USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 640 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 21 GLN : amide:sc= 0.373 K(o=0.93,f=-3.9) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 157:sc= 0.561 (180deg=-0.138) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0165) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00713) USER MOD Single : A 19 TYR OH : rot -147:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= 0.99! (180deg=0.659!) USER MOD Single : A 28 HIS : no HE2:sc= -0.277 K(o=-0.28,f=-1.9) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.00571 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.374 USER MOD Single : A 51 THR OG1 : rot 29:sc= 0.0493 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.0223 K(o=0.022,f=-1.4) USER MOD Single : A 59 SER OG : rot 75:sc= 1.65 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.07) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=-0.000869 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 2.6 (180deg=2.51) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 1.59 (180deg=1.38) USER MOD Single : A 78 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.22 (180deg=0.859) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 87 CYS SG : rot 164:sc= 0.903 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.331 1.762 -0.579 1.00 0.00 N ATOM 21 CA ALA A 2 4.211 2.543 -1.456 1.00 0.00 C ATOM 22 C ALA A 2 3.324 3.495 -2.276 1.00 0.00 C ATOM 23 O ALA A 2 2.098 3.352 -2.260 1.00 0.00 O ATOM 24 CB ALA A 2 4.993 1.609 -2.396 1.00 0.00 C ATOM 0 HA ALA A 2 4.934 3.106 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.642 2.202 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.599 0.922 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.293 1.041 -3.009 1.00 0.00 H new ATOM 30 N LEU A 3 3.910 4.415 -3.035 1.00 0.00 N ATOM 31 CA LEU A 3 3.249 5.154 -4.088 1.00 0.00 C ATOM 32 C LEU A 3 3.919 4.832 -5.429 1.00 0.00 C ATOM 33 O LEU A 3 5.069 4.408 -5.471 1.00 0.00 O ATOM 34 CB LEU A 3 3.378 6.652 -3.770 1.00 0.00 C ATOM 35 CG LEU A 3 2.074 7.436 -3.516 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.913 7.075 -4.447 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.590 7.232 -2.080 1.00 0.00 C ATOM 0 H LEU A 3 4.891 4.670 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 3 2.196 4.881 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.011 6.757 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.902 7.129 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 3 2.345 8.473 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.041 7.677 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.200 7.272 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.670 6.019 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.669 7.794 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.403 6.172 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.353 7.584 -1.385 1.00 0.00 H new ATOM 49 N ALA A 4 3.213 5.121 -6.515 1.00 0.00 N ATOM 50 CA ALA A 4 3.666 4.937 -7.897 1.00 0.00 C ATOM 51 C ALA A 4 3.417 6.203 -8.739 1.00 0.00 C ATOM 52 O ALA A 4 2.291 6.713 -8.727 1.00 0.00 O ATOM 53 CB ALA A 4 2.932 3.708 -8.448 1.00 0.00 C ATOM 0 H ALA A 4 2.270 5.506 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 4 4.743 4.771 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.240 3.532 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.178 2.836 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.856 3.881 -8.415 1.00 0.00 H new ATOM 59 N VAL A 5 4.438 6.730 -9.432 1.00 0.00 N ATOM 60 CA VAL A 5 4.405 8.050 -10.096 1.00 0.00 C ATOM 61 C VAL A 5 5.021 7.990 -11.500 1.00 0.00 C ATOM 62 O VAL A 5 5.945 7.225 -11.769 1.00 0.00 O ATOM 63 CB VAL A 5 5.086 9.139 -9.234 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.922 10.592 -9.707 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.623 9.133 -7.773 1.00 0.00 C ATOM 0 H VAL A 5 5.327 6.245 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 5 3.357 8.327 -10.207 1.00 0.00 H new ATOM 0 HB VAL A 5 6.130 8.847 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.444 11.259 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.343 10.699 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.863 10.850 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.139 9.921 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.548 9.307 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.852 8.167 -7.323 1.00 0.00 H new ATOM 75 N ARG A 6 4.492 8.806 -12.406 1.00 0.00 N ATOM 76 CA ARG A 6 4.819 8.941 -13.835 1.00 0.00 C ATOM 77 C ARG A 6 4.968 10.409 -14.256 1.00 0.00 C ATOM 78 O ARG A 6 4.558 11.310 -13.523 1.00 0.00 O ATOM 79 CB ARG A 6 3.779 8.161 -14.672 1.00 0.00 C ATOM 80 CG ARG A 6 4.370 6.969 -15.442 1.00 0.00 C ATOM 81 CD ARG A 6 5.176 5.961 -14.627 1.00 0.00 C ATOM 82 NE ARG A 6 4.386 5.220 -13.632 1.00 0.00 N ATOM 83 CZ ARG A 6 4.902 4.491 -12.660 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.182 4.415 -12.451 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.138 3.838 -11.848 1.00 0.00 N ATOM 0 H ARG A 6 3.751 9.455 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 6 5.797 8.499 -14.025 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.991 7.800 -14.011 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.311 8.844 -15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.552 6.438 -15.928 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.011 7.358 -16.233 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.641 5.249 -15.309 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.983 6.486 -14.116 1.00 0.00 H new ATOM 0 HE ARG A 6 3.369 5.273 -13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.828 4.930 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.541 3.840 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.125 3.882 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.548 3.278 -11.101 1.00 0.00 H new ATOM 99 N VAL A 7 5.566 10.639 -15.426 1.00 0.00 N ATOM 100 CA VAL A 7 5.905 11.941 -16.034 1.00 0.00 C ATOM 101 C VAL A 7 5.917 11.763 -17.553 1.00 0.00 C ATOM 102 O VAL A 7 6.940 11.344 -18.104 1.00 0.00 O ATOM 103 CB VAL A 7 7.288 12.498 -15.594 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.545 13.886 -16.209 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.466 12.657 -14.085 1.00 0.00 C ATOM 0 H VAL A 7 5.851 9.864 -16.025 1.00 0.00 H new ATOM 0 HA VAL A 7 5.156 12.659 -15.699 1.00 0.00 H new ATOM 0 HB VAL A 7 7.993 11.746 -15.949 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.519 14.253 -15.885 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.529 13.811 -17.296 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.769 14.578 -15.881 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.460 13.051 -13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.714 13.346 -13.701 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.351 11.687 -13.601 1.00 0.00 H new ATOM 115 N VAL A 8 4.823 12.061 -18.248 1.00 0.00 N ATOM 116 CA VAL A 8 4.804 12.058 -19.720 1.00 0.00 C ATOM 117 C VAL A 8 5.391 13.351 -20.255 1.00 0.00 C ATOM 118 O VAL A 8 4.989 14.422 -19.811 1.00 0.00 O ATOM 119 CB VAL A 8 3.404 11.763 -20.289 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.303 12.723 -19.852 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.421 11.709 -21.824 1.00 0.00 C ATOM 0 H VAL A 8 3.931 12.309 -17.820 1.00 0.00 H new ATOM 0 HA VAL A 8 5.435 11.238 -20.064 1.00 0.00 H new ATOM 0 HB VAL A 8 3.159 10.790 -19.864 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.359 12.426 -20.309 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.206 12.695 -18.767 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.556 13.735 -20.168 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.417 11.499 -22.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.759 12.668 -22.218 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.100 10.922 -22.153 1.00 0.00 H new ATOM 131 N TYR A 9 6.361 13.270 -21.170 1.00 0.00 N ATOM 132 CA TYR A 9 6.859 14.439 -21.900 1.00 0.00 C ATOM 133 C TYR A 9 7.559 14.025 -23.210 1.00 0.00 C ATOM 134 O TYR A 9 7.800 12.848 -23.469 1.00 0.00 O ATOM 135 CB TYR A 9 7.815 15.245 -20.995 1.00 0.00 C ATOM 136 CG TYR A 9 8.370 16.538 -21.577 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.506 17.497 -22.144 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.758 16.786 -21.544 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.024 18.696 -22.673 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.280 17.987 -22.062 1.00 0.00 C ATOM 141 CZ TYR A 9 9.413 18.937 -22.640 1.00 0.00 C ATOM 142 OH TYR A 9 9.911 20.093 -23.153 1.00 0.00 O ATOM 0 H TYR A 9 6.821 12.396 -21.425 1.00 0.00 H new ATOM 0 HA TYR A 9 6.011 15.068 -22.171 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.289 15.485 -20.071 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.654 14.603 -20.727 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.442 17.312 -22.173 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.425 16.050 -21.119 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.358 19.429 -23.103 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.342 18.180 -22.017 1.00 0.00 H new ATOM 0 HH TYR A 9 10.886 20.103 -23.051 1.00 0.00 H new ATOM 152 N SER A 10 7.956 15.007 -24.021 1.00 0.00 N ATOM 153 CA SER A 10 8.873 14.857 -25.147 1.00 0.00 C ATOM 154 C SER A 10 10.321 14.724 -24.669 1.00 0.00 C ATOM 155 O SER A 10 10.867 15.624 -24.034 1.00 0.00 O ATOM 156 CB SER A 10 8.783 16.085 -26.049 1.00 0.00 C ATOM 157 OG SER A 10 9.704 15.949 -27.109 1.00 0.00 O ATOM 0 H SER A 10 7.633 15.967 -23.904 1.00 0.00 H new ATOM 0 HA SER A 10 8.588 13.955 -25.689 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.771 16.190 -26.441 