0.203 7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.640 -1.343 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.596 -1.777 7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.810 -2.805 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.373 -2.522 6.950 1.00 0.00 H new ATOM 212 N ARG A 17 11.495 2.369 4.439 1.00 0.00 N ATOM 213 CA ARG A 17 11.771 3.141 3.234 1.00 0.00 C ATOM 214 C ARG A 17 13.142 2.788 2.665 1.00 0.00 C ATOM 215 O ARG A 17 13.391 2.957 1.472 1.00 0.00 O ATOM 216 CB ARG A 17 11.703 4.639 3.537 1.00 0.00 C ATOM 217 CG ARG A 17 10.307 5.126 3.889 1.00 0.00 C ATOM 218 CD ARG A 17 10.348 6.473 4.594 1.00 0.00 C ATOM 219 NE ARG A 17 9.031 6.879 5.076 1.00 0.00 N ATOM 220 CZ ARG A 17 8.048 7.281 4.278 1.00 0.00 C ATOM 221 NH1 ARG A 17 8.233 7.329 2.966 1.00 0.00 N ATOM 222 NH2 ARG A 17 6.877 7.635 4.792 1.00 0.00 N ATOM 0 H ARG A 17 11.127 2.918 5.216 1.00 0.00 H new ATOM 0 HA ARG A 17 11.013 2.892 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.377 4.865 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.064 5.193 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.709 5.207 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.816 4.394 4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.041 6.422 5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.732 7.229 3.909 1.00 0.00 H new ATOM 0 HE ARG A 17 8.856 6.853 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.132 7.057 2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.477 7.638 2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.731 7.599 5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.123 7.944 4.178 1.00 0.00 H new ATOM 236 N ASN A 18 14.027 2.298 3.527 1.00 0.00 N ATOM 237 CA ASN A 18 15.373 1.923 3.109 1.00 0.00 C ATOM 238 C ASN A 18 15.531 0.406 3.083 1.00 0.00 C ATOM 239 O ASN A 18 16.587 -0.125 3.427 1.00 0.00 O ATOM 240 CB ASN A 18 16.412 2.539 4.049 1.00 0.00 C ATOM 241 CG ASN A 18 16.671 4.002 3.746 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.031 4.888 4.314 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.612 4.262 2.847 1.00 0.00 N ATOM 0 H ASN A 18 13.837 2.151 4.518 1.00 0.00 H new ATOM 0 HA ASN A 18 15.533 2.305 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.070 2.439 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.346 1.983 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.830 5.228 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.117 3.496 2.401 1.00 0.00 H new ATOM 250 N ALA A 19 14.474 -0.287 2.671 1.00 0.00 N ATOM 251 CA ALA A 19 14.496 -1.742 2.597 1.00 0.00 C ATOM 252 C ALA A 19 15.208 -2.217 1.335 1.00 0.00 C ATOM 253 O ALA A 19 15.213 -1.526 0.317 1.00 0.00 O ATOM 254 CB ALA A 19 13.079 -2.294 2.646 1.00 0.00 C ATOM 0 H ALA A 19 13.592 0.137 2.383 1.00 0.00 H new ATOM 0 HA ALA A 19 15.050 -2.117 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.110 -3.382 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.603 -1.992 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.507 -1.904 1.804 1.00 0.00 H new ATOM 260 N SER A 20 15.809 -3.401 1.410 1.00 0.00 N ATOM 261 CA SER A 20 16.528 -3.966 0.274 1.00 0.00 C ATOM 262 C SER A 20 15.597 -4.808 -0.594 1.00 0.00 C ATOM 263 O SER A 20 14.637 -5.398 -0.100 1.00 0.00 O ATOM 264 CB SER A 20 17.702 -4.818 0.760 1.00 0.00 C ATOM 265 OG SER A 20 18.264 -5.565 -0.305 1.00 0.00 O ATOM 0 H SER A 20 15.812 -3.987 2.245 1.00 0.00 H new ATOM 0 HA SER A 20 16.911 -3.143 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.465 -4.175 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.364 -5.495 1.545 1.00 0.00 H new ATOM 0 HG SER A 20 19.013 -6.100 0.030 1.00 0.00 H new ATOM 271 N GLN A 21 15.891 -4.858 -1.889 1.00 0.00 N ATOM 272 CA GLN A 21 15.080 -5.627 -2.826 1.00 0.00 C ATOM 273 C GLN A 21 14.716 -6.988 -2.241 1.00 0.00 C ATOM 274 O GLN A 21 13.558 -7.403 -2.282 1.00 0.00 O ATOM 275 CB GLN A 21 15.828 -5.811 -4.148 1.00 0.00 C ATOM 276 CG GLN A 21 16.225 -4.501 -4.809 1.00 0.00 C ATOM 277 CD GLN A 21 15.110 -3.911 -5.651 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.024 -4.163 -6.853 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.249 -3.119 -5.022 1.00 0.00 N ATOM 0 H GLN A 21 16.684 -4.376 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 21 14.160 -5.073 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.725 -6.405 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.201 -6.380 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.514 -3.784 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.101 -4.666 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.358 -2.937 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.479 -2.692 -5.537 1.00 0.00 H new ATOM 288 N LYS A 22 15.713 -7.678 -1.697 1.00 0.00 N ATOM 289 CA LYS A 22 15.498 -8.992 -1.103 1.00 0.00 C ATOM 290 C LYS A 22 14.383 -8.944 -0.064 1.00 0.00 C ATOM 291 O LYS A 22 13.486 -9.787 -0.064 1.00 0.00 O ATOM 292 CB LYS A 22 16.790 -9.499 -0.457 1.00 0.00 C ATOM 293 CG LYS A 22 17.945 -9.637 -1.433 1.00 0.00 C ATOM 294 CD LYS A 22 19.205 -10.129 -0.741 1.00 0.00 C ATOM 295 CE LYS A 22 19.265 -11.648 -0.706 1.00 0.00 C ATOM 296 NZ LYS A 22 18.568 -12.204 0.487 1.00 0.00 N ATOM 0 H LYS A 22 16.678 -7.349 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 22 15.201 -9.678 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.080 -8.815 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.599 -10.467 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.670 -10.331 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.141 -8.674 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.081 -9.741 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.239 -9.739 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.811 -12.050 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.306 -11.970 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.020 -13.098 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.628 -11.524 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.569 -12.378 0.256 1.00 0.00 H new ATOM 310 N GLU A 23 14.445 -7.952 0.819 1.00 0.00 N ATOM 311 CA GLU A 23 13.438 -7.795 1.862 1.00 0.00 C ATOM 312 C GLU A 23 12.054 -7.584 1.256 1.00 0.00 C ATOM 313 O GLU A 23 11.050 -8.050 1.796 1.00 0.00 O ATOM 314 CB GLU A 23 13.794 -6.616 2.771 1.00 0.00 C ATOM 315 CG GLU A 23 13.240 -6.746 4.180 1.00 0.00 C ATOM 316 CD GLU A 23 14.103 -6.046 5.213 1.00 0.00 C ATOM 317 OE1 GLU A 23 14.785 -5.065 4.848 1.00 0.00 O ATOM 318 OE2 GLU A 23 14.096 -6.479 6.384 1.00 0.00 O ATOM 0 H GLU A 23 15.181 -7.246 0.833 1.00 0.00 H new ATOM 0 HA GLU A 23 13.420 -8.710 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.879 -6.523 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.416 -5.696 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.233 -6.329 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.156 -7.802 4.437 1.00 0.00 H new ATOM 325 N ILE A 24 12.009 -6.878 0.131 1.00 0.00 N ATOM 326 CA ILE A 24 10.749 -6.606 -0.549 1.00 0.00 C ATOM 327 C ILE A 24 10.102 -7.894 -1.046 1.00 0.00 C ATOM 328 O ILE A 24 8.929 -8.156 -0.781 1.00 0.00 O ATOM 329 CB ILE A 24 10.947 -5.651 -1.742 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.226 -4.231 -1.246 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.724 -5.672 -2.646 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.100 -3.425 -2.181 1.00 0.00 C ATOM 0 H ILE A 24 12.830 -6.484 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 24 10.094 -6.132 0.181 1.00 0.00 H new ATOM 0 HB ILE A 24 11.807 -5.989 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.278 -3.710 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.706 -4.284 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.879 -4.992 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.567 -6.683 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.848 -5.356 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.256 -2.429 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.062 -3.923 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.613 -3.341 -3.152 1.00 0.00 H new ATOM 344 N LYS A 25 10.877 -8.698 -1.767 1.00 0.00 N ATOM 345 CA LYS A 25 10.382 -9.962 -2.299 1.00 0.00 C ATOM 346 C LYS A 25 9.826 -10.842 -1.184 1.00 0.00 C ATOM 347 O LYS A 25 8.673 -11.272 -1.235 1.00 0.00 O ATOM 348 CB LYS A 25 11.501 -10.702 -3.036 1.00 0.00 C ATOM 349 CG LYS A 25 11.046 -11.991 -3.697 1.00 0.00 C ATOM 350 CD LYS A 25 12.177 -13.002 -3.787 1.00 0.00 C ATOM 351 CE LYS A 25 11.759 -14.239 -4.566 1.00 0.00 C ATOM 352 NZ LYS A 25 12.932 -14.961 -5.132 1.00 0.00 N ATOM 0 H LYS A 25 11.850 -8.496 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 25 9.577 -9.741 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.922 -10.043 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.301 -10.928 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.219 -12.419 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.670 -11.775 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.040 -12.542 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.489 -13.291 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.201 -14.909 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.087 -13.950 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.605 -15.798 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.450 -14.330 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.561 -15.260 -4.360 1.00 0.00 H new ATOM 366 N LYS A 26 10.652 -11.105 -0.177 1.00 0.00 N ATOM 367 CA LYS A 26 10.242 -11.931 0.953 1.00 0.00 C ATOM 368 C LYS A 26 8.964 -11.391 1.586 1.00 0.00 C ATOM 369 O LYS A 26 7.982 -12.117 1.739 1.00 0.00 O ATOM 370 CB LYS A 26 11.358 -11.990 1.999 1.00 0.00 C ATOM 371 CG LYS A 26 10.992 -12.796 3.233 1.00 0.00 C ATOM 372 CD LYS A 26 12.230 -13.242 3.994 1.00 0.00 C ATOM 373 CE LYS A 26 12.909 -14.420 3.312 1.00 0.00 C ATOM 374 NZ LYS A 26 12.354 -15.723 3.772 1.00 0.00 N ATOM 0 H LYS A 26 11.610 -10.758 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 26 10.046 -12.937 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.249 -12.423 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.615 -10.975 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.359 -12.196 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.410 -13.669 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.931 -12.411 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.953 -13.519 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.787 -14.334 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.979 -14.389 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.843 -16.500 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.493 -15.817 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.338 -15.763 3.555 1.00 0.00 H new ATOM 388 N ALA A 27 8.985 -10.114 1.952 1.00 0.00 N ATOM 389 CA ALA A 27 7.826 -9.477 2.566 1.00 0.00 C ATOM 390 C ALA A 27 6.593 -9.609 1.680 1.00 0.00 C ATOM 391 O ALA A 27 5.475 -9.765 2.173 1.00 0.00 O ATOM 392 CB ALA A 27 8.119 -8.011 2.850 1.00 0.00 C ATOM 0 H ALA A 27 9.791 -9.500 1.834 1.00 0.00 H new ATOM 0 HA ALA A 27 7.620 -9.985 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.245 -7.548 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.968 -7.935 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.353 -7.499 1.917 1.00 0.00 H new ATOM 398 N TYR A 28 6.802 -9.547 0.369 1.00 0.00 N ATOM 399 CA TYR A 28 5.706 -9.657 -0.586 1.00 0.00 C ATOM 400 C TYR A 28 5.036 -11.024 -0.491 1.00 0.00 C ATOM 401 O TYR A 28 3.820 -11.122 -0.323 1.00 0.00 O ATOM 402 CB TYR A 28 6.217 -9.426 -2.009 1.00 0.00 C ATOM 403 CG TYR