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.998 16.988 -25.477 1.00 0.00 H new ATOM 0 HG SER A 10 9.649 16.734 -27.693 1.00 0.00 H new ATOM 163 N GLY A 11 10.990 13.642 -25.049 1.00 0.00 N ATOM 164 CA GLY A 11 12.426 13.429 -24.825 1.00 0.00 C ATOM 165 C GLY A 11 13.376 14.393 -25.569 1.00 0.00 C ATOM 166 O GLY A 11 14.593 14.265 -25.452 1.00 0.00 O ATOM 0 H GLY A 11 10.543 12.865 -25.535 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.623 13.509 -23.756 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.672 12.409 -25.119 1.00 0.00 H new ATOM 170 N ALA A 12 12.851 15.329 -26.370 1.00 0.00 N ATOM 171 CA ALA A 12 13.576 15.936 -27.497 1.00 0.00 C ATOM 172 C ALA A 12 14.639 16.988 -27.124 1.00 0.00 C ATOM 173 O ALA A 12 15.533 17.266 -27.921 1.00 0.00 O ATOM 174 CB ALA A 12 12.546 16.544 -28.457 1.00 0.00 C ATOM 0 H ALA A 12 11.904 15.690 -26.254 1.00 0.00 H new ATOM 0 HA ALA A 12 14.149 15.132 -27.958 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.061 17.001 -29.302 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.879 15.761 -28.819 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.964 17.303 -27.934 1.00 0.00 H new ATOM 180 N CYS A 13 14.561 17.590 -25.933 1.00 0.00 N ATOM 181 CA CYS A 13 15.461 18.672 -25.522 1.00 0.00 C ATOM 182 C CYS A 13 15.858 18.560 -24.041 1.00 0.00 C ATOM 183 O CYS A 13 15.160 19.052 -23.151 1.00 0.00 O ATOM 184 CB CYS A 13 14.814 20.020 -25.870 1.00 0.00 C ATOM 185 SG CYS A 13 16.045 21.345 -25.704 1.00 0.00 S ATOM 0 H CYS A 13 13.870 17.340 -25.225 1.00 0.00 H new ATOM 0 HA CYS A 13 16.398 18.591 -26.072 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.425 19.996 -26.888 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.968 20.210 -25.210 1.00 0.00 H new ATOM 0 HG CYS A 13 15.497 22.486 -26.001 1.00 0.00 H new ATOM 191 N GLY A 14 16.984 17.888 -23.768 1.00 0.00 N ATOM 192 CA GLY A 14 17.585 17.806 -22.428 1.00 0.00 C ATOM 193 C GLY A 14 16.704 17.143 -21.360 1.00 0.00 C ATOM 194 O GLY A 14 16.866 17.420 -20.173 1.00 0.00 O ATOM 0 H GLY A 14 17.510 17.380 -24.479 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.521 17.252 -22.500 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.835 18.814 -22.096 1.00 0.00 H new ATOM 198 N TYR A 15 15.753 16.293 -21.762 1.00 0.00 N ATOM 199 CA TYR A 15 14.685 15.805 -20.882 1.00 0.00 C ATOM 200 C TYR A 15 15.194 15.101 -19.609 1.00 0.00 C ATOM 201 O TYR A 15 14.654 15.327 -18.533 1.00 0.00 O ATOM 202 CB TYR A 15 13.731 14.897 -21.672 1.00 0.00 C ATOM 203 CG TYR A 15 14.170 13.446 -21.707 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.272 13.055 -22.495 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.543 12.514 -20.856 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.767 11.742 -22.399 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.022 11.196 -20.774 1.00 0.00 C ATOM 208 CZ TYR A 15 15.145 10.815 -21.538 1.00 0.00 C ATOM 209 OH TYR A 15 15.642 9.557 -21.437 1.00 0.00 O ATOM 0 H TYR A 15 15.702 15.922 -22.711 1.00 0.00 H new ATOM 0 HA TYR A 15 14.148 16.685 -20.528 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.736 14.957 -21.231 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.650 15.269 -22.693 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.734 13.761 -23.169 1.00 0.00 H new ATOM 0 HD2 TYR A 15 12.691 12.814 -20.264 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.624 11.444 -22.985 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.534 10.479 -20.130 1.00 0.00 H new ATOM 0 HH TYR A 15 15.102 9.042 -20.802 1.00 0.00 H new ATOM 219 N LYS A 16 16.242 14.271 -19.702 1.00 0.00 N ATOM 220 CA LYS A 16 16.738 13.435 -18.593 1.00 0.00 C ATOM 221 C LYS A 16 17.150 14.245 -17.345 1.00 0.00 C ATOM 222 O LYS A 16 16.627 13.950 -16.268 1.00 0.00 O ATOM 223 CB LYS A 16 17.797 12.439 -19.116 1.00 0.00 C ATOM 224 CG LYS A 16 17.788 11.076 -18.396 1.00 0.00 C ATOM 225 CD LYS A 16 18.433 11.039 -16.999 1.00 0.00 C ATOM 226 CE LYS A 16 19.942 11.333 -16.994 1.00 0.00 C ATOM 227 NZ LYS A 16 20.719 10.303 -17.732 1.00 0.00 N ATOM 0 H LYS A 16 16.779 14.158 -20.562 1.00 0.00 H new ATOM 0 HA LYS A 16 15.911 12.835 -18.214 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.633 12.276 -20.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.785 12.887 -19.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.754 10.744 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.300 10.351 -19.029 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.931 11.765 -16.360 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.264 10.056 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.121 12.310 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.297 11.384 -15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.734 10.515 -17.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.531 9.366 -17.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.436 10.306 -18.733 1.00 0.00 H new ATOM 241 N PRO A 17 18.043 15.257 -17.413 1.00 0.00 N ATOM 242 CA PRO A 17 18.294 16.137 -16.267 1.00 0.00 C ATOM 243 C PRO A 17 17.072 16.987 -15.876 1.00 0.00 C ATOM 244 O PRO A 17 16.847 17.199 -14.690 1.00 0.00 O ATOM 245 CB PRO A 17 19.506 16.994 -16.648 1.00 0.00 C ATOM 246 CG PRO A 17 19.493 16.987 -18.175 1.00 0.00 C ATOM 247 CD PRO A 17 18.936 15.603 -18.511 1.00 0.00 C ATOM 0 HA PRO A 17 18.495 15.547 -15.372 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.420 18.006 -16.252 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.432 16.575 -16.254 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.865 17.782 -18.576 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.492 17.131 -18.587 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.401 15.617 -19.461 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.738 14.872 -18.608 1.00 0.00 H new ATOM 255 N LYS A 18 16.237 17.413 -16.838 1.00 0.00 N ATOM 256 CA LYS A 18 14.971 18.134 -16.591 1.00 0.00 C ATOM 257 C LYS A 18 14.046 17.333 -15.660 1.00 0.00 C ATOM 258 O LYS A 18 13.582 17.854 -14.649 1.00 0.00 O ATOM 259 CB LYS A 18 14.308 18.467 -17.947 1.00 0.00 C ATOM 260 CG LYS A 18 13.448 19.738 -17.967 1.00 0.00 C ATOM 261 CD LYS A 18 14.285 21.023 -17.813 1.00 0.00 C ATOM 262 CE LYS A 18 13.628 22.228 -18.501 1.00 0.00 C ATOM 263 NZ LYS A 18 13.773 22.177 -19.982 1.00 0.00 N ATOM 0 H LYS A 18 16.424 17.264 -17.830 1.00 0.00 H new ATOM 0 HA LYS A 18 15.176 19.071 -16.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.090 18.567 -18.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.685 17.623 -18.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.892 19.781 -18.904 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.714 19.688 -17.163 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.421 21.241 -16.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.277 20.862 -18.235 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.570 22.260 -18.242 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.076 23.148 -18.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.390 23.050 -20.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.779 22.087 -20.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.251 21.358 -20.354 1.00 0.00 H new ATOM 277 N TYR A 19 13.866 16.047 -15.965 1.00 0.00 N ATOM 278 CA TYR A 19 13.191 15.042 -15.148 1.00 0.00 C ATOM 279 C TYR A 19 13.840 14.931 -13.773 1.00 0.00 C ATOM 280 O TYR A 19 13.151 15.106 -12.775 1.00 0.00 O ATOM 281 CB TYR A 19 13.231 13.674 -15.852 1.00 0.00 C ATOM 282 CG TYR A 19 12.097 13.379 -16.809 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.599 14.377 -17.667 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.543 12.082 -16.838 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.539 14.086 -18.540 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.492 11.784 -17.722 1.00 0.00 C ATOM 287 CZ TYR A 19 9.983 12.793 -18.565 1.00 0.00 C ATOM 288 OH TYR A 19 8.931 12.526 -19.369 1.00 0.00 O ATOM 0 H TYR A 19 14.209 15.657 -16.843 1.00 0.00 H new ATOM 0 HA TYR A 19 12.154 15.352 -15.018 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.170 13.599 -16.401 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.245 12.896 -15.088 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.032 15.366 -17.654 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.927 11.317 -16.180 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.150 14.854 -19.192 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.077 10.788 -17.755 1.00 0.00 H new ATOM 0 HH TYR A 19 8.359 11.852 -18.946 1.00 0.00 H new ATOM 298 N LEU A 20 15.147 14.637 -13.718 1.00 0.00 N ATOM 299 CA LEU A 20 15.893 14.487 -12.467 1.00 0.00 C ATOM 300 C LEU A 20 15.683 15.663 -11.517 1.00 0.00 C ATOM 301 O LEU A 20 15.392 15.442 -10.355 1.00 0.00 O ATOM 302 CB LEU A 20 17.384 14.260 -12.736 1.00 0.00 C ATOM 303 CG LEU A 20 17.738 12.806 -13.091 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.179 12.740 -13.601 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.622 11.868 -11.883 1.00 0.00 C ATOM 0 H LEU A 20 15.719 14.496 -14.551 1.00 0.00 H new ATOM 0 HA LEU A 20 15.495 13.603 -11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.699 14.910 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.952 14.557 -11.854 1.00 0.00 H new ATOM 0 HG LEU A 20 17.030 12.482 -13.854 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.429 11.709 -13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.280 13.365 -14.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.856 13.099 -12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.882 10.853 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.302 12.199 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.599 11.884 -11.507 1.00 0.00 H new ATOM 317 N GLN A 21 15.712 16.903 -11.975 1.00 0.00 N ATOM 318 CA GLN A 21 15.635 18.040 -11.056 1.00 0.00 C ATOM 319 C GLN A 21 14.274 18.132 -10.324 1.00 0.00 C ATOM 320 O GLN A 21 14.182 18.806 -9.299 1.00 0.00 O ATOM 321 CB GLN A 21 15.984 19.340 -11.810 1.00 0.00 C ATOM 322 CG GLN A 21 17.092 20.166 -11.133 1.00 0.00 C ATOM 323 CD GLN A 21 16.741 20.702 -9.749 1.00 0.00 C ATOM 324 OE1 GLN A 21 17.467 20.523 -8.783 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.635 21.390 -9.586 1.00 0.00 N ATOM 0 H GLN A 21 15.787 17.152 -12.961 1.00 0.00 H new ATOM 0 HA GLN A 21 16.371 17.886 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.297 19.089 -12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.087 19.953 -11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.986 19.548 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.344 21.007 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.014 21.552 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.397 21.763 -8.667 1.00 0.00 H new ATOM 334 N LEU A 22 13.242 17.422 -10.800 1.00 0.00 N ATOM 335 CA LEU A 22 12.023 17.114 -10.050 1.00 0.00 C ATOM 336 C LEU A 22 12.114 15.737 -9.359 1.00 0.00 C ATOM 337 O LEU A 22 11.863 15.653 -8.158 1.00 0.00 O ATOM 338 CB LEU A 22 10.824 17.249 -11.013 1.00 0.00 C ATOM 339 CG LEU A 22 9.457 17.378 -10.309 1.00 0.00 C ATOM 340 CD1 LEU A 22 8.466 18.142 -11.193 1.00 0.00 C ATOM 341 CD2 LEU A 22 8.821 16.025 -9.982 1.00 0.00 C ATOM 0 H LEU A 22 13.235 17.037 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 22 11.886 17.821 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.978 18.123 -11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.801 16.380 -11.670 1.00 0.00 H new ATOM 0 HG LEU A 22 9.657 17.910 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.508 18.223 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.854 19.140 -11.396 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.330 17.607 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.862 16.183 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.666 15.464 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.481 15.463 -9.321 1.00 0.00 H new ATOM 353 N LYS A 23 12.500 14.673 -10.084 1.00 0.00 N ATOM 354 CA LYS A 23 12.557 13.280 -9.630 1.00 0.00 C ATOM 355 C LYS A 23 13.538 13.089 -8.475 1.00 0.00 C ATOM 356 O LYS A 23 13.130 12.738 -7.381 1.00 0.00 O ATOM 357 CB LYS A 23 13.008 12.398 -10.802 1.00 0.00 C ATOM 358 CG LYS A 23 11.939 11.791 -11.712 1.00 0.00 C ATOM 359 CD LYS A 23 11.823 10.280 -11.472 1.00 0.00 C ATOM 360 CE LYS A 23 13.126 9.498 -11.715 1.00 0.00 C ATOM 361 NZ LYS A 23 13.153 8.254 -10.909 1.00 0.00 N ATOM 0 H LYS A 23 12.796 14.771 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 23 11.563 13.003 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.676 12.992 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.599 11.579 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.978 12.270 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.191 11.981 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.498 10.111 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.046 9.879 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.216 9.253 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.983 10.121 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.900 7.625 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.345 8.489 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.233 7.774 -10.980 1.00 0.00 H new ATOM 375 N GLU A 24 14.818 13.354 -8.733 1.00 0.00 N ATOM 376 CA GLU A 24 15.938 13.325 -7.780 1.00 0.00 C ATOM 377 C GLU A 24 15.566 13.926 -6.422 1.00 0.00 C ATOM 378 O GLU A 24 15.881 13.361 -5.384 1.00 0.00 O ATOM 379 CB GLU A 24 17.064 14.185 -8.377 1.00 0.00 C ATOM 380 CG GLU A 24 18.435 14.115 -7.700 1.00 0.00 C ATOM 381 CD GLU A 24 19.068 15.506 -7.796 1.00 0.00 C ATOM 382 OE1 GLU A 24 18.978 16.151 -8.870 1.00 0.00 O ATOM 383 OE2 GLU A 24 19.426 16.071 -6.741 1.00 0.00 O ATOM 0 H GLU A 24 15.125 13.611 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 24 16.229 12.287 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.189 13.900 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.736 15.224 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.333 13.811 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.066 13.372 -8.188 1.00 0.00 H new ATOM 390 N LYS A 25 14.886 15.077 -6.451 1.00 0.00 N ATOM 391 CA LYS A 25 14.417 15.840 -5.293 1.00 0.00 C ATOM 392 C LYS A 25 13.376 15.075 -4.472 1.00 0.00 C ATOM 393 O LYS A 25 13.531 14.900 -3.273 1.00 0.00 O ATOM 394 CB LYS A 25 13.883 17.187 -5.817 1.00 0.00 C ATOM 395 CG LYS A 25 14.702 18.378 -5.310 1.00 0.00 C ATOM 396 CD LYS A 25 16.213 18.359 -5.617 1.00 0.00 C ATOM 397 CE LYS A 25 16.530 18.077 -7.091 1.00 0.00 C ATOM 398 NZ LYS A 25 17.978 18.203 -7.368 1.00 0.00 N ATOM 0 H LYS A 25 14.635 15.525 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 25 15.240 16.011 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.894 17.180 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.844 17.307 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.279 19.288 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.575 18.443 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.646 19.320 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.693 17.601 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.195 17.073 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.976 18.771 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.218 17.653 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.216 19.203 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.519 17.842 -6.557 1.00 0.00 H new ATOM 412 N LEU A 26 12.337 14.594 -5.138 1.00 0.00 N ATOM 413 CA LEU A 26 11.274 13.737 -4.627 1.00 0.00 C ATOM 414 C LEU A 26 11.798 12.406 -4.057 1.00 0.00 C ATOM 415 O LEU A 26 11.496 12.036 -2.928 1.00 0.00 O ATOM 416 CB LEU A 26 10.320 13.525 -5.810 1.00 0.00 C ATOM 417 CG LEU A 26 9.155 14.508 -5.964 1.00 0.00 C ATOM 418 CD1 LEU A 26 7.987 14.160 -5.050 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.500 15.984 -5.730 1.00 0.00 C ATOM 0 H LEU A 26 12.204 14.809 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 26 10.770 14.204 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.909 13.555 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.904 12.520 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 26 8.886 14.394 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.185 14.884 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.622 13.161 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.317 14.186 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.606 16.592 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.878 16.113 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.262 16.297 -6.444 1.00 0.00 H new ATOM 431 N GLU A 27 12.595 11.679 -4.827 1.00 0.00 N ATOM 432 CA GLU A 27 13.326 10.490 -4.387 1.00 0.00 C ATOM 433 C GLU A 27 14.345 10.728 -3.257 1.00 0.00 C ATOM 434 O GLU A 27 14.574 9.822 -2.466 1.00 0.00 O ATOM 435 CB GLU A 27 14.017 9.896 -5.622 1.00 0.00 C ATOM 436 CG GLU A 27 13.176 8.800 -6.294 1.00 0.00 C ATOM 437 CD GLU A 27 13.431 8.738 -7.809 1.00 0.00 C ATOM 438 OE1 GLU A 27 12.975 9.641 -8.539 1.00 0.00 O ATOM 439 OE2 GLU A 27 14.048 7.785 -8.341 1.00 0.00 O ATOM 0 H GLU A 27 12.759 11.905 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 27 12.602 9.804 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.215 10.691 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.982 9.482 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.410 7.835 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.118 8.988 -6.110 1.00 0.00 H new ATOM 446 N HIS A 28 14.932 11.918 -3.124 1.00 0.00 N ATOM 447 CA HIS A 28 15.640 12.332 -1.905 1.00 0.00 C ATOM 448 C HIS A 28 14.676 12.520 -0.724 1.00 0.00 C ATOM 449 O HIS A 28 14.993 12.114 0.397 1.00 0.00 O ATOM 450 CB HIS A 28 16.434 13.621 -2.179 1.00 0.00 C ATOM 451 CG HIS A 28 17.087 14.287 -0.985 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.260 13.764 0.279 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.522 15.583 -0.947 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.803 14.718 1.053 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.993 15.840 0.345 1.00 0.00 N ATOM 0 H HIS A 28 14.932 12.626 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 28 16.334 11.539 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.211 13.393 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.762 14.342 -2.645 1.00 0.00 H new ATOM 0 HD1 HIS A 28 17.018 12.818 0.575 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.505 16.284 -1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.051 14.598 2.097 1.00 0.00 H new ATOM 463 N GLU A 29 13.526 13.151 -0.969 1.00 0.00 N ATOM 464 CA GLU A 29 12.504 13.489 0.037 1.00 0.00 C ATOM 465 C GLU A 29 12.004 12.249 0.779 1.00 0.00 C ATOM 466 O GLU A 29 11.702 12.286 1.976 1.00 0.00 O ATOM 467 CB GLU A 29 11.288 14.129 -0.662 1.00 0.00 C ATOM 468 CG GLU A 29 10.497 15.116 0.190 1.00 0.00 C ATOM 469 CD GLU A 29 11.302 16.302 0.715 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.572 17.239 -0.060 1.00 0.00 O ATOM 471 OE2 GLU A 29 11.510 16.309 1.953 1.00 0.00 O ATOM 0 H GLU A 29 13.266 13.454 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 29 12.966 14.173 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.633 14.643 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.616 13.335 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.662 15.495 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.071 14.581 1.039 1.00 0.00 H new ATOM 478 N PHE A 30 11.846 11.168 0.009 1.00 0.00 N ATOM 479 CA PHE A 30 11.343 9.868 0.450 1.00 0.00 C ATOM 480 C PHE A 30 11.697 8.721 -0.527 