A 28 5.208 -9.775 -3.079 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.921 -9.253 -3.045 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.542 -10.627 -4.125 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.995 -9.571 -4.021 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.623 -10.949 -5.105 1.00 0.00 C ATOM 408 CZ TYR A 28 3.351 -10.419 -5.049 1.00 0.00 C ATOM 409 OH TYR A 28 2.433 -10.736 -6.023 1.00 0.00 O ATOM 0 H TYR A 28 7.721 -9.421 -0.056 1.00 0.00 H new ATOM 0 HA TYR A 28 4.968 -8.893 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.502 -8.380 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.118 -10.020 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.639 -8.587 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.537 -11.044 -4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.998 -9.158 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.899 -11.613 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 28 2.843 -11.343 -6.674 1.00 0.00 H new ATOM 419 N TYR A 29 5.837 -12.078 -0.598 1.00 0.00 N ATOM 420 CA TYR A 29 5.323 -13.440 -0.526 1.00 0.00 C ATOM 421 C TYR A 29 4.740 -13.730 0.854 1.00 0.00 C ATOM 422 O TYR A 29 3.840 -14.557 0.997 1.00 0.00 O ATOM 423 CB TYR A 29 6.433 -14.444 -0.844 1.00 0.00 C ATOM 424 CG TYR A 29 6.686 -14.617 -2.325 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.743 -15.227 -3.144 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.867 -14.172 -2.905 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.971 -15.389 -4.497 1.00 0.00 C ATOM 428 CE2 TYR A 29 8.102 -14.328 -4.257 1.00 0.00 C ATOM 429 CZ TYR A 29 7.151 -14.937 -5.049 1.00 0.00 C ATOM 430 OH TYR A 29 7.382 -15.095 -6.396 1.00 0.00 O ATOM 0 H TYR A 29 6.846 -12.015 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 29 4.528 -13.541 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.355 -14.119 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.172 -15.411 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.817 -15.580 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.615 -13.696 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.229 -15.867 -5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.025 -13.975 -4.692 1.00 0.00 H new ATOM 0 HH TYR A 29 8.259 -14.721 -6.624 1.00 0.00 H new ATOM 440 N GLN A 30 5.261 -13.042 1.865 1.00 0.00 N ATOM 441 CA GLN A 30 4.792 -13.226 3.234 1.00 0.00 C ATOM 442 C GLN A 30 3.372 -12.696 3.398 1.00 0.00 C ATOM 443 O GLN A 30 2.466 -13.430 3.797 1.00 0.00 O ATOM 444 CB GLN A 30 5.730 -12.519 4.215 1.00 0.00 C ATOM 445 CG GLN A 30 6.899 -13.379 4.665 1.00 0.00 C ATOM 446 CD GLN A 30 6.479 -14.487 5.611 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.439 -15.659 5.234 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.162 -14.122 6.847 1.00 0.00 N ATOM 0 H GLN A 30 6.007 -12.353 1.763 1.00 0.00 H new ATOM 0 HA GLN A 30 4.789 -14.294 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.115 -11.613 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.160 -12.209 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.381 -13.816 3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.641 -12.749 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.209 -13.139 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.871 -14.824 7.527 1.00 0.00 H new ATOM 457 N LEU A 31 3.183 -11.418 3.090 1.00 0.00 N ATOM 458 CA LEU A 31 1.871 -10.789 3.204 1.00 0.00 C ATOM 459 C LEU A 31 0.906 -11.351 2.165 1.00 0.00 C ATOM 460 O LEU A 31 -0.227 -11.709 2.486 1.00 0.00 O ATOM 461 CB LEU A 31 1.994 -9.273 3.035 1.00 0.00 C ATOM 462 CG LEU A 31 2.291 -8.478 4.307 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.739 -8.671 4.732 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.986 -7.002 4.097 1.00 0.00 C ATOM 0 H LEU A 31 3.921 -10.797 2.759 1.00 0.00 H new ATOM 0 HA LEU A 31 1.476 -11.007 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.784 -9.071 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.065 -8.899 2.605 1.00 0.00 H new ATOM 0 HG LEU A 31 1.648 -8.851 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.932 -8.098 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.924 -9.728 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.401 -8.326 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.203 -6.452 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.603 -6.615 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.933 -6.881 3.842 1.00 0.00 H new ATOM 476 N ALA A 32 1.363 -11.427 0.920 1.00 0.00 N ATOM 477 CA ALA A 32 0.542 -11.949 -0.165 1.00 0.00 C ATOM 478 C ALA A 32 -0.272 -13.155 0.294 1.00 0.00 C ATOM 479 O ALA A 32 -1.404 -13.357 -0.145 1.00 0.00 O ATOM 480 CB ALA A 32 1.413 -12.321 -1.356 1.00 0.00 C ATOM 0 H ALA A 32 2.298 -11.133 0.637 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.154 -11.167 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.786 -12.709 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.946 -11.437 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.132 -13.083 -1.057 1.00 0.00 H new ATOM 486 N LYS A 33 0.313 -13.955 1.179 1.00 0.00 N ATOM 487 CA LYS A 33 -0.357 -15.141 1.698 1.00 0.00 C ATOM 488 C LYS A 33 -1.185 -14.802 2.933 1.00 0.00 C ATOM 489 O LYS A 33 -2.235 -15.398 3.173 1.00 0.00 O ATOM 490 CB LYS A 33 0.670 -16.223 2.042 1.00 0.00 C ATOM 491 CG LYS A 33 1.000 -17.140 0.877 1.00 0.00 C ATOM 492 CD LYS A 33 1.661 -18.425 1.349 1.00 0.00 C ATOM 493 CE LYS A 33 1.936 -19.369 0.189 1.00 0.00 C ATOM 494 NZ LYS A 33 3.158 -18.978 -0.567 1.00 0.00 N ATOM 0 H LYS A 33 1.250 -13.803 1.552 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.027 -15.516 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.586 -15.745 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.290 -16.823 