1.00 0.00 C ATOM 481 O PHE A 30 10.855 8.294 -1.326 1.00 0.00 O ATOM 482 CB PHE A 30 9.834 9.972 0.729 1.00 0.00 C ATOM 483 CG PHE A 30 9.078 11.074 -0.001 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.979 11.071 -1.402 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.519 12.139 0.731 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.330 12.124 -2.065 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.847 13.176 0.066 1.00 0.00 C ATOM 488 CZ PHE A 30 7.761 13.178 -1.333 1.00 0.00 C ATOM 0 H PHE A 30 12.077 11.178 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 30 11.848 9.601 1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.374 9.017 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.695 10.116 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.403 10.257 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.608 12.158 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.268 12.123 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.395 13.975 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.260 13.986 -1.845 1.00 0.00 H new ATOM 498 N PRO A 31 12.924 8.168 -0.459 1.00 0.00 N ATOM 499 CA PRO A 31 13.340 7.083 -1.343 1.00 0.00 C ATOM 500 C PRO A 31 12.599 5.784 -1.035 1.00 0.00 C ATOM 501 O PRO A 31 12.438 5.400 0.122 1.00 0.00 O ATOM 502 CB PRO A 31 14.846 6.912 -1.136 1.00 0.00 C ATOM 503 CG PRO A 31 15.100 7.504 0.251 1.00 0.00 C ATOM 504 CD PRO A 31 14.020 8.574 0.409 1.00 0.00 C ATOM 0 HA PRO A 31 13.104 7.324 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.138 5.863 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.416 7.435 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.023 6.744 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.099 7.934 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.691 8.646 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.399 9.556 0.126 1.00 0.00 H new ATOM 512 N GLY A 32 12.182 5.075 -2.085 1.00 0.00 N ATOM 513 CA GLY A 32 11.606 3.725 -2.039 1.00 0.00 C ATOM 514 C GLY A 32 10.201 3.602 -1.455 1.00 0.00 C ATOM 515 O GLY A 32 9.464 2.691 -1.824 1.00 0.00 O ATOM 0 H GLY A 32 12.238 5.441 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.590 3.327 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.274 3.089 -1.458 1.00 0.00 H new ATOM 519 N CYS A 33 9.772 4.548 -0.621 1.00 0.00 N ATOM 520 CA CYS A 33 8.363 4.744 -0.310 1.00 0.00 C ATOM 521 C CYS A 33 7.565 5.230 -1.531 1.00 0.00 C ATOM 522 O CYS A 33 6.333 5.181 -1.524 1.00 0.00 O ATOM 523 CB CYS A 33 8.199 5.706 0.861 1.00 0.00 C ATOM 524 SG CYS A 33 9.187 5.176 2.293 1.00 0.00 S ATOM 0 H CYS A 33 10.395 5.199 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 33 7.956 3.774 -0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.503 6.708 0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.148 5.764 1.143 1.00 0.00 H new ATOM 0 HG CYS A 33 9.024 6.020 3.269 1.00 0.00 H new ATOM 530 N LEU A 34 8.269 5.661 -2.579 1.00 0.00 N ATOM 531 CA LEU A 34 7.763 5.933 -3.899 1.00 0.00 C ATOM 532 C LEU A 34 8.552 5.171 -4.963 1.00 0.00 C ATOM 533 O LEU A 34 9.777 5.060 -4.914 1.00 0.00 O ATOM 534 CB LEU A 34 7.905 7.427 -4.193 1.00 0.00 C ATOM 535 CG LEU A 34 6.678 8.253 -3.825 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.498 8.567 -2.339 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.709 9.566 -4.593 1.00 0.00 C ATOM 0 H LEU A 34 9.271 5.836 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 34 6.720 5.619 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.766 7.813 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.114 7.559 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 34 5.831 7.623 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.593 9.158 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.413 7.636 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.359 9.130 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.833 10.160 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.612 10.118 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.704 9.361 -5.664 1.00 0.00 H new ATOM 549 N ASP A 35 7.807 4.814 -5.994 1.00 0.00 N ATOM 550 CA ASP A 35 8.210 4.679 -7.382 1.00 0.00 C ATOM 551 C ASP A 35 7.906 5.991 -8.107 1.00 0.00 C ATOM 552 O ASP A 35 6.857 6.610 -7.920 1.00 0.00 O ATOM 553 CB ASP A 35 7.372 3.552 -7.976 1.00 0.00 C ATOM 554 CG ASP A 35 7.125 3.592 -9.483 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.041 3.879 -10.281 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.954 3.409 -9.886 1.00 0.00 O ATOM 0 H ASP A 35 6.819 4.592 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 35 9.273 4.460 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.858 2.606 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.404 3.548 -7.474 1.00 0.00 H new ATOM 561 N ILE A 36 8.828 6.384 -8.971 1.00 0.00 N ATOM 562 CA ILE A 36 8.706 7.477 -9.924 1.00 0.00 C ATOM 563 C ILE A 36 9.463 7.124 -11.217 1.00 0.00 C ATOM 564 O ILE A 36 10.686 6.961 -11.263 1.00 0.00 O ATOM 565 CB ILE A 36 9.254 8.797 -9.370 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.971 9.100 -7.885 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.765 9.960 -10.267 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.656 10.383 -7.399 1.00 0.00 C ATOM 0 H ILE A 36 9.735 5.922 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 36 7.643 7.613 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 36 10.338 8.687 -9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.895 9.189 -7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.309 8.261 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.150 10.904 -9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.125 9.811 -11.285 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.675 9.986 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.421 10.545 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.735 10.287 -7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.300 11.230 -7.985 1.00 0.00 H new ATOM 580 N CYS A 37 8.718 7.093 -12.300 1.00 0.00 N ATOM 581 CA CYS A 37 9.169 6.918 -13.682 1.00 0.00 C ATOM 582 C CYS A 37 8.559 8.006 -14.573 1.00 0.00 C ATOM 583 O CYS A 37 8.059 9.011 -14.070 1.00 0.00 O ATOM 584 CB CYS A 37 8.905 5.461 -14.102 1.00 0.00 C ATOM 585 SG CYS A 37 10.019 4.985 -15.453 1.00 0.00 S ATOM 0 H CYS A 37 7.705 7.196 -12.244 1.00 0.00 H new ATOM 0 HA CYS A 37 10.244 7.062 -13.792 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.051 4.797 -13.250 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.868 5.349 -14.419 1.00 0.00 H new ATOM 0 HG CYS A 37 9.785 3.753 -15.794 1.00 0.00 H new ATOM 591 N GLY A 38 8.644 7.841 -15.886 1.00 0.00 N ATOM 592 CA GLY A 38 7.942 8.686 -16.849 1.00 0.00 C ATOM 593 C GLY A 38 8.036 8.241 -18.307 1.00 0.00 C ATOM 594 O GLY A 38 8.945 7.513 -18.697 1.00 0.00 O ATOM 0 H GLY A 38 9.208 7.110 -16.319 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.890 8.730 -16.568 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.335 9.700 -16.771 1.00 0.00 H new ATOM 598 N GLU A 39 7.118 8.742 -19.125 1.00 0.00 N ATOM 599 CA GLU A 39 6.851 8.419 -20.523 1.00 0.00 C ATOM 600 C GLU A 39 7.523 9.451 -21.445 1.00 0.00 C ATOM 601 O GLU A 39 6.928 10.001 -22.375 1.00 0.00 O ATOM 602 CB GLU A 39 5.327 8.326 -20.747 1.00 0.00 C ATOM 603 CG GLU A 39 4.541 7.469 -19.731 1.00 0.00 C ATOM 604 CD GLU A 39 3.997 8.237 -18.504 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.746 9.027 -17.882 1.00 0.00 O ATOM 606 OE2 GLU A 39 2.847 7.962 -18.103 1.00 0.00 O ATOM 0 H GLU A 39 6.475 9.460 -18.791 1.00 0.00 H new ATOM 0 HA GLU A 39 7.280 7.448 -20.772 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.916 9.336 -20.734 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.151 7.923 -21.744 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.703 7.000 -20.247 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.189 6.666 -19.379 1.00 0.00 H new ATOM 702 N PHE A 47 3.650 17.875 -24.153 1.00 0.00 N ATOM 703 CA PHE A 47 2.784 17.887 -22.964 1.00 0.00 C ATOM 704 C PHE A 47 3.487 17.236 -21.759 1.00 0.00 C ATOM 705 O PHE A 47 3.499 16.023 -21.621 1.00 0.00 O ATOM 706 CB PHE A 47 1.385 17.307 -23.252 1.00 0.00 C ATOM 707 CG PHE A 47 1.281 15.875 -23.755 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.485 15.592 -25.118 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.906 14.830 -22.887 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.341 14.284 -25.612 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.752 13.522 -23.380 1.00 0.00 C ATOM 712 CZ PHE A 47 0.976 13.245 -24.740 1.00 0.00 C ATOM 0 HA PHE A 47 2.606 18.927 -22.690 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.801 17.379 -22.334 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.904 17.952 -23.987 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.756 16.390 -25.793 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.736 15.034 -21.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.510 14.078 -26.659 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.460 12.726 -22.711 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.868 12.237 -25.113 1.00 0.00 H new ATOM 722 N PHE A 48 4.111 18.065 -20.914 1.00 0.00 N ATOM 723 CA PHE A 48 4.800 17.663 -19.679 1.00 0.00 C ATOM 724 C PHE A 48 3.762 17.455 -18.562 1.00 0.00 C ATOM 725 O PHE A 48 3.312 18.443 -17.967 1.00 0.00 O ATOM 726 CB PHE A 48 5.867 18.720 -19.306 1.00 0.00 C ATOM 727 CG PHE A 48 6.975 18.243 -18.376 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.688 17.894 -17.043 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.312 18.193 -18.823 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.715 17.482 -16.176 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.338 17.778 -17.959 1.00 0.00 C ATOM 732 CZ PHE A 48 9.040 17.418 -16.634 1.00 0.00 C ATOM 0 H PHE A 48 4.152 19.071 -21.076 1.00 0.00 H new ATOM 0 HA PHE A 48 5.322 16.717 -19.825 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.323 19.088 -20.225 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.365 19.566 -18.838 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.671 17.943 -16.683 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.548 18.476 -19.838 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.484 17.214 -15.156 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.357 17.735 -18.313 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.828 17.093 -15.970 1.00 0.00 H new ATOM 742 N GLU A 49 3.300 16.225 -18.319 1.00 0.00 N ATOM 743 CA GLU A 49 2.246 15.965 -17.338 1.00 0.00 C ATOM 744 C GLU A 49 2.645 14.911 -16.289 1.00 0.00 C ATOM 745 O GLU A 49 3.200 13.868 -16.631 1.00 0.00 O ATOM 746 CB GLU A 49 0.970 15.595 -18.093 1.00 0.00 C ATOM 747 CG GLU A 49 0.510 16.674 -19.088 1.00 0.00 C ATOM 748 CD GLU A 49 -0.965 16.541 -19.468 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.284 15.771 -20.398 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.797 17.304 -18.930 1.00 0.00 O ATOM 0 H GLU A 49 3.643 15.389 -18.793 1.00 0.00 H new ATOM 0 HA GLU A 49 2.072 16.869 -16.755 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.134 14.662 -18.632 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.172 15.412 -17.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.681 17.659 -18.653 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.119 16.613 -19.990 1.00 0.00 H new ATOM 757 N VAL A 50 2.385 15.195 -15.001 1.00 0.00 N ATOM 758 CA VAL A 50 2.915 14.404 -13.861 1.00 0.00 C ATOM 759 C VAL A 50 1.774 13.812 -13.038 1.00 0.00 C ATOM 760 O VAL A 50 0.887 14.545 -12.588 1.00 0.00 O ATOM 761 CB VAL A 50 3.829 15.239 -12.937 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.487 14.396 -11.835 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.941 15.967 -13.705 1.00 0.00 C ATOM 0 H VAL A 50 1.801 15.980 -14.714 1.00 0.00 H new ATOM 0 HA VAL A 50 3.514 13.603 -14.293 1.00 0.00 H new ATOM 0 HB VAL A 50 3.161 15.971 -12.484 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.118 15.034 -11.216 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.715 13.940 -11.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.096 13.615 -12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.552 16.538 -13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.565 15.237 -14.221 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.496 16.644 -14.435 1.00 0.00 H new ATOM 773 N THR A 51 1.804 12.493 -12.817 1.00 0.00 N ATOM 774 CA THR A 51 0.737 11.669 -12.271 1.00 0.00 C ATOM 775 C THR A 51 1.204 10.769 -11.119 1.00 0.00 C ATOM 776 O THR A 51 2.263 10.157 -11.197 1.00 0.00 O ATOM 777 CB THR A 51 0.250 10.749 -13.398 1.00 0.00 C ATOM 778 OG1 THR A 51 1.316 10.117 -14.076 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.605 11.485 -14.428 1.00 0.00 C ATOM 0 H THR A 51 2.635 11.942 -13.032 1.00 0.00 H new ATOM 0 HA THR A 51 -0.036 12.334 -11.885 1.00 0.00 H new ATOM 0 HB THR A 51 -0.359 9.995 -12.899 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.072 10.004 -13.463 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.923 10.787 -15.203 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.482 11.907 -13.938 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.021 12.287 -14.880 1.00 0.00 H new ATOM 787 N VAL A 52 0.388 10.603 -10.075 1.00 0.00 N ATOM 788 CA VAL A 52 0.618 9.763 -8.883 1.00 0.00 C ATOM 789 C VAL A 52 -0.601 8.882 -8.611 1.00 0.00 C ATOM 790 O VAL A 52 -1.718 9.378 -8.518 1.00 0.00 O ATOM 791 CB VAL A 52 0.990 10.635 -7.666 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.044 11.717 -7.334 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.178 9.806 -6.391 1.00 0.00 C ATOM 0 H VAL A 52 -0.512 11.081 -10.031 1.00 0.00 H new ATOM 0 HA VAL A 52 1.463 9.101 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 52 1.924 11.107 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.291 12.286 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.156 12.387 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.003 11.248 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.439 10.466 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.252 9.281 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.978 9.081 -6.543 1.00 0.00 H new ATOM 803 N ALA A 53 -0.418 7.562 -8.564 1.00 0.00 N ATOM 804 CA ALA A 53 -1.487 6.559 -8.432 1.00 0.00 C ATOM 805 C ALA A 53 -2.683 6.762 -9.406 1.00 0.00 C ATOM 806 O ALA A 53 -3.825 6.434 -9.087 1.00 0.00 O ATOM 807 CB ALA A 53 -1.908 6.478 -6.956 1.00 0.00 C ATOM 0 H ALA A 53 0.510 7.142 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.085 5.595 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.700 5.738 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.051 6.187 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.272 7.452 -6.627 1.00 0.00 H new ATOM 813 N GLY A 54 -2.444 7.346 -10.590 1.00 0.00 N ATOM 814 CA GLY A 54 -3.474 7.690 -11.581 1.00 0.00 C ATOM 815 C GLY A 54 -4.108 9.081 -11.411 1.00 0.00 C ATOM 816 O GLY A 54 -5.082 9.393 -12.091 1.00 0.00 O ATOM 0 H GLY A 54 -1.503 7.599 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.033 7.629 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.264 6.940 -11.536 1.00 0.00 H new ATOM 820 N LYS A 55 -3.598 9.922 -10.504 1.00 0.00 N ATOM 821 CA LYS A 55 -4.022 11.307 -10.232 1.00 0.00 C ATOM 822 C LYS A 55 -3.002 12.312 -10.769 1.00 0.00 C ATOM 823 O LYS A 55 -1.854 12.311 -10.333 1.00 0.00 O ATOM 824 CB LYS A 55 -4.220 11.529 -8.729 1.00 0.00 C ATOM 825 CG LYS A 55 -4.987 10.431 -7.979 1.00 0.00 C ATOM 826 CD LYS A 55 -6.412 10.237 -8.511 1.00 0.00 C ATOM 827 CE LYS A 55 -7.081 9.089 -7.753 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.428 8.796 -8.298 1.00 0.00 N ATOM 0 H LYS A 55 -2.827 9.638 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.971 11.465 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.239 11.639 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.747 12.473 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.441 9.491 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.030 10.682 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.987 11.154 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.388 10.018 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.458 8.197 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.162 9.346 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.856 8.013 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.028 9.641 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.346 8.527 -9.299 1.00 0.00 H new ATOM 842 N LEU A 56 -3.386 13.141 -11.736 1.00 0.00 N ATOM 843 CA LEU A 56 -2.554 14.253 -12.212 1.00 0.00 C ATOM 844 C LEU A 56 -2.354 15.294 -11.104 1.00 0.00 C ATOM 845 O LEU A 56 -3.295 15.648 -10.398 1.00 0.00 O ATOM 846 CB LEU A 56 -3.181 14.815 -13.500 1.00 0.00 C ATOM 847 CG LEU A 56 -2.447 16.016 -14.129 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.624 16.010 -15.649 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.972 17.365 -13.622 1.00 0.00 C ATOM 0 H LEU A 56 -4.283 13.064 -12.215 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.549 13.912 -12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.230 14.015 -14.238 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.207 15.112 -13.284 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.401 15.908 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.100 16.864 -16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.213 15.088 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.685 16.075 -15.892 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.418 18.174 -14.099 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.031 17.458 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.841 17.424 -12.542 1.00 0.00 H new ATOM 861 N VAL A 57 -1.121 15.788 -10.999 1.00 0.00 N ATOM 862 CA VAL A 57 -0.700 16.859 -10.069 1.00 0.00 C ATOM 863 C VAL A 57 -0.104 18.062 -10.808 1.00 0.00 C ATOM 864 O VAL A 57 -0.067 19.175 -10.275 1.00 0.00 O ATOM 865 CB VAL A 57 0.324 16.358 -9.026 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.248 17.199 -7.743 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.127 14.897 -8.613 1.00 0.00 C ATOM 0 H VAL A 57 -0.352 15.447 -11.576 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.608 17.171 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 57 1.291 16.453 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.977 16.829 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.466 18.241 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.753 17.124 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.884 14.621 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.864 14.773 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.220 14.255 -9.489 1.00 0.00 H new ATOM 877 N HIS A 58 0.353 17.835 -12.041 1.00 0.00 N ATOM 878 CA HIS A 58 0.960 18.826 -12.925 1.00 0.00 C ATOM 879 C HIS A 58 0.527 18.634 -14.372 1.00 0.00 C ATOM 880 O HIS A 58 0.327 17.511 -14.830 1.00 0.00 O ATOM 881 CB HIS A 58 2.463 18.623 -12.891 1.00 0.00 C ATOM 882 CG HIS A 58 3.299 19.675 -13.569 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.638 20.902 -13.058 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.003 19.500 -14.732 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.614 21.396 -13.834 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.827 20.615 -14.899 1.00 0.00 N ATOM 0 H HIS A 58 0.307 16.910 -12.469 1.00 0.00 H new ATOM 0 HA HIS A 58 0.654 19.815 -12.585 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.775 18.559 -11.849 