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.087 -17.378 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.662 -16.623 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.596 -18.189 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.019 -18.920 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.052 -20.385 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.079 -19.376 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.311 -19.646 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.037 -18.019 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.980 -18.996 0.069 1.00 0.00 H new ATOM 508 N LYS A 34 -0.708 -13.838 3.714 1.00 0.00 N ATOM 509 CA LYS A 34 -1.405 -13.416 4.923 1.00 0.00 C ATOM 510 C LYS A 34 -2.750 -12.783 4.582 1.00 0.00 C ATOM 511 O LYS A 34 -3.733 -12.966 5.300 1.00 0.00 O ATOM 512 CB LYS A 34 -0.547 -12.424 5.711 1.00 0.00 C ATOM 513 CG LYS A 34 -1.242 -11.859 6.937 1.00 0.00 C ATOM 514 CD LYS A 34 -2.008 -10.588 6.608 1.00 0.00 C ATOM 515 CE LYS A 34 -2.692 -10.015 7.840 1.00 0.00 C ATOM 516 NZ LYS A 34 -3.954 -10.737 8.160 1.00 0.00 N ATOM 0 H LYS A 34 0.160 -13.334 3.531 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.584 -14.299 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.373 -12.919 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.261 -11.602 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.927 -12.603 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.504 -11.650 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.325 -9.847 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.754 -10.799 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.014 -10.073 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.909 -8.959 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.390 -10.317 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.611 -10.660 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.744 -11.739 8.341 1.00 0.00 H new ATOM 530 N TYR A 35 -2.786 -12.038 3.482 1.00 0.00 N ATOM 531 CA TYR A 35 -4.011 -11.377 3.047 1.00 0.00 C ATOM 532 C TYR A 35 -4.666 -12.143 1.902 1.00 0.00 C ATOM 533 O TYR A 35 -5.420 -11.576 1.111 1.00 0.00 O ATOM 534 CB TYR A 35 -3.713 -9.942 2.610 1.00 0.00 C ATOM 535 CG TYR A 35 -3.390 -9.014 3.759 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.399 -8.486 4.556 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.077 -8.663 4.048 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.109 -7.638 5.607 1.00 0.00 C ATOM 539 CE2 TYR A 35 -1.778 -7.816 5.097 1.00 0.00 C ATOM 540 CZ TYR A 35 -2.797 -7.306 5.874 1.00 0.00 C ATOM 541 OH TYR A 35 -2.503 -6.461 6.919 1.00 0.00 O ATOM 0 H TYR A 35 -1.982 -11.877 2.876 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.702 -11.357 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.875 -9.950 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.574 -9.550 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.427 -8.743 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.276 -9.060 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.905 -7.237 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.752 -7.554 5.308 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.533 -6.330 6.971 1.00 0.00 H new ATOM 551 N HIS A 36 -4.374 -13.438 1.821 1.00 0.00 N ATOM 552 CA HIS A 36 -4.935 -14.284 0.774 1.00 0.00 C ATOM 553 C HIS A 36 -6.459 -14.298 0.845 1.00 0.00 C ATOM 554 O HIS A 36 -7.054 -14.326 1.923 1.00 0.00 O ATOM 555 CB HIS A 36 -4.394 -15.709 0.896 1.00 0.00 C ATOM 556 CG HIS A 36 -4.299 -16.428 -0.414 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.939 -17.623 -0.665 1.00 0.00 N ATOM 558 CD2 HIS A 36 -3.634 -16.113 -1.550 1.00 0.00 C ATOM 559 CE1 HIS A 36 -4.670 -18.013 -1.899 1.00 0.00 C ATOM 560 NE2 HIS A 36 -3.881 -17.114 -2.457 1.00 0.00 N ATOM 0 H HIS A 36 -3.752 -13.924 2.468 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.638 -13.872 -0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.406 -15.676 1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.038 -16.277 1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.023 -15.237 -1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.034 -18.914 -2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.514 -17.156 -3.408 1.00 0.00 H new ATOM 704 N ALA A 46 -9.927 -7.577 2.344 1.00 0.00 N ATOM 705 CA ALA A 46 -8.667 -8.238 2.030 1.00 0.00 C ATOM 706 C ALA A 46 -8.432 -8.286 0.524 1.00 0.00 C ATOM 707 O ALA A 46 -7.307 -8.111 0.055 1.00 0.00 O ATOM 708 CB ALA A 46 -8.648 -9.643 2.615 1.00 0.00 C ATOM 0 HA ALA A 46 -7.860 -7.659 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.701 -10.125 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.761 -9.588 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.469 -10.224 2.194 1.00 0.00 H new ATOM 714 N LYS A 47 -9.500 -8.527 -0.229 1.00 0.00 N ATOM 715 CA LYS A 47 -9.411 -8.598 -1.683 1.00 0.00 C ATOM 716 C LYS A 47 -8.627 -7.413 -2.239 1.00 0.00 C ATOM 717 O LYS A 47 -7.601 -7.590 -2.894 1.00 0.00 O ATOM 718 CB LYS A 47 -10.812 -8.631 -2.299 1.00 0.00 C ATOM 719 CG LYS A 47 -10.808 -8.662 -3.817 1.00 0.00 C ATOM 720 CD LYS A 47 -10.424 -10.034 -4.346 1.00 0.00 C ATOM 721 CE LYS A 47 -11.582 -11.015 -4.240 1.00 0.00 C ATOM 722 NZ LYS A 47 -11.243 -12.338 -4.832 1.00 0.00 N ATOM 0 H LYS A 47 -10.438 -8.677 0.144 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.883 -9.515 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.343 -9.508 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.368 -7.756 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.796 -8.391 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.109 -7.916 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.111 -9.950 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.570 -10.415 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.854 -11.145 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.455 -10.603 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.057 -12.978 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.008 -12.218 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.426 -12.743 -4.332 1.00 0.00 H new ATOM 736 N GLU A 48 -9.118 -6.207 -1.971 1.00 0.00 N ATOM 737 CA GLU A 48 -8.462 -4.994 -2.445 1.00 0.00 C ATOM 738 C GLU A 48 -7.040 -4.896 -1.899 1.00 0.00 C ATOM 739 O GLU A 48 -6.131 -4.426 -2.584 1.00 0.00 O ATOM 740 CB GLU A 48 -9.265 -3.759 -2.033 1.00 0.00 C ATOM 741 CG GLU A 48 -9.066 -2.567 -2.955 1.00 0.00 C ATOM 742 CD GLU A 48 -7.922 -1.674 -2.514 1.00 0.00 C ATOM 743 OE1 GLU A 48 -6.890 -2.213 -2.061 1.00 0.00 O ATOM 744 OE2 GLU A 48 -8.058 -0.438 -2.623 1.00 0.00 O ATOM 0 H GLU A 48 -9.967 -6.044 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.413 -5.039 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.324 -4.016 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.983 -3.474 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.875 -2.923 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.985 -1.983 -2.991 1.00 0.00 H new ATOM 751 N LYS A 49 -6.856 -5.341 -0.661 1.00 0.00 N ATOM 752 CA LYS A 49 -5.547 -5.305 -0.021 1.00 0.00 C ATOM 753 C LYS A 49 -4.539 -6.149 -0.796 1.00 0.00 C ATOM 754 O LYS A 49 -3.401 -5.732 -1.012 1.00 0.00 O ATOM 755 CB LYS A 49 -5.647 -5.808 1.421 1.00 0.00 C ATOM 756 CG LYS A 49 -6.548 -4.958 2.300 1.00 0.00 C ATOM 757 CD LYS A 49 -6.097 -4.984 3.750 1.00 0.00 C ATOM 758 CE LYS A 49 -6.586 -3.759 4.508 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.288 -3.852 5.964 1.00 0.00 N ATOM 0 H LYS A 49 -7.598 -5.731 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.201 -4.271 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.021 -6.832 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.649 -5.836 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.548 -3.930 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.573 -5.321 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.473 -5.886 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.009 -5.029 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.115 -2.866 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.661 -3.648 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.637 -2.998 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.758 -4.690 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.261 -3.933 6.104 1.00 0.00 H new ATOM 773 N PHE A 50 -4.965 -7.337 -1.213 1.00 0.00 N ATOM 774 CA PHE A 50 -4.100 -8.238 -1.964 1.00 0.00 C ATOM 775 C PHE A 50 -3.668 -7.604 -3.283 1.00 0.00 C ATOM 776 O PHE A 50 -2.479 -7.555 -3.600 1.00 0.00 O ATOM 777 CB PHE A 50 -4.819 -9.562 -2.233 1.00 0.00 C ATOM 778 CG PHE A 50 -3.972 -10.567 -2.961 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.795 -10.479 -4.333 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.353 -11.599 -2.274 1.00 0.00 C ATOM 781 CE1 PHE A 50 -3.016 -11.402 -5.006 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.573 -12.524 -2.941 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.405 -12.426 -4.309 1.00 0.00 C ATOM 0 H PHE A 50 -5.904 -7.698 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.210 -8.430 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.142 -9.990 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.718 -9.366 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.271 -9.680 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.482 -11.681 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.885 -11.322 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.095 -13.323 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.797 -13.149 -4.832 1.00 0.00 H new ATOM 793 N SER A 51 -4.642 -7.121 -4.048 1.00 0.00 N ATOM 794 CA SER A 51 -4.363 -6.494 -5.335 1.00 0.00 C ATOM 795 C SER A 51 -3.314 -5.397 -5.188 1.00 0.00 C ATOM 796 O SER A 51 -2.499 -5.180 -6.085 1.00 0.00 O ATOM 797 CB SER A 51 -5.647 -5.912 -5.930 1.00 0.00 C ATOM 798 OG SER A 51 -5.980 -4.679 -5.317 1.00 0.00 O ATOM 0 H SER A 51 -5.631 -7.152 -3.799 1.00 0.00 H new ATOM 0 HA SER A 51 -3.972 -7.258 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.521 -5.766 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.466 -6.620 -5.799 1.00 0.00 H new ATOM 0 HG SER A 51 -5.969 -4.785 -4.343 1.00 0.00 H new ATOM 804 N GLN A 52 -3.340 -4.709 -4.052 1.00 0.00 N ATOM 805 CA GLN A 52 -2.392 -3.633 -3.788 1.00 0.00 C ATOM 806 C GLN A 52 -0.992 -4.189 -3.546 1.00 0.00 C ATOM 807 O GLN A 52 0.000 -3.619 -4.002 1.00 0.00 O ATOM 808 CB GLN A 52 -2.843 -2.813 -2.578 1.00 0.00 C ATOM 809 CG GLN A 52 -3.922 -1.792 -2.904 1.00 0.00 C ATOM 810 CD GLN A 52 -3.433 -0.705 -3.841 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.265 -0.683 -4.229 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.327 0.205 -4.210 1.00 0.00 N ATOM 0 H GLN A 52 -4.007 -4.877 -3.