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.688 17.660 -13.351 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.226 21.354 -12.242 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.933 18.653 -15.399 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.157 22.306 -13.626 1.00 0.00 H new ATOM 894 N SER A 59 0.509 19.726 -15.125 1.00 0.00 N ATOM 895 CA SER A 59 0.282 19.729 -16.561 1.00 0.00 C ATOM 896 C SER A 59 0.808 20.991 -17.252 1.00 0.00 C ATOM 897 O SER A 59 0.275 22.089 -17.045 1.00 0.00 O ATOM 898 CB SER A 59 -1.215 19.747 -16.797 1.00 0.00 C ATOM 899 OG SER A 59 -1.482 19.679 -18.178 1.00 0.00 O ATOM 0 H SER A 59 0.656 20.659 -14.741 1.00 0.00 H new ATOM 0 HA SER A 59 0.794 18.854 -16.961 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.683 18.906 -16.285 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.647 20.656 -16.378 1.00 0.00 H new ATOM 0 HG SER A 59 -1.332 18.764 -18.496 1.00 0.00 H new ATOM 905 N LYS A 60 1.775 20.885 -18.162 1.00 0.00 N ATOM 906 CA LYS A 60 2.088 22.009 -19.053 1.00 0.00 C ATOM 907 C LYS A 60 1.001 22.331 -20.083 1.00 0.00 C ATOM 908 O LYS A 60 0.957 23.490 -20.485 1.00 0.00 O ATOM 909 CB LYS A 60 3.452 21.788 -19.722 1.00 0.00 C ATOM 910 CG LYS A 60 4.572 22.539 -18.981 1.00 0.00 C ATOM 911 CD LYS A 60 4.855 23.960 -19.506 1.00 0.00 C ATOM 912 CE LYS A 60 3.642 24.904 -19.561 1.00 0.00 C ATOM 913 NZ LYS A 60 4.003 26.273 -20.020 1.00 0.00 N ATOM 0 H LYS A 60 2.347 20.052 -18.303 1.00 0.00 H new ATOM 0 HA LYS A 60 2.132 22.894 -18.418 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.680 20.722 -19.743 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.409 22.126 -20.758 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.310 22.603 -17.925 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.489 21.953 -19.048 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.618 24.415 -18.875 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.276 23.880 -20.508 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.891 24.486 -20.232 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.188 24.964 -18.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.151 26.869 -20.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.699 26.686 -19.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.412 26.222 -20.975 1.00 0.00 H new ATOM 927 N LYS A 61 0.116 21.402 -20.469 1.00 0.00 N ATOM 928 CA LYS A 61 -0.991 21.720 -21.400 1.00 0.00 C ATOM 929 C LYS A 61 -2.174 22.426 -20.717 1.00 0.00 C ATOM 930 O LYS A 61 -2.797 23.274 -21.342 1.00 0.00 O ATOM 931 CB LYS A 61 -1.400 20.498 -22.249 1.00 0.00 C ATOM 932 CG LYS A 61 -2.381 19.529 -21.576 1.00 0.00 C ATOM 933 CD LYS A 61 -2.517 18.220 -22.366 1.00 0.00 C ATOM 934 CE LYS A 61 -3.568 17.315 -21.710 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.347 15.892 -22.057 1.00 0.00 N ATOM 0 H LYS A 61 0.138 20.431 -20.158 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.605 22.457 -22.104 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.847 20.855 -23.177 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.499 19.947 -22.520 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.040 19.310 -20.564 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.358 20.004 -21.487 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.803 18.436 -23.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.556 17.707 -22.403 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.531 17.437 -20.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.564 17.619 -22.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.130 15.318 -21.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.305 15.789 -23.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.451 15.568 -21.640 1.00 0.00 H new ATOM 949 N ARG A 62 -2.450 22.146 -19.431 1.00 0.00 N ATOM 950 CA ARG A 62 -3.537 22.792 -18.668 1.00 0.00 C ATOM 951 C ARG A 62 -3.177 24.174 -18.120 1.00 0.00 C ATOM 952 O ARG A 62 -4.066 24.937 -17.753 1.00 0.00 O ATOM 953 CB ARG A 62 -4.053 21.822 -17.585 1.00 0.00 C ATOM 954 CG ARG A 62 -3.591 22.054 -16.135 1.00 0.00 C ATOM 955 CD ARG A 62 -4.495 22.995 -15.347 1.00 0.00 C ATOM 956 NE ARG A 62 -3.692 23.903 -14.509 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.811 25.216 -14.393 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.567 25.936 -15.178 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.129 25.844 -13.480 1.00 0.00 N ATOM 0 H ARG A 62 -1.924 21.462 -18.888 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.351 23.000 -19.363 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.142 21.854 -17.599 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.760 20.812 -17.872 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.543 21.094 -15.620 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.580 22.460 -16.146 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.112 23.575 -16.033 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.173 22.416 -14.720 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.957 23.468 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.101 25.488 -15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.624 26.946 -15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.508 25.324 -12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.215 26.856 -13.385 1.00 0.00 H new ATOM 973 N GLY A 63 -1.881 24.476 -18.027 1.00 0.00 N ATOM 974 CA GLY A 63 -1.367 25.751 -17.525 1.00 0.00 C ATOM 975 C GLY A 63 -0.781 25.667 -16.118 1.00 0.00 C ATOM 976 O GLY A 63 -0.792 26.663 -15.405 1.00 0.00 O ATOM 0 H GLY A 63 -1.144 23.827 -18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.599 26.117 -18.207 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.173 26.484 -17.530 1.00 0.00 H new ATOM 980 N ASP A 64 -0.299 24.494 -15.693 1.00 0.00 N ATOM 981 CA ASP A 64 0.438 24.368 -14.428 1.00 0.00 C ATOM 982 C ASP A 64 1.840 24.999 -14.536 1.00 0.00 C ATOM 983 O ASP A 64 2.192 25.877 -13.750 1.00 0.00 O ATOM 984 CB ASP A 64 0.486 22.891 -14.008 1.00 0.00 C ATOM 985 CG ASP A 64 0.466 22.717 -12.485 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.648 22.798 -11.919 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.520 22.417 -11.877 1.00 0.00 O ATOM 0 H ASP A 64 -0.405 23.618 -16.205 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.084 24.922 -13.647 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.364 22.364 -14.443 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.387 22.430 -14.412 1.00 0.00 H new ATOM 992 N GLY A 65 2.609 24.615 -15.567 1.00 0.00 N ATOM 993 CA GLY A 65 3.973 25.096 -15.827 1.00 0.00 C ATOM 994 C GLY A 65 5.015 24.678 -14.781 1.00 0.00 C ATOM 995 O GLY A 65 4.688 24.446 -13.621 1.00 0.00 O ATOM 0 H GLY A 65 2.288 23.941 -16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.292 24.730 -16.803 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.954 26.184 -15.885 1.00 0.00 H new ATOM 999 N TYR A 66 6.282 24.622 -15.199 1.00 0.00 N ATOM 1000 CA TYR A 66 7.449 24.168 -14.426 1.00 0.00 C ATOM 1001 C TYR A 66 7.687 24.940 -13.114 1.00 0.00 C ATOM 1002 O TYR A 66 6.907 25.821 -12.755 1.00 0.00 O ATOM 1003 CB TYR A 66 8.697 24.248 -15.314 1.00 0.00 C ATOM 1004 CG TYR A 66 8.523 23.757 -16.739 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.295 22.391 -16.996 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.604 24.670 -17.808 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.159 21.937 -18.321 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.468 24.219 -19.134 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.247 22.850 -19.393 1.00 0.00 C ATOM 1010 OH TYR A 66 8.108 22.428 -20.677 1.00 0.00 O ATOM 0 H TYR A 66 6.540 24.909 -16.143 1.00 0.00 H new ATOM 0 HA TYR A 66 7.240 23.141 -14.125 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.033 25.285 -15.345 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.492 23.669 -14.844 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.225 21.692 -16.176 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.771 25.718 -17.610 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.987 20.889 -18.517 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.533 24.920 -19.953 1.00 0.00 H new ATOM 0 HH TYR A 66 8.197 23.192 -21.284 1.00 0.00 H new ATOM 1020 N VAL A 67 8.739 24.603 -12.359 1.00 0.00 N ATOM 1021 CA VAL A 67 8.975 25.228 -11.045 1.00 0.00 C ATOM 1022 C VAL A 67 9.562 26.636 -11.137 1.00 0.00 C ATOM 1023 O VAL A 67 10.701 26.929 -10.792 1.00 0.00 O ATOM 1024 CB VAL A 67 9.707 24.351 -10.039 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.862 23.099 -9.751 1.00 0.00 C ATOM 1026 CG2 VAL A 67 11.116 23.875 -10.433 1.00 0.00 C ATOM 0 H VAL A 67 9.436 23.909 -12.628 1.00 0.00 H new ATOM 0 HA VAL A 67 7.973 25.340 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 67 9.843 25.000 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.382 22.467 -9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.897 23.398 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.708 22.544 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.529 23.260 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.059 23.288 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.760 24.739 -10.595 1.00 0.00 H new ATOM 1036 N ASP A 68 8.679 27.531 -11.534 1.00 0.00 N ATOM 1037 CA ASP A 68 8.862 28.967 -11.664 1.00 0.00 C ATOM 1038 C ASP A 68 8.996 29.635 -10.286 1.00 0.00 C ATOM 1039 O ASP A 68 9.450 30.769 -10.156 1.00 0.00 O ATOM 1040 CB ASP A 68 7.639 29.523 -12.374 1.00 0.00 C ATOM 1041 CG ASP A 68 7.370 29.006 -13.796 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.308 28.622 -14.528 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.157 28.930 -14.112 1.00 0.00 O ATOM 0 H ASP A 68 7.734 27.250 -11.797 1.00 0.00 H new ATOM 0 HA ASP A 68 9.774 29.170 -12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.763 29.307 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.736 30.608 -12.419 1.00 0.00 H new ATOM 1048 N THR A 69 8.567 28.935 -9.229 1.00 0.00 N ATOM 1049 CA THR A 69 8.747 29.367 -7.851 1.00 0.00 C ATOM 1050 C THR A 69 8.987 28.175 -6.939 1.00 0.00 C ATOM 1051 O THR A 69 8.471 27.079 -7.161 1.00 0.00 O ATOM 1052 CB THR A 69 7.512 30.124 -7.329 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.506 30.328 -8.295 1.00 0.00 O ATOM 1054 CG2 THR A 69 7.890 31.494 -6.776 1.00 0.00 C ATOM 0 H THR A 69 8.080 28.043 -9.315 1.00 0.00 H new ATOM 0 HA THR A 69 9.612 30.031 -7.842 1.00 0.00 H new ATOM 0 HB THR A 69 7.116 29.474 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.756 30.812 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.995 32.001 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.594 31.372 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.352 32.089 -7.563 1.00 0.00 H new ATOM 1062 N GLU A 70 9.622 28.461 -5.806 1.00 0.00 N ATOM 1063 CA GLU A 70 9.698 27.611 -4.614 1.00 0.00 C ATOM 1064 C GLU A 70 8.341 27.014 -4.278 1.00 0.00 C ATOM 1065 O GLU A 70 8.119 25.807 -4.283 1.00 0.00 O ATOM 1066 CB GLU A 70 10.177 28.528 -3.475 1.00 0.00 C ATOM 1067 CG GLU A 70 10.485 27.818 -2.153 1.00 0.00 C ATOM 1068 CD GLU A 70 9.208 27.462 -1.380 1.00 0.00 C ATOM 1069 OE1 GLU A 70 8.303 28.319 -1.262 1.00 0.00 O ATOM 1070 OE2 GLU A 70 9.056 26.307 -0.947 1.00 0.00 O ATOM 0 H GLU A 70 10.126 29.339 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 70 10.376 26.772 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.074 29.053 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.414 29.285 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.053 26.909 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.116 28.458 -1.536 1.00 0.00 H new ATOM 1077 N SER A 71 7.405 27.931 -4.105 1.00 0.00 N ATOM 1078 CA SER A 71 6.020 27.635 -3.748 1.00 0.00 C ATOM 1079 C SER A 71 5.352 26.691 -4.753 1.00 0.00 C ATOM 1080 O SER A 71 4.527 25.859 -4.372 1.00 0.00 O ATOM 1081 CB SER A 71 5.243 28.949 -3.662 1.00 0.00 C ATOM 1082 OG SER A 71 4.214 28.873 -2.691 1.00 0.00 O ATOM 0 H SER A 71 7.587 28.929 -4.211 1.00 0.00 H new ATOM 0 HA SER A 71 6.015 27.126 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.924 29.762 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.812 29.184 -4.635 1.00 0.00 H new ATOM 0 HG SER A 71 3.734 29.727 -2.655 1.00 0.00 H new ATOM 1088 N LYS A 72 5.747 26.772 -6.034 1.00 0.00 N ATOM 1089 CA LYS A 72 5.237 25.872 -7.071 1.00 0.00 C ATOM 1090 C LYS A 72 5.808 24.457 -6.960 1.00 0.00 C ATOM 1091 O LYS A 72 5.069 23.486 -7.114 1.00 0.00 O ATOM 1092 CB LYS A 72 5.391 26.428 -8.496 1.00 0.00 C ATOM 1093 CG LYS A 72 4.148 25.946 -9.273 1.00 0.00 C ATOM 1094 CD LYS A 72 4.290 25.943 -10.788 1.00 0.00 C ATOM 1095 CE LYS A 72 4.524 27.339 -11.362 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.519 27.253 -12.833 1.00 0.00 N ATOM 0 H LYS A 72 6.422 27.457 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 72 4.166 25.805 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.448 27.516 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.308 26.064 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.904 24.935 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.303 26.581 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.120 25.295 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.390 25.518 -11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.747 28.023 -11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.476 27.737 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.761 28.181 -13.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.218 26.548 -13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.574 26.969 -13.161 1.00 0.00 H new ATOM 1110 N PHE A 73 7.099 24.342 -6.646 1.00 0.00 N ATOM 1111 CA PHE A 73 7.723 23.061 -6.291 1.00 0.00 C ATOM 1112 C PHE A 73 7.033 22.467 -5.051 1.00 0.00 C ATOM 1113 O PHE A 73 6.492 21.359 -5.094 1.00 0.00 O ATOM 1114 CB PHE A 73 9.238 23.274 -6.106 1.00 0.00 C ATOM 1115 CG PHE A 73 10.032 22.075 -5.628 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.031 20.870 -6.359 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.807 22.179 -4.456 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.790 19.773 -5.910 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.570 21.087 -4.011 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.552 19.883 -4.731 1.00 0.00 C ATOM 0 H PHE A 73 7.744 25.132 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 73 7.595 22.331 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.656 23.604 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.385 24.087 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.448 20.788 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.814 23.103 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.788 18.849 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.169 21.174 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.125 19.037 -4.380 1.00 0.00 H new ATOM 1130 N ARG A 74 6.955 23.249 -3.968 1.00 0.00 N ATOM 1131 CA ARG A 74 6.384 22.892 -2.665 1.00 0.00 C ATOM 1132 C ARG A 74 4.933 22.435 -2.739 1.00 0.00 C ATOM 1133 O ARG A 74 4.558 21.555 -1.974 1.00 0.00 O ATOM 1134 CB ARG A 74 6.556 24.082 -1.703 1.00 0.00 C ATOM 1135 CG ARG A 74 6.100 23.775 -0.262 1.00 0.00 C ATOM 1136 CD ARG A 74 6.668 24.742 0.791 1.00 0.00 C ATOM 1137 NE ARG A 74 6.632 26.151 0.367 1.00 0.00 N ATOM 1138 CZ ARG A 74 5.609 26.961 0.202 1.00 0.00 C ATOM 1139 NH1 ARG A 74 4.393 26.622 0.523 1.00 0.00 N ATOM 1140 NH2 ARG A 74 5.780 28.128 -0.330 1.00 0.00 N ATOM 0 H ARG A 74 7.310 24.205 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 74 6.930 22.027 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.604 24.380 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.988 24.932 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.011 23.808 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.398 22.758 -0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.102 24.634 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.698 24.463 1.013 1.00 0.00 H new ATOM 0 HE ARG A 74 7.544 26.564 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.208 25.700 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.626 27.279 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.711 28.423 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.984 28.753 -0.456 1.00 0.00 H new ATOM 1154 N LYS A 75 4.131 22.940 -3.675 1.00 0.00 N ATOM 1155 CA LYS A 75 2.757 22.495 -3.950 1.00 0.00 C ATOM 1156 C LYS A 75 2.698 21.011 -4.313 1.00 0.00 C ATOM 1157 O LYS A 75 1.770 20.316 -3.913 1.00 0.00 O ATOM 1158 CB LYS A 75 2.166 23.440 -5.020 1.00 0.00 C ATOM 1159 CG LYS A 75 0.934 22.982 -5.830 1.00 0.00 C ATOM 1160 CD LYS A 75 1.266 22.269 -7.162 1.00 0.00 C ATOM 1161 CE LYS A 75 0.095 22.448 -8.152 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.330 21.838 -9.489 1.00 0.00 N ATOM 0 H LYS A 75 4.427 23.699 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 75 2.138 22.563 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.904 24.375 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.960 23.668 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.339 22.310 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.313 23.852 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.181 22.680 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.446 21.209 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.804 22.010 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.099 23.513 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.345 22.233 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.300 22.046 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.199 20.808 -9.428 1.00 0.00 H new ATOM 1176 N LEU A 76 3.723 20.512 -5.001 1.00 0.00 N ATOM 1177 CA LEU A 76 3.839 19.105 -5.387 1.00 0.00 C ATOM 1178 C LEU A 76 4.543 18.292 -4.308 1.00 0.00 C ATOM 1179 O LEU A 76 4.034 17.255 -3.888 1.00 0.00 O ATOM 1180 CB LEU A 76 4.536 19.055 -6.764 1.00 0.00 C ATOM 1181 CG LEU A 76 4.168 17.836 -7.632 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.306 18.189 -9.114 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.054 16.622 -7.362 1.00 0.00 C ATOM 0 H LEU A 76 4.510 21.082 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 76 2.858 18.640 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.288 19.963 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.615 19.061 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 76 3.141 17.580 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.044 17.322 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.638 19.016 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.335 18.481 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.745 15.797 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.093 16.876 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.957 16.326 -6.318 1.00 0.00 H new ATOM 1195 N VAL A 77 5.644 18.817 -3.773 1.00 0.00 N ATOM 1196 CA VAL A 77 6.368 18.154 -2.669 1.00 0.00 C ATOM 1197 C VAL A 77 5.454 17.912 -1.474 1.00 0.00 C ATOM 1198 O VAL A 77 5.432 16.821 -0.909 1.00 0.00 O ATOM 1199 CB VAL A 77 7.609 18.954 -2.229 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.338 18.317 -1.042 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.626 19.075 -3.360 1.00 0.00 C ATOM 0 H VAL A 77 6.060 19.697 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 77 6.706 17.191 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 77 7.224 19.932 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.203 18.925 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.662 