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.361 -2.987 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.215 -3.490 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.980 -2.296 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.773 -2.301 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.277 -1.337 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.285 0.148 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.056 0.961 -4.839 1.00 0.00 H new ATOM 821 N LEU A 53 -0.919 -5.304 -2.828 1.00 0.00 N ATOM 822 CA LEU A 53 0.360 -5.937 -2.526 1.00 0.00 C ATOM 823 C LEU A 53 1.137 -6.232 -3.804 1.00 0.00 C ATOM 824 O LEU A 53 2.221 -5.690 -4.022 1.00 0.00 O ATOM 825 CB LEU A 53 0.138 -7.231 -1.741 1.00 0.00 C ATOM 826 CG LEU A 53 -0.302 -7.067 -0.286 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.861 -8.374 0.254 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.860 -6.587 0.572 1.00 0.00 C ATOM 0 H LEU A 53 -1.730 -5.789 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 53 0.945 -5.246 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.614 -7.824 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.064 -7.805 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.091 -6.316 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.169 -8.237 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.721 -8.676 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.094 -9.147 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.528 -6.476 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.670 -7.315 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.215 -5.626 0.199 1.00 0.00 H new ATOM 840 N ALA A 54 0.575 -7.091 -4.648 1.00 0.00 N ATOM 841 CA ALA A 54 1.214 -7.454 -5.907 1.00 0.00 C ATOM 842 C ALA A 54 1.751 -6.221 -6.626 1.00 0.00 C ATOM 843 O ALA A 54 2.901 -6.198 -7.062 1.00 0.00 O ATOM 844 CB ALA A 54 0.234 -8.203 -6.799 1.00 0.00 C ATOM 0 H ALA A 54 -0.322 -7.549 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 54 2.057 -8.107 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.724 -8.468 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.098 -9.110 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.627 -7.568 -7.007 1.00 0.00 H new ATOM 850 N GLU A 55 0.910 -5.199 -6.745 1.00 0.00 N ATOM 851 CA GLU A 55 1.301 -3.963 -7.413 1.00 0.00 C ATOM 852 C GLU A 55 2.510 -3.333 -6.728 1.00 0.00 C ATOM 853 O GLU A 55 3.501 -3.001 -7.377 1.00 0.00 O ATOM 854 CB GLU A 55 0.134 -2.972 -7.425 1.00 0.00 C ATOM 855 CG GLU A 55 0.465 -1.651 -8.098 1.00 0.00 C ATOM 856 CD GLU A 55 1.165 -1.834 -9.431 1.00 0.00 C ATOM 857 OE1 GLU A 55 0.748 -2.723 -10.202 1.00 0.00 O ATOM 858 OE2 GLU A 55 2.130 -1.089 -9.702 1.00 0.00 O ATOM 0 H GLU A 55 -0.046 -5.202 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 55 1.573 -4.206 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.714 -3.428 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.179 -2.779 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.454 -1.084 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.099 -1.060 -7.437 1.00 0.00 H new ATOM 865 N ALA A 56 2.420 -3.173 -5.412 1.00 0.00 N ATOM 866 CA ALA A 56 3.506 -2.585 -4.638 1.00 0.00 C ATOM 867 C ALA A 56 4.818 -3.323 -4.884 1.00 0.00 C ATOM 868 O ALA A 56 5.867 -2.703 -5.056 1.00 0.00 O ATOM 869 CB ALA A 56 3.163 -2.594 -3.156 1.00 0.00 C ATOM 0 H ALA A 56 1.606 -3.442 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 56 3.634 -1.553 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.983 -2.152 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.254 -2.016 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.006 -3.621 -2.825 1.00 0.00 H new ATOM 875 N TYR A 57 4.751 -4.649 -4.899 1.00 0.00 N ATOM 876 CA TYR A 57 5.934 -5.472 -5.120 1.00 0.00 C ATOM 877 C TYR A 57 6.476 -5.276 -6.533 1.00 0.00 C ATOM 878 O TYR A 57 7.681 -5.118 -6.730 1.00 0.00 O ATOM 879 CB TYR A 57 5.605 -6.948 -4.888 1.00 0.00 C ATOM 880 CG TYR A 57 6.656 -7.894 -5.424 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.905 -7.990 -4.822 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.400 -8.692 -6.532 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.868 -8.852 -5.309 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.357 -9.558 -7.025 1.00 0.00 C ATOM 885 CZ TYR A 57 8.589 -9.634 -6.410 1.00 0.00 C ATOM 886 OH TYR A 57 9.546 -10.495 -6.897 1.00 0.00 O ATOM 0 H TYR A 57 3.890 -5.177 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 57 6.700 -5.162 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.484 -7.121 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.649 -7.177 -5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.126 -7.380 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.436 -8.634 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.834 -8.913 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.141 -10.172 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 57 9.190 -10.973 -7.675 1.00 0.00 H new ATOM 896 N GLU A 58 5.578 -5.288 -7.512 1.00 0.00 N ATOM 897 CA GLU A 58 5.966 -5.112 -8.907 1.00 0.00 C ATOM 898 C GLU A 58 6.803 -3.849 -9.083 1.00 0.00 C ATOM 899 O GLU A 58 7.803 -3.849 -9.801 1.00 0.00 O ATOM 900 CB GLU A 58 4.725 -5.044 -9.800 1.00 0.00 C ATOM 901 CG GLU A 58 5.032 -4.670 -11.240 1.00 0.00 C ATOM 902 CD GLU A 58 5.576 -5.836 -12.042 1.00 0.00 C ATOM 903 OE1 GLU A 58 4.765 -6.656 -12.521 1.00 0.00 O ATOM 904 OE2 GLU A 58 6.813 -5.929 -12.191 1.00 0.00 O ATOM 0 H GLU A 58 4.577 -5.418 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 58 6.569 -5.971 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.222 -6.011 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.028 -4.316 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.125 -4.298 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.756 -3.855 -11.253 1.00 0.00 H new ATOM 911 N VAL A 59 6.386 -2.773 -8.423 1.00 0.00 N ATOM 912 CA VAL A 59 7.097 -1.503 -8.505 1.00 0.00 C ATOM 913 C VAL A 59 8.374 -1.532 -7.674 1.00 0.00 C ATOM 914 O VAL A 59 9.477 -1.392 -8.204 1.00 0.00 O ATOM 915 CB VAL A 59 6.214 -0.334 -8.029 1.00 0.00 C ATOM 916 CG1 VAL A 59 7.061 0.903 -7.769 1.00 0.00 C ATOM 917 CG2 VAL A 59 5.125 -0.039 -9.049 1.00 0.00 C ATOM 0 H VAL A 59 5.559 -2.756 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 59 7.354 -1.352 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 59 5.735 -0.621 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.420 1.719 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.801 0.682 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.570 1.195 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.511 0.790 