18.258 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.669 17.314 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.488 19.645 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.948 18.080 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.169 19.586 -4.207 1.00 0.00 H new ATOM 1211 N THR A 78 4.630 18.900 -1.130 1.00 0.00 N ATOM 1212 CA THR A 78 3.688 18.793 -0.022 1.00 0.00 C ATOM 1213 C THR A 78 2.636 17.738 -0.282 1.00 0.00 C ATOM 1214 O THR A 78 2.335 16.956 0.618 1.00 0.00 O ATOM 1215 CB THR A 78 3.026 20.140 0.315 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.012 21.107 0.577 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.150 20.080 1.564 1.00 0.00 C ATOM 0 H THR A 78 4.598 19.798 -1.613 1.00 0.00 H new ATOM 0 HA THR A 78 4.272 18.487 0.846 1.00 0.00 H new ATOM 0 HB THR A 78 2.411 20.390 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.164 21.646 -0.227 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.712 21.061 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.355 19.349 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.757 19.787 2.421 1.00 0.00 H new ATOM 1225 N ALA A 79 2.124 17.653 -1.510 1.00 0.00 N ATOM 1226 CA ALA A 79 1.039 16.721 -1.793 1.00 0.00 C ATOM 1227 C ALA A 79 1.512 15.273 -1.826 1.00 0.00 C ATOM 1228 O ALA A 79 0.821 14.367 -1.362 1.00 0.00 O ATOM 1229 CB ALA A 79 0.332 17.135 -3.088 1.00 0.00 C ATOM 0 H ALA A 79 2.437 18.206 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 79 0.319 16.771 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.479 16.438 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.074 18.140 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.045 17.122 -3.912 1.00 0.00 H new ATOM 1235 N ILE A 80 2.745 15.075 -2.276 1.00 0.00 N ATOM 1236 CA ILE A 80 3.341 13.747 -2.317 1.00 0.00 C ATOM 1237 C ILE A 80 3.805 13.329 -0.917 1.00 0.00 C ATOM 1238 O ILE A 80 3.684 12.156 -0.574 1.00 0.00 O ATOM 1239 CB ILE A 80 4.460 13.712 -3.371 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.967 14.039 -4.804 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.130 12.335 -3.377 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.985 13.046 -5.438 1.00 0.00 C ATOM 0 H ILE A 80 3.352 15.820 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 80 2.598 13.010 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 80 5.170 14.489 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.494 15.021 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.838 14.118 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.921 12.319 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.557 12.134 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.390 11.571 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.717 13.387 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.452 12.063 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.087 12.980 -4.824 1.00 0.00 H new ATOM 1254 N LYS A 81 4.238 14.267 -0.061 1.00 0.00 N ATOM 1255 CA LYS A 81 4.630 13.953 1.325 1.00 0.00 C ATOM 1256 C LYS A 81 3.408 13.608 2.167 1.00 0.00 C ATOM 1257 O LYS A 81 3.464 12.727 3.017 1.00 0.00 O ATOM 1258 CB LYS A 81 5.337 15.166 1.941 1.00 0.00 C ATOM 1259 CG LYS A 81 6.130 14.790 3.206 1.00 0.00 C ATOM 1260 CD LYS A 81 7.035 15.940 3.669 1.00 0.00 C ATOM 1261 CE LYS A 81 8.305 16.057 2.812 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.486 15.416 3.449 1.00 0.00 N ATOM 0 H LYS A 81 4.326 15.254 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 81 5.300 13.094 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.013 15.604 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.599 15.929 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.437 14.527 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.737 13.907 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.481 16.877 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.314 15.784 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.127 15.597 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.521 17.110 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.345 15.666 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.575 15.749 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.365 14.383 3.444 1.00 0.00 H new ATOM 1276 N ALA A 82 2.309 14.308 1.908 1.00 0.00 N ATOM 1277 CA ALA A 82 0.991 14.060 2.488 1.00 0.00 C ATOM 1278 C ALA A 82 0.455 12.681 2.076 1.00 0.00 C ATOM 1279 O ALA A 82 0.157 11.858 2.939 1.00 0.00 O ATOM 1280 CB ALA A 82 0.037 15.193 2.090 1.00 0.00 C ATOM 0 H ALA A 82 2.311 15.097 1.261 1.00 0.00 H new ATOM 0 HA ALA A 82 1.072 14.048 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.947 15.009 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.424 16.142 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.046 15.234 1.004 1.00 0.00 H new ATOM 1286 N ALA A 83 0.402 12.402 0.769 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.062 11.118 0.234 1.00 0.00 C ATOM 1288 C ALA A 83 0.786 9.938 0.719 1.00 0.00 C ATOM 1289 O ALA A 83 0.274 8.858 1.023 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.090 11.193 -1.298 1.00 0.00 C ATOM 0 H ALA A 83 0.682 13.066 0.047 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.069 10.936 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.434 10.241 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.768 11.987 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.912 11.404 -1.670 1.00 0.00 H new ATOM 1296 N LEU A 84 2.087 10.177 0.863 1.00 0.00 N ATOM 1297 CA LEU A 84 3.019 9.256 1.503 1.00 0.00 C ATOM 1298 C LEU A 84 2.642 8.999 2.956 1.00 0.00 C ATOM 1299 O LEU A 84 2.402 7.858 3.335 1.00 0.00 O ATOM 1300 CB LEU A 84 4.436 9.822 1.402 1.00 0.00 C ATOM 1301 CG LEU A 84 5.463 9.073 2.258 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.518 7.571 1.978 1.00 0.00 C ATOM 1303 CD2 LEU A 84 6.835 9.642 1.969 1.00 0.00 C ATOM 0 H LEU A 84 2.530 11.034 0.531 1.00 0.00 H new ATOM 0 HA LEU A 84 2.973 8.297 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.755 9.794 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.421 10.870 1.702 1.00 0.00 H new ATOM 0 HG LEU A 84 5.160 9.204 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.267 7.108 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.543 7.127 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.783 7.405 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.579 9.120 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.067 9.513 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.848 10.703 2.216 1.00 0.00 H new ATOM 1315 N ALA A 85 2.586 10.054 3.759 1.00 0.00 N ATOM 1316 CA ALA A 85 2.263 9.966 5.188 1.00 0.00 C ATOM 1317 C ALA A 85 0.916 9.278 5.488 1.00 0.00 C ATOM 1318 O ALA A 85 0.729 8.731 6.571 1.00 0.00 O ATOM 1319 CB ALA A 85 2.338 11.365 5.809 1.00 0.00 C ATOM 0 H ALA A 85 2.764 11.006 3.439 1.00 0.00 H new ATOM 0 HA ALA A 85 3.008 9.317 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.099 11.305 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.345 11.764 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.624 12.022 5.313 1.00 0.00 H new ATOM 1325 N GLN A 86 0.015 9.235 4.507 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.231 8.463 4.510 1.00 0.00 C ATOM 1327 C GLN A 86 -0.992 6.994 4.145 1.00 0.00 C ATOM 1328 O GLN A 86 -1.434 6.084 4.847 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.254 9.125 3.570 1.00 0.00 C ATOM 1330 CG GLN A 86 -2.726 10.487 4.107 1.00 0.00 C ATOM 1331 CD GLN A 86 -3.587 11.235 3.094 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.157 11.611 2.018 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.842 11.499 3.391 1.00 0.00 N ATOM 0 H GLN A 86 0.139 9.764 3.644 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.637 8.465 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.809 9.258 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.113 8.466 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.294 10.337 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -1.859 11.095 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.229 11.196 4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.427 12.006 2.727 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.228 6.756 3.083 1.00 0.00 N ATOM 1343 CA CYS A 87 0.251 5.430 2.679 1.00 0.00 C ATOM 1344 C CYS A 87 1.101 4.718 3.747 1.00 0.00 C ATOM 1345 O CYS A 87 1.184 3.494 3.770 1.00 0.00 O ATOM 1346 CB CYS A 87 1.046 5.563 1.381 1.00 0.00 C ATOM 1347 SG CYS A 87 1.040 3.943 0.555 1.00 0.00 S ATOM 0 H CYS A 87 0.086 7.499 2.459 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.631 4.805 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.601 6.322 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.067 5.881 1.590 1.00 0.00 H new ATOM 0 HG CYS A 87 1.404 4.087 -0.685 1.00 0.00 H new ATOM 1353 N GLN A 88 1.712 5.473 4.655 1.00 0.00 N ATOM 1354 CA GLN A 88 2.448 4.926 5.801 1.00 0.00 C ATOM 1355 C GLN A 88 1.560 4.285 6.892 1.00 0.00 C ATOM 1356 O GLN A 88 2.097 3.634 7.787 1.00 0.00 O ATOM 1357 CB GLN A 88 3.390 5.999 6.371 1.00 0.00 C ATOM 1358 CG GLN A 88 4.607 6.206 5.450 1.00 0.00 C ATOM 1359 CD GLN A 88 5.678 7.106 6.056 1.00 0.00 C ATOM 1360 OE1 GLN A 88 6.011 8.167 5.555 1.00 0.00 O ATOM 1361 NE2 GLN A 88 6.281 6.705 7.154 1.00 0.00 N ATOM 0 H GLN A 88 1.713 6.492 4.620 1.00 0.00 H new ATOM 0 HA GLN A 88 3.038 4.090 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.851 6.939 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.727 5.703 7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.047 5.236 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.271 6.638 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.016 5.821 7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.014 7.279 7.572 1.00 0.00 H new