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.582 0.228 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.501 -0.923 -9.181 1.00 0.00 H new ATOM 927 N LEU A 60 8.219 -1.716 -6.367 1.00 0.00 N ATOM 928 CA LEU A 60 9.360 -1.765 -5.460 1.00 0.00 C ATOM 929 C LEU A 60 10.479 -2.626 -6.038 1.00 0.00 C ATOM 930 O LEU A 60 11.633 -2.203 -6.098 1.00 0.00 O ATOM 931 CB LEU A 60 8.931 -2.314 -4.098 1.00 0.00 C ATOM 932 CG LEU A 60 7.962 -1.442 -3.298 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.447 -2.195 -2.081 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.636 -0.143 -2.879 1.00 0.00 C ATOM 0 H LEU A 60 7.314 -1.834 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 60 9.736 -0.750 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.469 -3.289 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.825 -2.476 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 60 7.112 -1.198 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.759 -1.559 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.927 -3.097 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.286 -2.470 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.932 0.465 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.504 -0.367 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.955 0.404 -3.766 1.00 0.00 H new ATOM 946 N SER A 61 10.127 -3.835 -6.465 1.00 0.00 N ATOM 947 CA SER A 61 11.102 -4.756 -7.037 1.00 0.00 C ATOM 948 C SER A 61 11.867 -4.096 -8.181 1.00 0.00 C ATOM 949 O SER A 61 13.080 -4.267 -8.311 1.00 0.00 O ATOM 950 CB SER A 61 10.405 -6.022 -7.539 1.00 0.00 C ATOM 951 OG SER A 61 9.595 -5.745 -8.668 1.00 0.00 O ATOM 0 H SER A 61 9.175 -4.199 -6.426 1.00 0.00 H new ATOM 0 HA SER A 61 11.812 -5.026 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.151 -6.773 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.792 -6.444 -6.742 1.00 0.00 H new ATOM 0 HG SER A 61 8.686 -5.530 -8.373 1.00 0.00 H new ATOM 957 N ASP A 62 11.150 -3.342 -9.006 1.00 0.00 N ATOM 958 CA ASP A 62 11.760 -2.655 -10.138 1.00 0.00 C ATOM 959 C ASP A 62 12.287 -1.285 -9.723 1.00 0.00 C ATOM 960 O ASP A 62 11.548 -0.301 -9.718 1.00 0.00 O ATOM 961 CB ASP A 62 10.749 -2.503 -11.275 1.00 0.00 C ATOM 962 CG ASP A 62 11.410 -2.478 -12.639 1.00 0.00 C ATOM 963 OD1 ASP A 62 12.259 -1.592 -12.871 1.00 0.00 O ATOM 964 OD2 ASP A 62 11.079 -3.345 -13.476 1.00 0.00 O ATOM 0 H ASP A 62 10.146 -3.191 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 62 12.599 -3.257 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.036 -3.326 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.182 -1.583 -11.132 1.00 0.00 H new ATOM 969 N GLU A 63 13.568 -1.230 -9.374 1.00 0.00 N ATOM 970 CA GLU A 63 14.192 0.020 -8.954 1.00 0.00 C ATOM 971 C GLU A 63 13.739 1.178 -9.839 1.00 0.00 C ATOM 972 O GLU A 63 13.541 2.296 -9.365 1.00 0.00 O ATOM 973 CB GLU A 63 15.717 -0.105 -9.000 1.00 0.00 C ATOM 974 CG GLU A 63 16.261 -0.416 -10.384 1.00 0.00 C ATOM 975 CD GLU A 63 17.703 -0.884 -10.352 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.945 -2.035 -9.935 1.00 0.00 O ATOM 977 OE2 GLU A 63 18.590 -0.096 -10.744 1.00 0.00 O ATOM 0 H GLU A 63 14.194 -2.035 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 63 13.882 0.225 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.160 0.826 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.030 -0.890 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.644 -1.185 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.186 0.474 -11.009 1.00 0.00 H new ATOM 984 N VAL A 64 13.579 0.901 -11.130 1.00 0.00 N ATOM 985 CA VAL A 64 13.149 1.918 -12.082 1.00 0.00 C ATOM 986 C VAL A 64 11.757 2.438 -11.740 1.00 0.00 C ATOM 987 O VAL A 64 11.542 3.646 -11.633 1.00 0.00 O ATOM 988 CB VAL A 64 13.141 1.371 -13.522 1.00 0.00 C ATOM 989 CG1 VAL A 64 12.661 2.436 -14.495 1.00 0.00 C ATOM 990 CG2 VAL A 64 14.524 0.868 -13.908 1.00 0.00 C ATOM 0 H VAL A 64 13.741 -0.019 -11.540 1.00 0.00 H new ATOM 0 HA VAL A 64 13.866 2.737 -12.016 1.00 0.00 H new ATOM 0 HB VAL A 64 12.448 0.531 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.662 2.031 -15.507 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.650 2.743 -14.228 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.326 3.298 -14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 64 14.500 0.485 -14.928 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.240 1.687 -13.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 14.824 0.071 -13.228 1.00 0.00 H new ATOM 1000 N LYS A 65 10.814 1.519 -11.568 1.00 0.00 N ATOM 1001 CA LYS A 65 9.441 1.883 -11.236 1.00 0.00 C ATOM 1002 C LYS A 65 9.374 2.562 -9.873 1.00 0.00 C ATOM 1003 O LYS A 65 8.586 3.486 -9.667 1.00 0.00 O ATOM 1004 CB LYS A 65 8.547 0.641 -11.244 1.00 0.00 C ATOM 1005 CG LYS A 65 8.547 -0.101 -12.570 1.00 0.00 C ATOM 1006 CD LYS A 65 7.707 -1.365 -12.501 1.00 0.00 C ATOM 1007 CE LYS A 65 7.380 -1.892 -13.890 1.00 0.00 C ATOM 1008 NZ LYS A 65 7.020 -3.337 -13.864 1.00 0.00 N ATOM 0 H LYS A 65 10.975 0.515 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 65 9.084 2.585 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.876 -0.038 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.526 0.937 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.161 0.551 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.570 -0.357 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.243 -2.129 -11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.782 -1.160 -11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.553 -1.319 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.237 -1.743 -14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.609 -3.854 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.182 -3.718 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.017 -3.450 -14.116 1.00 0.00 H new ATOM 1022 N ARG A 66 10.205 2.101 -8.944 1.00 0.00 N ATOM 1023 CA ARG A 66 10.239 2.665 -7.600 1.00 0.00 C ATOM 1024 C ARG A 66 10.667 4.129 -7.636 1.00 0.00 C ATOM 1025 O ARG A 66 10.026 4.989 -7.031 1.00 0.00 O ATOM 1026 CB ARG A 66 11.195 1.865 -6.713 1.00 0.00 C ATOM 1027 CG ARG A 66 10.802 1.860 -5.244 1.00 0.00 C ATOM 1028 CD ARG A 66 11.708 0.952 -4.428 1.00 0.00 C ATOM 1029 NE ARG A 66 12.871 1.664 -3.907 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.990 1.848 -4.598 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.097 1.375 -5.833 1.00 0.00 N ATOM 1032 NH2 ARG A 66 15.006 2.507 -4.056 1.00 0.00 N ATOM 0 H ARG A 66 10.864 1.338 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 66 9.233 2.608 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.237 0.837 -7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.199 2.278 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.852 2.875 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.768 1.529 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.143 0.526 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.041 0.120 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 66 12.821 2.041 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.318 0.868 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.958 1.518 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.928 2.873 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.865 2.647 -4.588 1.00 0.00 H new ATOM 1046 N LYS A 67 11.754 4.406 -8.349 1.00 0.00 N ATOM 1047 CA LYS A 67 12.267 5.765 -8.465 1.00 0.00 C ATOM 1048 C LYS A 67 11.138 6.751 -8.745 1.00 0.00 C ATOM 1049 O LYS A 67 11.027 7.784 -8.085 1.00 0.00 O ATOM 1050 CB LYS A 67 13.315 5.843 -9.578 1.00 0.00 C ATOM 1051 CG LYS A 67 14.331 6.955 -9.380 1.00 0.00 C ATOM 1052 CD LYS A 67 15.470 6.854 -10.381 1.00 0.00 C ATOM 1053 CE LYS A 67 16.583 5.951 -9.870 1.00 0.00 C ATOM 1054 NZ LYS A 67 17.256 6.525 -8.672 1.00 0.00 N ATOM 0 H LYS A 67 12.297 3.706 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 67 12.732 6.033 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.840 4.890 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.809 5.990 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.839 7.922 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.730 6.908 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.091 6.467 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.870 7.848 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.172 4.973 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.318 5.797 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.229 6.162 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.278 7.562 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.732 6.253 -7.816 1.00 0.00 H new ATOM 1068 N GLN A 68 10.304 6.425 -9.727 1.00 0.00 N ATOM 1069 CA GLN A 68 9.183 7.283 -10.093 1.00 0.00 C ATOM 1070 C GLN A 68 8.176 7.380 -8.951 1.00 0.00 C ATOM 1071 O GLN A 68 7.579 8.433 -8.725 1.00 0.00 O ATOM 1072 CB GLN A 68 8.495 6.750 -11.351 1.00 0.00 C ATOM 1073 CG GLN A 68 9.416 6.660 -12.556 1.00 0.00 C ATOM 1074 CD GLN A 68 8.663 6.706 -13.871 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.635 7.734 -14.548 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.048 5.588 -14.240 1.00 0.00 N ATOM 0 H GLN A 68 10.383 5.574 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 68 9.573 8.281 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.088 5.761 -11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.652 7.397 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.132 7.481 -12.523 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.989 5.734 -12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.098 4.759 -13.648 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.526 5.558 -15.116 1.00 0.00 H new ATOM 1085 N TYR A 69 7.993 6.276 -8.235 1.00 0.00 N ATOM 1086 CA TYR A 69 7.056 6.236 -7.118 1.00 0.00 C ATOM 1087 C TYR A 69 7.484 7.198 -6.014 1.00 0.00 C ATOM 1088 O TYR A 69 6.660 7.916 -5.447 1.00 0.00 O ATOM 1089 CB TYR A 69 6.955 4.816 -6.561 1.00 0.00 C ATOM 1090 CG TYR A 69 6.594 4.765 -5.094 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.593 5.577 -4.575 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.255 3.904 -4.225 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.261 5.534 -3.235 1.00 0.00 C ATOM 1094 CE2 TYR A 69 6.928 3.854 -2.884 1.00 0.00 C ATOM 1095 CZ TYR A 69 5.931 4.671 -2.394 1.00 0.00 C ATOM 1096 OH TYR A 69 5.603 4.625 -1.058 1.00 0.00 O ATOM 0 H TYR A 69 8.481 5.397 -8.408 1.00 0.00 H new ATOM 0 HA TYR A 69 6.078 6.545 -7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.207 4.264 -7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.908 4.308 -6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.065 6.254 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.037 3.264 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.481 6.173 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.450 3.179 -2.223 1.00 0.00 H new ATOM 0 HH TYR A 69 6.375 4.313 -0.542 1.00 0.00 H new ATOM 1106 N ASP A 70 8.778 7.207 -5.715 1.00 0.00 N ATOM 1107 CA ASP A 70 9.317 8.082 -4.680 1.00 0.00 C ATOM 1108 C ASP A 70 9.393 9.524 -5.172 1.00 0.00 C ATOM 1109 O ASP A 70 9.135 10.462 -4.419 1.00 0.00 O ATOM 1110 CB ASP A 70 10.705 7.603 -4.250 1.00 0.00 C ATOM 1111 CG ASP A 70 11.064 8.054 -2.848 1.00 0.00 C ATOM 1112 OD1 ASP A 70 10.168 8.060 -1.979 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.242 8.402 -2.620 1.00 0.00 O ATOM 0 H ASP A 70 9.473 6.619 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 70 8.646 8.045 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.742 6.515 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.450 7.979 -4.951 1.00 0.00 H new